SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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/IRES_00-0f0ac76e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES_00-0f0ac76e/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: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -891.496072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.496072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.496072 (E_RNA)
where:
Base-Base interactions energy: -449.601
where: short stacking energy: -313.307
Base-Backbone interact. energy: -2.066
local terms energy: -439.828580
where:
bonds (distance) C4'-P energy: -103.090
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -99.646
flat angles P-C4'-P energy: -66.651
tors. eta vs tors. theta energy: -45.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -855.095885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.095885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.095885 (E_RNA)
where:
Base-Base interactions energy: -424.662
where: short stacking energy: -268.039
Base-Backbone interact. energy: -0.213
local terms energy: -430.220026
where:
bonds (distance) C4'-P energy: -114.099
bonds (distance) P-C4' energy: -114.295
flat angles C4'-P-C4' energy: -110.411
flat angles P-C4'-P energy: -52.397
tors. eta vs tors. theta energy: -39.017
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: 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: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1425.695530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.695530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.695530 (E_RNA)
where:
Base-Base interactions energy: -818.602
where: short stacking energy: -518.749
Base-Backbone interact. energy: 1.025
local terms energy: -608.118061
where:
bonds (distance) C4'-P energy: -130.593
bonds (distance) P-C4' energy: -123.312
flat angles C4'-P-C4' energy: -130.649
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -129.079
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: 10
Temperature: 0.950000
Total energy: -1442.129695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.129695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.129695 (E_RNA)
where:
Base-Base interactions energy: -833.667
where: short stacking energy: -477.069
Base-Backbone interact. energy: 0.283
local terms energy: -608.745621
where:
bonds (distance) C4'-P energy: -133.491
bonds (distance) P-C4' energy: -133.708
flat angles C4'-P-C4' energy: -138.890
flat angles P-C4'-P energy: -87.156
tors. eta vs tors. theta energy: -115.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -949.255262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.255262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.255262 (E_RNA)
where:
Base-Base interactions energy: -482.796
where: short stacking energy: -308.752
Base-Backbone interact. energy: -2.570
local terms energy: -463.889331
where:
bonds (distance) C4'-P energy: -128.053
bonds (distance) P-C4' energy: -99.177
flat angles C4'-P-C4' energy: -126.164
flat angles P-C4'-P energy: -67.894
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -823.655739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.655739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.655739 (E_RNA)
where:
Base-Base interactions energy: -410.951
where: short stacking energy: -252.662
Base-Backbone interact. energy: -0.850
local terms energy: -411.854277
where:
bonds (distance) C4'-P energy: -110.459
bonds (distance) P-C4' energy: -104.925
flat angles C4'-P-C4' energy: -107.941
flat angles P-C4'-P energy: -67.545
tors. eta vs tors. theta energy: -20.983
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: 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: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -683.517612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.517612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.517612 (E_RNA)
where:
Base-Base interactions energy: -303.845
where: short stacking energy: -221.852
Base-Backbone interact. energy: 1.980
local terms energy: -381.652718
where:
bonds (distance) C4'-P energy: -99.681
bonds (distance) P-C4' energy: -113.138
flat angles C4'-P-C4' energy: -102.381
flat angles P-C4'-P energy: -65.648
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -507.742398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.742398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.742398 (E_RNA)
where:
Base-Base interactions energy: -207.648
where: short stacking energy: -163.962
Base-Backbone interact. energy: 10.264
local terms energy: -310.358142
where:
bonds (distance) C4'-P energy: -108.159
bonds (distance) P-C4' energy: -110.098
flat angles C4'-P-C4' energy: -69.095
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: 30.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1485.881889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.881889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.881889 (E_RNA)
where:
Base-Base interactions energy: -834.179
where: short stacking energy: -532.364
Base-Backbone interact. energy: 1.566
local terms energy: -653.268791
where:
bonds (distance) C4'-P energy: -133.563
bonds (distance) P-C4' energy: -140.677
flat angles C4'-P-C4' energy: -150.380
flat angles P-C4'-P energy: -86.076
tors. eta vs tors. theta energy: -142.572
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1449.438842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.438842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.438842 (E_RNA)
where:
Base-Base interactions energy: -864.362
where: short stacking energy: -510.545
Base-Backbone interact. energy: -0.880
local terms energy: -584.196565
where:
bonds (distance) C4'-P energy: -126.193
bonds (distance) P-C4' energy: -133.668
flat angles C4'-P-C4' energy: -136.236
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: -117.962
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: 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: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -949.060651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.060651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.060651 (E_RNA)
where:
Base-Base interactions energy: -486.271
where: short stacking energy: -319.631
Base-Backbone interact. energy: -1.355
local terms energy: -461.435208
where:
bonds (distance) C4'-P energy: -113.822
bonds (distance) P-C4' energy: -118.210
flat angles C4'-P-C4' energy: -105.307
flat angles P-C4'-P energy: -78.491
tors. eta vs tors. theta energy: -45.605
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -943.593586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.593586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.593586 (E_RNA)
where:
Base-Base interactions energy: -501.867
where: short stacking energy: -271.653
Base-Backbone interact. energy: 2.006
local terms energy: -443.732607
where:
bonds (distance) C4'-P energy: -117.853
bonds (distance) P-C4' energy: -116.398
flat angles C4'-P-C4' energy: -104.682
flat angles P-C4'-P energy: -66.671
tors. eta vs tors. theta energy: -38.128
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: 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: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -652.181757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.181757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.181757 (E_RNA)
where:
Base-Base interactions energy: -277.445
where: short stacking energy: -179.872
Base-Backbone interact. energy: -1.405
local terms energy: -373.331344
where:
bonds (distance) C4'-P energy: -98.698
bonds (distance) P-C4' energy: -110.085
flat angles C4'-P-C4' energy: -110.246
flat angles P-C4'-P energy: -58.104
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: 11
Temperature: 1.350000
Total energy: -527.501358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.501358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.501358 (E_RNA)
where:
Base-Base interactions energy: -175.426
where: short stacking energy: -163.021
Base-Backbone interact. energy: -2.687
local terms energy: -349.388761
where:
bonds (distance) C4'-P energy: -100.911
bonds (distance) P-C4' energy: -117.348
flat angles C4'-P-C4' energy: -103.366
flat angles P-C4'-P energy: -49.277
tors. eta vs tors. theta energy: 21.513
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1535.570196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.570196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.570196 (E_RNA)
where:
Base-Base interactions energy: -886.851
where: short stacking energy: -559.997
Base-Backbone interact. energy: -1.457
local terms energy: -647.261970
where:
bonds (distance) C4'-P energy: -136.821
bonds (distance) P-C4' energy: -149.102
flat angles C4'-P-C4' energy: -145.397
flat angles P-C4'-P energy: -79.603
tors. eta vs tors. theta energy: -136.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1464.667963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.667963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.667963 (E_RNA)
where:
Base-Base interactions energy: -850.075
where: short stacking energy: -518.708
Base-Backbone interact. energy: -0.845
local terms energy: -613.747960
where:
bonds (distance) C4'-P energy: -125.591
bonds (distance) P-C4' energy: -141.823
flat angles C4'-P-C4' energy: -132.728
flat angles P-C4'-P energy: -77.294
tors. eta vs tors. theta energy: -136.312
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: 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: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -989.479457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.479457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.479457 (E_RNA)
where:
Base-Base interactions energy: -534.219
where: short stacking energy: -332.380
Base-Backbone interact. energy: -0.356
local terms energy: -454.904293
where:
bonds (distance) C4'-P energy: -97.241
bonds (distance) P-C4' energy: -136.053
flat angles C4'-P-C4' energy: -103.443
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -44.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -955.274819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.274819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.274819 (E_RNA)
where:
Base-Base interactions energy: -526.440
where: short stacking energy: -280.730
Base-Backbone interact. energy: 0.447
local terms energy: -429.281765
where:
bonds (distance) C4'-P energy: -118.486
bonds (distance) P-C4' energy: -122.949
flat angles C4'-P-C4' energy: -96.927
flat angles P-C4'-P energy: -76.423
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -704.171728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.171728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.171728 (E_RNA)
where:
Base-Base interactions energy: -321.550
where: short stacking energy: -227.273
Base-Backbone interact. energy: 1.208
local terms energy: -383.829853
where:
bonds (distance) C4'-P energy: -82.665
bonds (distance) P-C4' energy: -126.243
flat angles C4'-P-C4' energy: -97.369
flat angles P-C4'-P energy: -71.418
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -533.336803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.336803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.336803 (E_RNA)
where:
Base-Base interactions energy: -183.082
where: short stacking energy: -160.086
Base-Backbone interact. energy: 0.146
local terms energy: -350.400120
where:
bonds (distance) C4'-P energy: -101.863
bonds (distance) P-C4' energy: -119.133
flat angles C4'-P-C4' energy: -103.727
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: 13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1531.982375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.982375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.982375 (E_RNA)
where:
Base-Base interactions energy: -913.437
where: short stacking energy: -547.873
Base-Backbone interact. energy: -0.601
local terms energy: -617.943854
where:
bonds (distance) C4'-P energy: -131.963
bonds (distance) P-C4' energy: -125.580
flat angles C4'-P-C4' energy: -132.477
flat angles P-C4'-P energy: -84.021
tors. eta vs tors. theta energy: -143.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1435.739254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.739254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.739254 (E_RNA)
where:
Base-Base interactions energy: -855.303
where: short stacking energy: -447.084
Base-Backbone interact. energy: 3.182
local terms energy: -583.618682
where:
bonds (distance) C4'-P energy: -129.287
bonds (distance) P-C4' energy: -133.810
flat angles C4'-P-C4' energy: -129.449
flat angles P-C4'-P energy: -88.182
tors. eta vs tors. theta energy: -102.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1415.638634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.638634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.638634 (E_RNA)
where:
Base-Base interactions energy: -842.619
where: short stacking energy: -492.772
Base-Backbone interact. energy: -0.563
local terms energy: -572.456973
where:
bonds (distance) C4'-P energy: -117.851
bonds (distance) P-C4' energy: -121.182
flat angles C4'-P-C4' energy: -142.548
flat angles P-C4'-P energy: -79.712
tors. eta vs tors. theta energy: -111.163
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: 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: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -964.784401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.784401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.784401 (E_RNA)
where:
Base-Base interactions energy: -514.061
where: short stacking energy: -285.558
Base-Backbone interact. energy: 3.643
local terms energy: -454.365989
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -109.180
flat angles C4'-P-C4' energy: -113.396
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -38.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -947.474131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.474131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.474131 (E_RNA)
where:
Base-Base interactions energy: -520.750
where: short stacking energy: -289.448
Base-Backbone interact. energy: 1.677
local terms energy: -428.401202
where:
bonds (distance) C4'-P energy: -107.941
bonds (distance) P-C4' energy: -102.955
flat angles C4'-P-C4' energy: -96.237
flat angles P-C4'-P energy: -83.203
tors. eta vs tors. theta energy: -38.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -838.857733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.857733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.857733 (E_RNA)
where:
Base-Base interactions energy: -468.562
where: short stacking energy: -281.650
Base-Backbone interact. energy: -0.554
local terms energy: -369.742024
where:
bonds (distance) C4'-P energy: -116.724
bonds (distance) P-C4' energy: -108.893
flat angles C4'-P-C4' energy: -99.157
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -711.651460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.651460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.651460 (E_RNA)
where:
Base-Base interactions energy: -358.570
where: short stacking energy: -179.144
Base-Backbone interact. energy: 5.363
local terms energy: -358.444511
where:
bonds (distance) C4'-P energy: -100.749
bonds (distance) P-C4' energy: -129.859
flat angles C4'-P-C4' energy: -87.336
flat angles P-C4'-P energy: -62.699
tors. eta vs tors. theta energy: 22.198
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: 13
Temperature: 1.350000
Total energy: -572.186144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.186144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.186144 (E_RNA)
where:
Base-Base interactions energy: -248.953
where: short stacking energy: -205.040
Base-Backbone interact. energy: 0.769
local terms energy: -324.001964
where:
bonds (distance) C4'-P energy: -99.474
bonds (distance) P-C4' energy: -81.045
flat angles C4'-P-C4' energy: -103.534
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: 5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1567.065116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.065116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.065116 (E_RNA)
where:
Base-Base interactions energy: -928.881
where: short stacking energy: -530.043
Base-Backbone interact. energy: -2.119
local terms energy: -636.066039
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -151.310
flat angles P-C4'-P energy: -88.156
tors. eta vs tors. theta energy: -142.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1467.779226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.779226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.779226 (E_RNA)
where:
Base-Base interactions energy: -867.522
where: short stacking energy: -482.579
Base-Backbone interact. energy: -2.401
local terms energy: -597.856632
where:
bonds (distance) C4'-P energy: -129.974
bonds (distance) P-C4' energy: -127.812
flat angles C4'-P-C4' energy: -132.605
flat angles P-C4'-P energy: -88.722
tors. eta vs tors. theta energy: -118.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1320.051983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.051983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.051983 (E_RNA)
where:
Base-Base interactions energy: -756.089
where: short stacking energy: -398.822
Base-Backbone interact. energy: -0.730
local terms energy: -563.233221
where:
bonds (distance) C4'-P energy: -127.073
bonds (distance) P-C4' energy: -122.474
flat angles C4'-P-C4' energy: -122.805
flat angles P-C4'-P energy: -86.855
tors. eta vs tors. theta energy: -104.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1184.412465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.412465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.412465 (E_RNA)
where:
Base-Base interactions energy: -638.979
where: short stacking energy: -346.714
Base-Backbone interact. energy: -2.981
local terms energy: -542.453206
where:
bonds (distance) C4'-P energy: -118.779
bonds (distance) P-C4' energy: -136.493
flat angles C4'-P-C4' energy: -126.775
flat angles P-C4'-P energy: -85.243
tors. eta vs tors. theta energy: -75.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1015.582735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.582735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.582735 (E_RNA)
where:
Base-Base interactions energy: -559.695
where: short stacking energy: -299.021
Base-Backbone interact. energy: 0.287
local terms energy: -456.175088
where:
bonds (distance) C4'-P energy: -119.143
bonds (distance) P-C4' energy: -111.901
flat angles C4'-P-C4' energy: -123.083
flat angles P-C4'-P energy: -60.906
tors. eta vs tors. theta energy: -41.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -957.682670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.682670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.682670 (E_RNA)
where:
Base-Base interactions energy: -512.240
where: short stacking energy: -289.069
Base-Backbone interact. energy: 0.933
local terms energy: -446.376092
where:
bonds (distance) C4'-P energy: -121.934
bonds (distance) P-C4' energy: -126.625
flat angles C4'-P-C4' energy: -98.844
flat angles P-C4'-P energy: -63.834
tors. eta vs tors. theta energy: -35.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -866.289228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.289228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.289228 (E_RNA)
where:
Base-Base interactions energy: -467.593
where: short stacking energy: -256.553
Base-Backbone interact. energy: -1.772
local terms energy: -396.923497
where:
bonds (distance) C4'-P energy: -113.099
bonds (distance) P-C4' energy: -102.801
flat angles C4'-P-C4' energy: -95.097
flat angles P-C4'-P energy: -54.114
tors. eta vs tors. theta energy: -31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -697.649807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.649807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.649807 (E_RNA)
where:
Base-Base interactions energy: -325.153
where: short stacking energy: -202.797
Base-Backbone interact. energy: 5.011
local terms energy: -377.507976
where:
bonds (distance) C4'-P energy: -106.196
bonds (distance) P-C4' energy: -111.876
flat angles C4'-P-C4' energy: -107.246
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -504.778715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.778715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.778715 (E_RNA)
where:
Base-Base interactions energy: -178.157
where: short stacking energy: -153.788
Base-Backbone interact. energy: -1.409
local terms energy: -325.212357
where:
bonds (distance) C4'-P energy: -98.432
bonds (distance) P-C4' energy: -110.368
flat angles C4'-P-C4' energy: -89.798
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1602.745557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.745557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.745557 (E_RNA)
where:
Base-Base interactions energy: -957.574
where: short stacking energy: -534.384
Base-Backbone interact. energy: -1.627
local terms energy: -643.544953
where:
bonds (distance) C4'-P energy: -138.586
bonds (distance) P-C4' energy: -130.858
flat angles C4'-P-C4' energy: -147.690
flat angles P-C4'-P energy: -93.377
tors. eta vs tors. theta energy: -133.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1600.827895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.827895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.827895 (E_RNA)
where:
Base-Base interactions energy: -988.578
where: short stacking energy: -473.624
Base-Backbone interact. energy: -2.492
local terms energy: -609.757236
where:
bonds (distance) C4'-P energy: -134.368
bonds (distance) P-C4' energy: -145.265
flat angles C4'-P-C4' energy: -132.444
flat angles P-C4'-P energy: -78.824
tors. eta vs tors. theta energy: -118.857
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1440.419678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.419678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.419678 (E_RNA)
where:
Base-Base interactions energy: -856.211
where: short stacking energy: -456.849
Base-Backbone interact. energy: -2.839
local terms energy: -581.369764
where:
bonds (distance) C4'-P energy: -121.979
bonds (distance) P-C4' energy: -128.479
flat angles C4'-P-C4' energy: -135.802
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -111.581
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1343.392603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.392603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.392603 (E_RNA)
where:
Base-Base interactions energy: -796.254
where: short stacking energy: -439.916
Base-Backbone interact. energy: -0.166
local terms energy: -546.972375
where:
bonds (distance) C4'-P energy: -132.397
bonds (distance) P-C4' energy: -118.077
flat angles C4'-P-C4' energy: -116.727
flat angles P-C4'-P energy: -85.621
tors. eta vs tors. theta energy: -94.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1198.387859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.387859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.387859 (E_RNA)
where:
Base-Base interactions energy: -677.924
where: short stacking energy: -363.594
Base-Backbone interact. energy: -2.190
local terms energy: -518.274475
where:
bonds (distance) C4'-P energy: -116.579
bonds (distance) P-C4' energy: -126.613
flat angles C4'-P-C4' energy: -135.771
flat angles P-C4'-P energy: -59.635
tors. eta vs tors. theta energy: -79.676
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: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1101.475467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.475467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.475467 (E_RNA)
where:
Base-Base interactions energy: -621.519
where: short stacking energy: -329.513
Base-Backbone interact. energy: 3.233
local terms energy: -483.189274
where:
bonds (distance) C4'-P energy: -124.632
bonds (distance) P-C4' energy: -108.753
flat angles C4'-P-C4' energy: -114.241
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -58.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -998.225361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.225361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.225361 (E_RNA)
where:
Base-Base interactions energy: -545.303
where: short stacking energy: -287.885
Base-Backbone interact. energy: -0.146
local terms energy: -452.776152
where:
bonds (distance) C4'-P energy: -119.324
bonds (distance) P-C4' energy: -123.748
flat angles C4'-P-C4' energy: -111.727
flat angles P-C4'-P energy: -72.453
tors. eta vs tors. theta energy: -25.523
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -865.106489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.106489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.106489 (E_RNA)
where:
Base-Base interactions energy: -476.880
where: short stacking energy: -265.912
Base-Backbone interact. energy: -1.280
local terms energy: -386.946617
where:
bonds (distance) C4'-P energy: -117.194
bonds (distance) P-C4' energy: -109.283
flat angles C4'-P-C4' energy: -112.273
flat angles P-C4'-P energy: -33.566
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -810.561150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.561150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.561150 (E_RNA)
where:
Base-Base interactions energy: -457.065
where: short stacking energy: -251.320
Base-Backbone interact. energy: -0.827
local terms energy: -352.668604
where:
bonds (distance) C4'-P energy: -93.685
bonds (distance) P-C4' energy: -107.510
flat angles C4'-P-C4' energy: -88.491
flat angles P-C4'-P energy: -48.527
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -559.827126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.827126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.827126 (E_RNA)
where:
Base-Base interactions energy: -221.265
where: short stacking energy: -173.284
Base-Backbone interact. energy: -0.121
local terms energy: -338.441193
where:
bonds (distance) C4'-P energy: -104.564
bonds (distance) P-C4' energy: -84.903
flat angles C4'-P-C4' energy: -93.128
flat angles P-C4'-P energy: -50.731
tors. eta vs tors. theta energy: -5.115
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: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1614.693983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.693983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.693983 (E_RNA)
where:
Base-Base interactions energy: -964.152
where: short stacking energy: -545.790
Base-Backbone interact. energy: 0.151
local terms energy: -650.692765
where:
bonds (distance) C4'-P energy: -132.833
bonds (distance) P-C4' energy: -147.084
flat angles C4'-P-C4' energy: -141.579
flat angles P-C4'-P energy: -87.849
tors. eta vs tors. theta energy: -141.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1591.244851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.244851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.244851 (E_RNA)
where:
Base-Base interactions energy: -993.552
where: short stacking energy: -494.225
Base-Backbone interact. energy: -2.284
local terms energy: -595.409061
where:
bonds (distance) C4'-P energy: -114.343
bonds (distance) P-C4' energy: -141.137
flat angles C4'-P-C4' energy: -135.670
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: -121.283
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: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1454.018648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.018648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.018648 (E_RNA)
where:
Base-Base interactions energy: -870.419
where: short stacking energy: -448.857
Base-Backbone interact. energy: -0.067
local terms energy: -583.532931
where:
bonds (distance) C4'-P energy: -131.798
bonds (distance) P-C4' energy: -133.363
flat angles C4'-P-C4' energy: -125.119
flat angles P-C4'-P energy: -95.729
tors. eta vs tors. theta energy: -97.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1296.026893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.026893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.026893 (E_RNA)
where:
Base-Base interactions energy: -777.621
where: short stacking energy: -390.079
Base-Backbone interact. energy: 2.578
local terms energy: -520.983146
where:
bonds (distance) C4'-P energy: -134.052
bonds (distance) P-C4' energy: -122.155
flat angles C4'-P-C4' energy: -113.619
flat angles P-C4'-P energy: -78.850
tors. eta vs tors. theta energy: -72.307
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: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1192.478519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.478519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.478519 (E_RNA)
where:
Base-Base interactions energy: -679.829
where: short stacking energy: -384.552
Base-Backbone interact. energy: -1.251
local terms energy: -511.398878
where:
bonds (distance) C4'-P energy: -116.151
bonds (distance) P-C4' energy: -121.048
flat angles C4'-P-C4' energy: -119.905
flat angles P-C4'-P energy: -84.775
tors. eta vs tors. theta energy: -69.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1173.006145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.006145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.006145 (E_RNA)
where:
Base-Base interactions energy: -680.981
where: short stacking energy: -342.387
Base-Backbone interact. energy: -0.877
local terms energy: -491.148424
where:
bonds (distance) C4'-P energy: -112.410
bonds (distance) P-C4' energy: -126.047
flat angles C4'-P-C4' energy: -122.939
flat angles P-C4'-P energy: -64.706
tors. eta vs tors. theta energy: -65.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1129.144242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.144242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.144242 (E_RNA)
where:
Base-Base interactions energy: -663.540
where: short stacking energy: -302.347
Base-Backbone interact. energy: -1.049
local terms energy: -464.554993
where:
bonds (distance) C4'-P energy: -108.052
bonds (distance) P-C4' energy: -119.402
flat angles C4'-P-C4' energy: -126.483
flat angles P-C4'-P energy: -78.099
tors. eta vs tors. theta energy: -32.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -877.010755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.010755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.010755 (E_RNA)
where:
Base-Base interactions energy: -449.702
where: short stacking energy: -256.884
Base-Backbone interact. energy: -1.815
local terms energy: -425.493807
where:
bonds (distance) C4'-P energy: -96.682
bonds (distance) P-C4' energy: -129.794
flat angles C4'-P-C4' energy: -107.295
flat angles P-C4'-P energy: -57.693
tors. eta vs tors. theta energy: -34.030
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: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -693.548688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.548688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.548688 (E_RNA)
where:
Base-Base interactions energy: -306.806
where: short stacking energy: -179.121
Base-Backbone interact. energy: 6.495
local terms energy: -393.237707
where:
bonds (distance) C4'-P energy: -104.263
bonds (distance) P-C4' energy: -119.011
flat angles C4'-P-C4' energy: -104.790
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: 4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -615.136726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.136726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.136726 (E_RNA)
where:
Base-Base interactions energy: -231.999
where: short stacking energy: -177.239
Base-Backbone interact. energy: -1.127
local terms energy: -382.010992
where:
bonds (distance) C4'-P energy: -111.622
bonds (distance) P-C4' energy: -115.897
flat angles C4'-P-C4' energy: -99.172
flat angles P-C4'-P energy: -62.876
tors. eta vs tors. theta energy: 7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1635.360885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.360885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.360885 (E_RNA)
where:
Base-Base interactions energy: -979.895
where: short stacking energy: -550.309
Base-Backbone interact. energy: -4.561
local terms energy: -650.905178
where:
bonds (distance) C4'-P energy: -117.119
bonds (distance) P-C4' energy: -145.449
flat angles C4'-P-C4' energy: -154.989
flat angles P-C4'-P energy: -95.042
tors. eta vs tors. theta energy: -138.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1618.256662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.256662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.256662 (E_RNA)
where:
Base-Base interactions energy: -1033.402
where: short stacking energy: -512.119
Base-Backbone interact. energy: 0.114
local terms energy: -584.968748
where:
bonds (distance) C4'-P energy: -126.115
bonds (distance) P-C4' energy: -114.610
flat angles C4'-P-C4' energy: -143.876
flat angles P-C4'-P energy: -79.563
tors. eta vs tors. theta energy: -120.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1493.659534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.659534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.659534 (E_RNA)
where:
Base-Base interactions energy: -954.346
where: short stacking energy: -458.282
Base-Backbone interact. energy: -1.562
local terms energy: -537.751401
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -121.567
flat angles C4'-P-C4' energy: -123.346
flat angles P-C4'-P energy: -92.176
tors. eta vs tors. theta energy: -99.687
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: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1372.026991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.026991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.026991 (E_RNA)
where:
Base-Base interactions energy: -840.298
where: short stacking energy: -425.814
Base-Backbone interact. energy: -2.038
local terms energy: -529.690632
where:
bonds (distance) C4'-P energy: -117.037
bonds (distance) P-C4' energy: -121.979
flat angles C4'-P-C4' energy: -128.031
flat angles P-C4'-P energy: -76.374
tors. eta vs tors. theta energy: -86.269
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1189.113534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.113534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.113534 (E_RNA)
where:
Base-Base interactions energy: -653.838
where: short stacking energy: -309.064
Base-Backbone interact. energy: -2.374
local terms energy: -532.901257
where:
bonds (distance) C4'-P energy: -123.671
bonds (distance) P-C4' energy: -125.010
flat angles C4'-P-C4' energy: -141.370
flat angles P-C4'-P energy: -83.594
tors. eta vs tors. theta energy: -59.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1267.702011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.702011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.702011 (E_RNA)
where:
Base-Base interactions energy: -781.905
where: short stacking energy: -369.046
Base-Backbone interact. energy: -4.147
local terms energy: -481.650118
where:
bonds (distance) C4'-P energy: -110.317
bonds (distance) P-C4' energy: -131.086
flat angles C4'-P-C4' energy: -115.305
flat angles P-C4'-P energy: -65.693
tors. eta vs tors. theta energy: -59.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1241.792730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.792730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.792730 (E_RNA)
where:
Base-Base interactions energy: -767.634
where: short stacking energy: -354.158
Base-Backbone interact. energy: -1.796
local terms energy: -472.362672
where:
bonds (distance) C4'-P energy: -110.363
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -109.380
flat angles P-C4'-P energy: -70.463
tors. eta vs tors. theta energy: -70.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -937.504421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.504421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.504421 (E_RNA)
where:
Base-Base interactions energy: -538.790
where: short stacking energy: -302.027
Base-Backbone interact. energy: -1.606
local terms energy: -397.108173
where:
bonds (distance) C4'-P energy: -113.666
bonds (distance) P-C4' energy: -101.679
flat angles C4'-P-C4' energy: -88.839
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -41.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -749.468813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.468813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.468813 (E_RNA)
where:
Base-Base interactions energy: -396.648
where: short stacking energy: -217.776
Base-Backbone interact. energy: -1.995
local terms energy: -350.825455
where:
bonds (distance) C4'-P energy: -101.379
bonds (distance) P-C4' energy: -101.850
flat angles C4'-P-C4' energy: -103.154
flat angles P-C4'-P energy: -36.635
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -604.740424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.740424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.740424 (E_RNA)
where:
Base-Base interactions energy: -270.131
where: short stacking energy: -184.146
Base-Backbone interact. energy: -1.915
local terms energy: -332.693930
where:
bonds (distance) C4'-P energy: -94.162
bonds (distance) P-C4' energy: -100.455
flat angles C4'-P-C4' energy: -100.881
flat angles P-C4'-P energy: -50.650
tors. eta vs tors. theta energy: 13.455
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: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1819.618766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.618766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.618766 (E_RNA)
where:
Base-Base interactions energy: -1196.483
where: short stacking energy: -564.943
Base-Backbone interact. energy: -5.336
local terms energy: -617.799127
where:
bonds (distance) C4'-P energy: -133.191
bonds (distance) P-C4' energy: -111.302
flat angles C4'-P-C4' energy: -145.209
flat angles P-C4'-P energy: -89.185
tors. eta vs tors. theta energy: -138.913
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: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1593.681867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.681867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.681867 (E_RNA)
where:
Base-Base interactions energy: -970.724
where: short stacking energy: -543.537
Base-Backbone interact. energy: -2.642
local terms energy: -620.316086
where:
bonds (distance) C4'-P energy: -123.398
bonds (distance) P-C4' energy: -137.874
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -84.317
tors. eta vs tors. theta energy: -136.400
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: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1562.466895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.466895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.466895 (E_RNA)
where:
Base-Base interactions energy: -975.683
where: short stacking energy: -459.141
Base-Backbone interact. energy: 2.546
local terms energy: -589.330238
where:
bonds (distance) C4'-P energy: -117.664
bonds (distance) P-C4' energy: -121.900
flat angles C4'-P-C4' energy: -141.020
flat angles P-C4'-P energy: -100.658
tors. eta vs tors. theta energy: -108.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1407.158354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.158354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.158354 (E_RNA)
where:
Base-Base interactions energy: -869.072
where: short stacking energy: -426.808
Base-Backbone interact. energy: -3.728
local terms energy: -534.358965
where:
bonds (distance) C4'-P energy: -122.188
bonds (distance) P-C4' energy: -116.926
flat angles C4'-P-C4' energy: -127.679
flat angles P-C4'-P energy: -70.623
tors. eta vs tors. theta energy: -96.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1337.132933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.132933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.132933 (E_RNA)
where:
Base-Base interactions energy: -825.693
where: short stacking energy: -405.896
Base-Backbone interact. energy: -2.575
local terms energy: -508.865393
where:
bonds (distance) C4'-P energy: -113.106
bonds (distance) P-C4' energy: -125.623
flat angles C4'-P-C4' energy: -116.338
flat angles P-C4'-P energy: -78.622
tors. eta vs tors. theta energy: -75.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1140.124817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.124817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.124817 (E_RNA)
where:
Base-Base interactions energy: -656.146
where: short stacking energy: -329.381
Base-Backbone interact. energy: 2.998
local terms energy: -486.976573
where:
bonds (distance) C4'-P energy: -127.969
bonds (distance) P-C4' energy: -126.850
flat angles C4'-P-C4' energy: -113.892
flat angles P-C4'-P energy: -52.127
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1298.222561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.222561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.222561 (E_RNA)
where:
Base-Base interactions energy: -778.185
where: short stacking energy: -386.895
Base-Backbone interact. energy: -2.831
local terms energy: -517.206952
where:
bonds (distance) C4'-P energy: -114.199
bonds (distance) P-C4' energy: -126.297
flat angles C4'-P-C4' energy: -128.490
flat angles P-C4'-P energy: -69.673
tors. eta vs tors. theta energy: -78.548
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: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -981.093825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.093825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.093825 (E_RNA)
where:
Base-Base interactions energy: -517.885
where: short stacking energy: -273.926
Base-Backbone interact. energy: -1.652
local terms energy: -461.556508
where:
bonds (distance) C4'-P energy: -114.193
bonds (distance) P-C4' energy: -111.342
flat angles C4'-P-C4' energy: -120.990
flat angles P-C4'-P energy: -70.828
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -750.488806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.488806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.488806 (E_RNA)
where:
Base-Base interactions energy: -391.453
where: short stacking energy: -214.402
Base-Backbone interact. energy: -1.303
local terms energy: -357.733171
where:
bonds (distance) C4'-P energy: -101.991
bonds (distance) P-C4' energy: -110.680
flat angles C4'-P-C4' energy: -100.051
flat angles P-C4'-P energy: -60.117
tors. eta vs tors. theta energy: 15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -623.288981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.288981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.288981 (E_RNA)
where:
Base-Base interactions energy: -285.753
where: short stacking energy: -189.681
Base-Backbone interact. energy: -0.853
local terms energy: -336.682485
where:
bonds (distance) C4'-P energy: -104.057
bonds (distance) P-C4' energy: -107.650
flat angles C4'-P-C4' energy: -95.134
flat angles P-C4'-P energy: -47.466
tors. eta vs tors. theta energy: 17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1888.171396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.171396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.171396 (E_RNA)
where:
Base-Base interactions energy: -1249.173
where: short stacking energy: -577.726
Base-Backbone interact. energy: -2.023
local terms energy: -636.975560
where:
bonds (distance) C4'-P energy: -136.134
bonds (distance) P-C4' energy: -134.959
flat angles C4'-P-C4' energy: -136.670
flat angles P-C4'-P energy: -89.433
tors. eta vs tors. theta energy: -139.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1772.050526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.050526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.050526 (E_RNA)
where:
Base-Base interactions energy: -1181.160
where: short stacking energy: -539.798
Base-Backbone interact. energy: -1.270
local terms energy: -589.620636
where:
bonds (distance) C4'-P energy: -127.557
bonds (distance) P-C4' energy: -109.836
flat angles C4'-P-C4' energy: -133.835
flat angles P-C4'-P energy: -85.726
tors. eta vs tors. theta energy: -132.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1436.572296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.572296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.572296 (E_RNA)
where:
Base-Base interactions energy: -857.563
where: short stacking energy: -484.529
Base-Backbone interact. energy: 1.530
local terms energy: -580.539235
where:
bonds (distance) C4'-P energy: -122.888
bonds (distance) P-C4' energy: -120.797
flat angles C4'-P-C4' energy: -129.932
flat angles P-C4'-P energy: -85.468
tors. eta vs tors. theta energy: -121.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1478.160899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.160899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.160899 (E_RNA)
where:
Base-Base interactions energy: -931.495
where: short stacking energy: -454.659
Base-Backbone interact. energy: 1.781
local terms energy: -548.446551
where:
bonds (distance) C4'-P energy: -105.037
bonds (distance) P-C4' energy: -136.270
flat angles C4'-P-C4' energy: -133.625
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -109.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1377.788473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.788473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.788473 (E_RNA)
where:
Base-Base interactions energy: -853.791
where: short stacking energy: -422.356
Base-Backbone interact. energy: -0.221
local terms energy: -523.776304
where:
bonds (distance) C4'-P energy: -127.444
bonds (distance) P-C4' energy: -100.613
flat angles C4'-P-C4' energy: -136.898
flat angles P-C4'-P energy: -61.891
tors. eta vs tors. theta energy: -96.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1321.145409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.145409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.145409 (E_RNA)
where:
Base-Base interactions energy: -844.480
where: short stacking energy: -382.045
Base-Backbone interact. energy: 0.201
local terms energy: -476.867134
where:
bonds (distance) C4'-P energy: -99.371
bonds (distance) P-C4' energy: -119.367
flat angles C4'-P-C4' energy: -120.425
flat angles P-C4'-P energy: -57.404
tors. eta vs tors. theta energy: -80.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1056.960587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.960587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.960587 (E_RNA)
where:
Base-Base interactions energy: -608.918
where: short stacking energy: -305.861
Base-Backbone interact. energy: -0.184
local terms energy: -447.858907
where:
bonds (distance) C4'-P energy: -112.958
bonds (distance) P-C4' energy: -107.727
flat angles C4'-P-C4' energy: -111.661
flat angles P-C4'-P energy: -69.480
tors. eta vs tors. theta energy: -46.032
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1013.655186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.655186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.655186 (E_RNA)
where:
Base-Base interactions energy: -556.635
where: short stacking energy: -282.884
Base-Backbone interact. energy: -1.235
local terms energy: -455.784897
where:
bonds (distance) C4'-P energy: -106.621
bonds (distance) P-C4' energy: -137.438
flat angles C4'-P-C4' energy: -107.213
flat angles P-C4'-P energy: -76.534
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -684.189042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.189042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.189042 (E_RNA)
where:
Base-Base interactions energy: -325.025
where: short stacking energy: -204.118
Base-Backbone interact. energy: 4.027
local terms energy: -363.190981
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -111.495
flat angles C4'-P-C4' energy: -99.460
flat angles P-C4'-P energy: -54.009
tors. eta vs tors. theta energy: 6.331
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: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -622.700132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.700132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.700132 (E_RNA)
where:
Base-Base interactions energy: -276.223
where: short stacking energy: -187.237
Base-Backbone interact. energy: -2.117
local terms energy: -344.359921
where:
bonds (distance) C4'-P energy: -102.844
bonds (distance) P-C4' energy: -107.485
flat angles C4'-P-C4' energy: -79.331
flat angles P-C4'-P energy: -58.527
tors. eta vs tors. theta energy: 3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1855.491184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.491184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.491184 (E_RNA)
where:
Base-Base interactions energy: -1238.014
where: short stacking energy: -557.960
Base-Backbone interact. energy: -1.058
local terms energy: -616.418961
where:
bonds (distance) C4'-P energy: -129.693
bonds (distance) P-C4' energy: -121.986
flat angles C4'-P-C4' energy: -132.496
flat angles P-C4'-P energy: -96.657
tors. eta vs tors. theta energy: -135.587
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1760.759333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.759333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.759333 (E_RNA)
where:
Base-Base interactions energy: -1154.303
where: short stacking energy: -508.048
Base-Backbone interact. energy: -2.359
local terms energy: -604.097465
where:
bonds (distance) C4'-P energy: -117.892
bonds (distance) P-C4' energy: -129.261
flat angles C4'-P-C4' energy: -136.614
flat angles P-C4'-P energy: -86.033
tors. eta vs tors. theta energy: -134.298
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: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1554.631263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.631263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.631263 (E_RNA)
where:
Base-Base interactions energy: -967.490
where: short stacking energy: -476.840
Base-Backbone interact. energy: -1.455
local terms energy: -585.686247
where:
bonds (distance) C4'-P energy: -118.965
bonds (distance) P-C4' energy: -134.330
flat angles C4'-P-C4' energy: -124.984
flat angles P-C4'-P energy: -96.842
tors. eta vs tors. theta energy: -110.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1395.187394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.187394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.187394 (E_RNA)
where:
Base-Base interactions energy: -815.093
where: short stacking energy: -435.686
Base-Backbone interact. energy: 0.061
local terms energy: -580.155980
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -126.669
flat angles C4'-P-C4' energy: -128.735
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -105.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1489.737927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.737927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.737927 (E_RNA)
where:
Base-Base interactions energy: -954.165
where: short stacking energy: -472.447
Base-Backbone interact. energy: 0.145
local terms energy: -535.718247
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -126.905
flat angles C4'-P-C4' energy: -126.929
flat angles P-C4'-P energy: -89.021
tors. eta vs tors. theta energy: -100.511
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: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1338.084764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.084764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.084764 (E_RNA)
where:
Base-Base interactions energy: -831.090
where: short stacking energy: -381.711
Base-Backbone interact. energy: -2.506
local terms energy: -504.488035
where:
bonds (distance) C4'-P energy: -113.691
bonds (distance) P-C4' energy: -129.913
flat angles C4'-P-C4' energy: -110.472
flat angles P-C4'-P energy: -76.946
tors. eta vs tors. theta energy: -73.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1041.974948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.974948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.974948 (E_RNA)
where:
Base-Base interactions energy: -602.321
where: short stacking energy: -315.030
Base-Backbone interact. energy: -0.922
local terms energy: -438.732206
where:
bonds (distance) C4'-P energy: -123.250
bonds (distance) P-C4' energy: -111.400
flat angles C4'-P-C4' energy: -94.751
flat angles P-C4'-P energy: -57.775
tors. eta vs tors. theta energy: -51.556
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: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -954.836221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.836221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.836221 (E_RNA)
where:
Base-Base interactions energy: -480.685
where: short stacking energy: -259.427
Base-Backbone interact. energy: 4.531
local terms energy: -478.682058
where:
bonds (distance) C4'-P energy: -127.468
bonds (distance) P-C4' energy: -127.067
flat angles C4'-P-C4' energy: -110.057
flat angles P-C4'-P energy: -80.229
tors. eta vs tors. theta energy: -33.861
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: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -677.032243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.032243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.032243 (E_RNA)
where:
Base-Base interactions energy: -323.111
where: short stacking energy: -206.250
Base-Backbone interact. energy: -2.204
local terms energy: -351.716854
where:
bonds (distance) C4'-P energy: -105.481
bonds (distance) P-C4' energy: -122.235
flat angles C4'-P-C4' energy: -77.559
flat angles P-C4'-P energy: -50.394
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -632.659526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.659526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.659526 (E_RNA)
where:
Base-Base interactions energy: -274.458
where: short stacking energy: -184.696
Base-Backbone interact. energy: -0.831
local terms energy: -357.370219
where:
bonds (distance) C4'-P energy: -96.673
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -89.275
flat angles P-C4'-P energy: -61.318
tors. eta vs tors. theta energy: 6.080
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: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1895.900480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.900480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.900480 (E_RNA)
where:
Base-Base interactions energy: -1239.791
where: short stacking energy: -548.702
Base-Backbone interact. energy: -2.985
local terms energy: -653.124233
where:
bonds (distance) C4'-P energy: -116.277
bonds (distance) P-C4' energy: -135.820
flat angles C4'-P-C4' energy: -152.702
flat angles P-C4'-P energy: -100.305
tors. eta vs tors. theta energy: -148.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1788.648635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.648635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.648635 (E_RNA)
where:
Base-Base interactions energy: -1194.534
where: short stacking energy: -547.754
Base-Backbone interact. energy: 2.255
local terms energy: -596.369134
where:
bonds (distance) C4'-P energy: -121.882
bonds (distance) P-C4' energy: -113.275
flat angles C4'-P-C4' energy: -146.778
flat angles P-C4'-P energy: -84.691
tors. eta vs tors. theta energy: -129.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1579.060638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.060638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.060638 (E_RNA)
where:
Base-Base interactions energy: -993.592
where: short stacking energy: -505.687
Base-Backbone interact. energy: -4.120
local terms energy: -581.348772
where:
bonds (distance) C4'-P energy: -130.894
bonds (distance) P-C4' energy: -122.389
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -78.655
tors. eta vs tors. theta energy: -109.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1585.008776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.008776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.008776 (E_RNA)
where:
Base-Base interactions energy: -1027.661
where: short stacking energy: -471.185
Base-Backbone interact. energy: -2.623
local terms energy: -554.724648
where:
bonds (distance) C4'-P energy: -112.473
bonds (distance) P-C4' energy: -102.312
flat angles C4'-P-C4' energy: -134.790
flat angles P-C4'-P energy: -87.928
tors. eta vs tors. theta energy: -117.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1262.200877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.200877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.200877 (E_RNA)
where:
Base-Base interactions energy: -756.520
where: short stacking energy: -396.856
Base-Backbone interact. energy: -0.315
local terms energy: -505.365484
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -119.413
flat angles C4'-P-C4' energy: -130.298
flat angles P-C4'-P energy: -54.779
tors. eta vs tors. theta energy: -80.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1293.985297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.985297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.985297 (E_RNA)
where:
Base-Base interactions energy: -802.283
where: short stacking energy: -393.727
Base-Backbone interact. energy: -4.637
local terms energy: -487.065309
where:
bonds (distance) C4'-P energy: -122.211
bonds (distance) P-C4' energy: -114.017
flat angles C4'-P-C4' energy: -116.177
flat angles P-C4'-P energy: -69.183
tors. eta vs tors. theta energy: -65.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1016.502549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.502549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.502549 (E_RNA)
where:
Base-Base interactions energy: -589.579
where: short stacking energy: -340.378
Base-Backbone interact. energy: 4.024
local terms energy: -430.948093
where:
bonds (distance) C4'-P energy: -108.744
bonds (distance) P-C4' energy: -109.190
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -62.342
tors. eta vs tors. theta energy: -53.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -999.946947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.946947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.946947 (E_RNA)
where:
Base-Base interactions energy: -579.997
where: short stacking energy: -308.377
Base-Backbone interact. energy: -1.541
local terms energy: -418.409265
where:
bonds (distance) C4'-P energy: -101.267
bonds (distance) P-C4' energy: -101.789
flat angles C4'-P-C4' energy: -123.590
flat angles P-C4'-P energy: -60.620
tors. eta vs tors. theta energy: -31.143
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: 21
Temperature: 1.300000
Total energy: -726.263931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.263931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.263931 (E_RNA)
where:
Base-Base interactions energy: -364.872
where: short stacking energy: -196.461
Base-Backbone interact. energy: 1.990
local terms energy: -363.382125
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -98.492
flat angles C4'-P-C4' energy: -108.015
flat angles P-C4'-P energy: -52.477
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -627.598494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.598494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.598494 (E_RNA)
where:
Base-Base interactions energy: -276.478
where: short stacking energy: -176.432
Base-Backbone interact. energy: 3.575
local terms energy: -354.695899
where:
bonds (distance) C4'-P energy: -103.399
bonds (distance) P-C4' energy: -110.476
flat angles C4'-P-C4' energy: -103.396
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: 15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1925.862377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.862377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.862377 (E_RNA)
where:
Base-Base interactions energy: -1255.249
where: short stacking energy: -568.754
Base-Backbone interact. energy: 0.152
local terms energy: -670.765516
where:
bonds (distance) C4'-P energy: -150.029
bonds (distance) P-C4' energy: -140.045
flat angles C4'-P-C4' energy: -142.176
flat angles P-C4'-P energy: -97.591
tors. eta vs tors. theta energy: -140.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1809.049948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.049948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.049948 (E_RNA)
where:
Base-Base interactions energy: -1170.727
where: short stacking energy: -546.239
Base-Backbone interact. energy: -0.871
local terms energy: -637.452469
where:
bonds (distance) C4'-P energy: -130.393
bonds (distance) P-C4' energy: -118.234
flat angles C4'-P-C4' energy: -146.186
flat angles P-C4'-P energy: -107.142
tors. eta vs tors. theta energy: -135.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1735.347376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.347376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.347376 (E_RNA)
where:
Base-Base interactions energy: -1126.912
where: short stacking energy: -540.156
Base-Backbone interact. energy: -1.007
local terms energy: -607.428954
where:
bonds (distance) C4'-P energy: -113.360
bonds (distance) P-C4' energy: -115.866
flat angles C4'-P-C4' energy: -148.781
flat angles P-C4'-P energy: -91.656
tors. eta vs tors. theta energy: -137.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1523.592888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.592888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.592888 (E_RNA)
where:
Base-Base interactions energy: -994.694
where: short stacking energy: -457.302
Base-Backbone interact. energy: -2.083
local terms energy: -526.816233
where:
bonds (distance) C4'-P energy: -111.056
bonds (distance) P-C4' energy: -114.337
flat angles C4'-P-C4' energy: -134.651
flat angles P-C4'-P energy: -73.868
tors. eta vs tors. theta energy: -92.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1279.946733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.946733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.946733 (E_RNA)
where:
Base-Base interactions energy: -754.594
where: short stacking energy: -411.384
Base-Backbone interact. energy: -1.518
local terms energy: -523.833951
where:
bonds (distance) C4'-P energy: -112.114
bonds (distance) P-C4' energy: -131.684
flat angles C4'-P-C4' energy: -113.113
flat angles P-C4'-P energy: -70.706
tors. eta vs tors. theta energy: -96.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1339.909097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.909097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.909097 (E_RNA)
where:
Base-Base interactions energy: -790.611
where: short stacking energy: -401.738
Base-Backbone interact. energy: 0.640
local terms energy: -549.938114
where:
bonds (distance) C4'-P energy: -115.502
bonds (distance) P-C4' energy: -124.121
flat angles C4'-P-C4' energy: -130.996
flat angles P-C4'-P energy: -87.073
tors. eta vs tors. theta energy: -92.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1109.597202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.597202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.597202 (E_RNA)
where:
Base-Base interactions energy: -651.534
where: short stacking energy: -316.207
Base-Backbone interact. energy: 1.937
local terms energy: -460.000255
where:
bonds (distance) C4'-P energy: -116.028
bonds (distance) P-C4' energy: -110.240
flat angles C4'-P-C4' energy: -122.760
flat angles P-C4'-P energy: -62.178
tors. eta vs tors. theta energy: -48.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -886.941763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.941763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.941763 (E_RNA)
where:
Base-Base interactions energy: -478.171
where: short stacking energy: -266.716
Base-Backbone interact. energy: 0.891
local terms energy: -409.661415
where:
bonds (distance) C4'-P energy: -110.157
bonds (distance) P-C4' energy: -94.849
flat angles C4'-P-C4' energy: -106.253
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -31.260
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: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -754.402590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.402590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.402590 (E_RNA)
where:
Base-Base interactions energy: -395.051
where: short stacking energy: -249.909
Base-Backbone interact. energy: -2.890
local terms energy: -356.461716
where:
bonds (distance) C4'-P energy: -98.968
bonds (distance) P-C4' energy: -116.503
flat angles C4'-P-C4' energy: -95.951
flat angles P-C4'-P energy: -31.678
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -689.931992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.931992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.931992 (E_RNA)
where:
Base-Base interactions energy: -337.714
where: short stacking energy: -204.922
Base-Backbone interact. energy: 0.670
local terms energy: -352.887475
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -101.875
flat angles C4'-P-C4' energy: -92.185
flat angles P-C4'-P energy: -52.046
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1949.860795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.860795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.860795 (E_RNA)
where:
Base-Base interactions energy: -1315.087
where: short stacking energy: -587.730
Base-Backbone interact. energy: 2.160
local terms energy: -636.933036
where:
bonds (distance) C4'-P energy: -139.078
bonds (distance) P-C4' energy: -127.536
flat angles C4'-P-C4' energy: -136.169
flat angles P-C4'-P energy: -98.899
tors. eta vs tors. theta energy: -135.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1779.017102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.017102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.017102 (E_RNA)
where:
Base-Base interactions energy: -1157.774
where: short stacking energy: -546.151
Base-Backbone interact. energy: -0.563
local terms energy: -620.680205
where:
bonds (distance) C4'-P energy: -124.866
bonds (distance) P-C4' energy: -129.468
flat angles C4'-P-C4' energy: -141.948
flat angles P-C4'-P energy: -88.831
tors. eta vs tors. theta energy: -135.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1764.430817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.430817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.430817 (E_RNA)
where:
Base-Base interactions energy: -1170.969
where: short stacking energy: -522.769
Base-Backbone interact. energy: -0.572
local terms energy: -592.889838
where:
bonds (distance) C4'-P energy: -127.518
bonds (distance) P-C4' energy: -119.231
flat angles C4'-P-C4' energy: -146.361
flat angles P-C4'-P energy: -79.890
tors. eta vs tors. theta energy: -119.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1521.800899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.800899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.800899 (E_RNA)
where:
Base-Base interactions energy: -966.977
where: short stacking energy: -459.861
Base-Backbone interact. energy: -0.808
local terms energy: -554.015058
where:
bonds (distance) C4'-P energy: -114.637
bonds (distance) P-C4' energy: -127.958
flat angles C4'-P-C4' energy: -125.444
flat angles P-C4'-P energy: -71.597
tors. eta vs tors. theta energy: -114.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1242.853968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.853968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.853968 (E_RNA)
where:
Base-Base interactions energy: -734.508
where: short stacking energy: -404.341
Base-Backbone interact. energy: 3.235
local terms energy: -511.580792
where:
bonds (distance) C4'-P energy: -107.210
bonds (distance) P-C4' energy: -120.085
flat angles C4'-P-C4' energy: -122.263
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -85.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1319.810847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.810847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.810847 (E_RNA)
where:
Base-Base interactions energy: -793.776
where: short stacking energy: -406.072
Base-Backbone interact. energy: -0.472
local terms energy: -525.562871
where:
bonds (distance) C4'-P energy: -105.715
bonds (distance) P-C4' energy: -129.700
flat angles C4'-P-C4' energy: -118.464
flat angles P-C4'-P energy: -80.059
tors. eta vs tors. theta energy: -91.624
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: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1116.116344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.116344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.116344 (E_RNA)
where:
Base-Base interactions energy: -636.877
where: short stacking energy: -322.517
Base-Backbone interact. energy: 1.973
local terms energy: -481.211595
where:
bonds (distance) C4'-P energy: -119.976
bonds (distance) P-C4' energy: -136.982
flat angles C4'-P-C4' energy: -106.560
flat angles P-C4'-P energy: -68.773
tors. eta vs tors. theta energy: -48.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -954.656149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.656149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.656149 (E_RNA)
where:
Base-Base interactions energy: -551.445
where: short stacking energy: -326.596
Base-Backbone interact. energy: 5.353
local terms energy: -408.564212
where:
bonds (distance) C4'-P energy: -109.825
bonds (distance) P-C4' energy: -95.386
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -55.155
tors. eta vs tors. theta energy: -51.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -772.969593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.969593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.969593 (E_RNA)
where:
Base-Base interactions energy: -383.404
where: short stacking energy: -216.158
Base-Backbone interact. energy: -1.911
local terms energy: -387.654657
where:
bonds (distance) C4'-P energy: -90.904
bonds (distance) P-C4' energy: -101.413
flat angles C4'-P-C4' energy: -114.975
flat angles P-C4'-P energy: -65.038
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -717.761852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.761852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.761852 (E_RNA)
where:
Base-Base interactions energy: -344.926
where: short stacking energy: -194.483
Base-Backbone interact. energy: 3.830
local terms energy: -376.665234
where:
bonds (distance) C4'-P energy: -89.223
bonds (distance) P-C4' energy: -125.774
flat angles C4'-P-C4' energy: -99.398
flat angles P-C4'-P energy: -65.578
tors. eta vs tors. theta energy: 3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1950.354662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.354662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.354662 (E_RNA)
where:
Base-Base interactions energy: -1298.321
where: short stacking energy: -554.154
Base-Backbone interact. energy: -3.932
local terms energy: -648.101353
where:
bonds (distance) C4'-P energy: -133.191
bonds (distance) P-C4' energy: -131.732
flat angles C4'-P-C4' energy: -143.420
flat angles P-C4'-P energy: -89.746
tors. eta vs tors. theta energy: -150.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1820.105601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.105601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.105601 (E_RNA)
where:
Base-Base interactions energy: -1170.958
where: short stacking energy: -556.746
Base-Backbone interact. energy: -0.066
local terms energy: -649.081441
where:
bonds (distance) C4'-P energy: -123.314
bonds (distance) P-C4' energy: -133.655
flat angles C4'-P-C4' energy: -144.990
flat angles P-C4'-P energy: -95.318
tors. eta vs tors. theta energy: -151.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1789.058546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.058546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.058546 (E_RNA)
where:
Base-Base interactions energy: -1189.119
where: short stacking energy: -504.285
Base-Backbone interact. energy: -3.554
local terms energy: -596.386388
where:
bonds (distance) C4'-P energy: -133.887
bonds (distance) P-C4' energy: -121.111
flat angles C4'-P-C4' energy: -132.983
flat angles P-C4'-P energy: -78.658
tors. eta vs tors. theta energy: -129.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1488.146069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.146069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.146069 (E_RNA)
where:
Base-Base interactions energy: -942.968
where: short stacking energy: -427.736
Base-Backbone interact. energy: -0.650
local terms energy: -544.527684
where:
bonds (distance) C4'-P energy: -119.453
bonds (distance) P-C4' energy: -124.989
flat angles C4'-P-C4' energy: -120.210
flat angles P-C4'-P energy: -75.900
tors. eta vs tors. theta energy: -103.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1390.162137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.162137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.162137 (E_RNA)
where:
Base-Base interactions energy: -873.337
where: short stacking energy: -440.756
Base-Backbone interact. energy: -1.264
local terms energy: -515.561134
where:
bonds (distance) C4'-P energy: -117.721
bonds (distance) P-C4' energy: -118.857
flat angles C4'-P-C4' energy: -121.565
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -90.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1194.424181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.424181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.424181 (E_RNA)
where:
Base-Base interactions energy: -699.206
where: short stacking energy: -362.966
Base-Backbone interact. energy: 7.448
local terms energy: -502.666678
where:
bonds (distance) C4'-P energy: -113.622
bonds (distance) P-C4' energy: -124.293
flat angles C4'-P-C4' energy: -129.260
flat angles P-C4'-P energy: -80.877
tors. eta vs tors. theta energy: -54.615
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: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1211.441412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.441412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.441412 (E_RNA)
where:
Base-Base interactions energy: -770.863
where: short stacking energy: -353.654
Base-Backbone interact. energy: -1.184
local terms energy: -439.394111
where:
bonds (distance) C4'-P energy: -106.228
bonds (distance) P-C4' energy: -109.851
flat angles C4'-P-C4' energy: -111.688
flat angles P-C4'-P energy: -60.645
tors. eta vs tors. theta energy: -50.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -946.678303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.678303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.678303 (E_RNA)
where:
Base-Base interactions energy: -538.419
where: short stacking energy: -282.236
Base-Backbone interact. energy: 2.400
local terms energy: -410.658911
where:
bonds (distance) C4'-P energy: -96.447
bonds (distance) P-C4' energy: -126.845
flat angles C4'-P-C4' energy: -100.951
flat angles P-C4'-P energy: -53.856
tors. eta vs tors. theta energy: -32.559
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: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -730.747616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.747616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.747616 (E_RNA)
where:
Base-Base interactions energy: -340.209
where: short stacking energy: -203.698
Base-Backbone interact. energy: 2.667
local terms energy: -393.206179
where:
bonds (distance) C4'-P energy: -115.789
bonds (distance) P-C4' energy: -119.355
flat angles C4'-P-C4' energy: -99.531
flat angles P-C4'-P energy: -74.279
tors. eta vs tors. theta energy: 15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -655.336162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.336162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.336162 (E_RNA)
where:
Base-Base interactions energy: -306.279
where: short stacking energy: -188.543
Base-Backbone interact. energy: -2.222
local terms energy: -346.835582
where:
bonds (distance) C4'-P energy: -105.025
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -94.093
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: 2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1958.547103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.547103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.547103 (E_RNA)
where:
Base-Base interactions energy: -1327.141
where: short stacking energy: -581.335
Base-Backbone interact. energy: -2.795
local terms energy: -628.610665
where:
bonds (distance) C4'-P energy: -134.843
bonds (distance) P-C4' energy: -131.492
flat angles C4'-P-C4' energy: -134.212
flat angles P-C4'-P energy: -82.424
tors. eta vs tors. theta energy: -145.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1799.195892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.195892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.195892 (E_RNA)
where:
Base-Base interactions energy: -1163.120
where: short stacking energy: -526.710
Base-Backbone interact. energy: 4.568
local terms energy: -640.643274
where:
bonds (distance) C4'-P energy: -138.696
bonds (distance) P-C4' energy: -136.640
flat angles C4'-P-C4' energy: -143.012
flat angles P-C4'-P energy: -89.508
tors. eta vs tors. theta energy: -132.787
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: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1813.525764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.525764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.525764 (E_RNA)
where:
Base-Base interactions energy: -1193.314
where: short stacking energy: -506.926
Base-Backbone interact. energy: -1.889
local terms energy: -618.322370
where:
bonds (distance) C4'-P energy: -125.546
bonds (distance) P-C4' energy: -143.629
flat angles C4'-P-C4' energy: -133.703
flat angles P-C4'-P energy: -90.988
tors. eta vs tors. theta energy: -124.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1509.828111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.828111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.828111 (E_RNA)
where:
Base-Base interactions energy: -967.631
where: short stacking energy: -494.545
Base-Backbone interact. energy: -1.064
local terms energy: -541.132566
where:
bonds (distance) C4'-P energy: -108.144
bonds (distance) P-C4' energy: -125.364
flat angles C4'-P-C4' energy: -119.948
flat angles P-C4'-P energy: -73.294
tors. eta vs tors. theta energy: -114.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1422.203818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.203818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.203818 (E_RNA)
where:
Base-Base interactions energy: -906.783
where: short stacking energy: -435.321
Base-Backbone interact. energy: -1.105
local terms energy: -514.315185
where:
bonds (distance) C4'-P energy: -111.873
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -122.294
flat angles P-C4'-P energy: -72.582
tors. eta vs tors. theta energy: -95.038
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: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1362.336260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.336260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.336260 (E_RNA)
where:
Base-Base interactions energy: -875.635
where: short stacking energy: -412.401
Base-Backbone interact. energy: -4.555
local terms energy: -482.146968
where:
bonds (distance) C4'-P energy: -99.749
bonds (distance) P-C4' energy: -115.130
flat angles C4'-P-C4' energy: -98.599
flat angles P-C4'-P energy: -80.052
tors. eta vs tors. theta energy: -88.616
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: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1138.386710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.386710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.386710 (E_RNA)
where:
Base-Base interactions energy: -644.297
where: short stacking energy: -322.540
Base-Backbone interact. energy: 4.828
local terms energy: -498.917568
where:
bonds (distance) C4'-P energy: -121.555
bonds (distance) P-C4' energy: -124.770
flat angles C4'-P-C4' energy: -104.506
flat angles P-C4'-P energy: -81.743
tors. eta vs tors. theta energy: -66.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -884.868168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.868168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.868168 (E_RNA)
where:
Base-Base interactions energy: -449.627
where: short stacking energy: -251.804
Base-Backbone interact. energy: -2.907
local terms energy: -432.334957
where:
bonds (distance) C4'-P energy: -109.808
bonds (distance) P-C4' energy: -116.036
flat angles C4'-P-C4' energy: -108.906
flat angles P-C4'-P energy: -75.891
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -780.940322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.940322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.940322 (E_RNA)
where:
Base-Base interactions energy: -411.618
where: short stacking energy: -216.687
Base-Backbone interact. energy: -1.687
local terms energy: -367.635212
where:
bonds (distance) C4'-P energy: -116.401
bonds (distance) P-C4' energy: -117.500
flat angles C4'-P-C4' energy: -81.119
flat angles P-C4'-P energy: -46.436
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -596.606199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.606199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.606199 (E_RNA)
where:
Base-Base interactions energy: -277.191
where: short stacking energy: -163.046
Base-Backbone interact. energy: 0.233
local terms energy: -319.648050
where:
bonds (distance) C4'-P energy: -110.173
bonds (distance) P-C4' energy: -110.857
flat angles C4'-P-C4' energy: -87.794
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: 34.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1932.815922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.815922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.815922 (E_RNA)
where:
Base-Base interactions energy: -1306.023
where: short stacking energy: -571.354
Base-Backbone interact. energy: -0.442
local terms energy: -626.351170
where:
bonds (distance) C4'-P energy: -121.144
bonds (distance) P-C4' energy: -134.784
flat angles C4'-P-C4' energy: -143.617
flat angles P-C4'-P energy: -74.134
tors. eta vs tors. theta energy: -152.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1838.665387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.665387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.665387 (E_RNA)
where:
Base-Base interactions energy: -1202.302
where: short stacking energy: -552.252
Base-Backbone interact. energy: 0.145
local terms energy: -636.508154
where:
bonds (distance) C4'-P energy: -117.557
bonds (distance) P-C4' energy: -124.612
flat angles C4'-P-C4' energy: -141.705
flat angles P-C4'-P energy: -108.191
tors. eta vs tors. theta energy: -144.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1828.031699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.031699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.031699 (E_RNA)
where:
Base-Base interactions energy: -1223.531
where: short stacking energy: -518.365
Base-Backbone interact. energy: -1.859
local terms energy: -602.641789
where:
bonds (distance) C4'-P energy: -134.267
bonds (distance) P-C4' energy: -118.392
flat angles C4'-P-C4' energy: -130.445
flat angles P-C4'-P energy: -89.369
tors. eta vs tors. theta energy: -130.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1519.714774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.714774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.714774 (E_RNA)
where:
Base-Base interactions energy: -965.990
where: short stacking energy: -449.254
Base-Backbone interact. energy: 1.469
local terms energy: -555.193190
where:
bonds (distance) C4'-P energy: -119.938
bonds (distance) P-C4' energy: -119.690
flat angles C4'-P-C4' energy: -117.630
flat angles P-C4'-P energy: -77.967
tors. eta vs tors. theta energy: -119.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1427.193969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.193969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.193969 (E_RNA)
where:
Base-Base interactions energy: -903.246
where: short stacking energy: -400.136
Base-Backbone interact. energy: 1.062
local terms energy: -525.009456
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -119.197
flat angles C4'-P-C4' energy: -139.786
flat angles P-C4'-P energy: -69.827
tors. eta vs tors. theta energy: -79.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1325.753899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.753899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.753899 (E_RNA)
where:
Base-Base interactions energy: -821.602
where: short stacking energy: -387.250
Base-Backbone interact. energy: -3.314
local terms energy: -500.837620
where:
bonds (distance) C4'-P energy: -111.835
bonds (distance) P-C4' energy: -119.864
flat angles C4'-P-C4' energy: -117.773
flat angles P-C4'-P energy: -75.268
tors. eta vs tors. theta energy: -76.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1063.030760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.030760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.030760 (E_RNA)
where:
Base-Base interactions energy: -592.601
where: short stacking energy: -319.019
Base-Backbone interact. energy: 3.347
local terms energy: -473.776886
where:
bonds (distance) C4'-P energy: -137.840
bonds (distance) P-C4' energy: -116.671
flat angles C4'-P-C4' energy: -103.936
flat angles P-C4'-P energy: -51.211
tors. eta vs tors. theta energy: -64.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -924.431794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.431794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.431794 (E_RNA)
where:
Base-Base interactions energy: -479.440
where: short stacking energy: -261.872
Base-Backbone interact. energy: 1.963
local terms energy: -446.954996
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -119.617
flat angles C4'-P-C4' energy: -102.885
flat angles P-C4'-P energy: -75.545
tors. eta vs tors. theta energy: -34.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -816.577199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.577199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.577199 (E_RNA)
where:
Base-Base interactions energy: -423.962
where: short stacking energy: -250.179
Base-Backbone interact. energy: -4.257
local terms energy: -388.357840
where:
bonds (distance) C4'-P energy: -96.988
bonds (distance) P-C4' energy: -117.777
flat angles C4'-P-C4' energy: -100.473
flat angles P-C4'-P energy: -52.347
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -653.896285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.896285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.896285 (E_RNA)
where:
Base-Base interactions energy: -305.283
where: short stacking energy: -205.000
Base-Backbone interact. energy: -1.609
local terms energy: -347.004035
where:
bonds (distance) C4'-P energy: -93.398
bonds (distance) P-C4' energy: -123.348
flat angles C4'-P-C4' energy: -91.568
flat angles P-C4'-P energy: -65.380
tors. eta vs tors. theta energy: 26.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1944.482815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.482815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.482815 (E_RNA)
where:
Base-Base interactions energy: -1296.294
where: short stacking energy: -573.694
Base-Backbone interact. energy: -5.521
local terms energy: -642.667158
where:
bonds (distance) C4'-P energy: -121.855
bonds (distance) P-C4' energy: -124.018
flat angles C4'-P-C4' energy: -144.291
flat angles P-C4'-P energy: -93.721
tors. eta vs tors. theta energy: -158.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1866.455672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.455672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.455672 (E_RNA)
where:
Base-Base interactions energy: -1248.073
where: short stacking energy: -572.253
Base-Backbone interact. energy: -2.787
local terms energy: -615.595137
where:
bonds (distance) C4'-P energy: -118.546
bonds (distance) P-C4' energy: -124.980
flat angles C4'-P-C4' energy: -134.640
flat angles P-C4'-P energy: -92.524
tors. eta vs tors. theta energy: -144.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1852.029677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.029677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.029677 (E_RNA)
where:
Base-Base interactions energy: -1220.447
where: short stacking energy: -535.342
Base-Backbone interact. energy: -0.170
local terms energy: -631.413307
where:
bonds (distance) C4'-P energy: -122.414
bonds (distance) P-C4' energy: -138.222
flat angles C4'-P-C4' energy: -132.470
flat angles P-C4'-P energy: -92.043
tors. eta vs tors. theta energy: -146.265
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1471.285436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.285436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.285436 (E_RNA)
where:
Base-Base interactions energy: -963.634
where: short stacking energy: -456.862
Base-Backbone interact. energy: 8.377
local terms energy: -516.028974
where:
bonds (distance) C4'-P energy: -118.324
bonds (distance) P-C4' energy: -115.170
flat angles C4'-P-C4' energy: -122.239
flat angles P-C4'-P energy: -72.673
tors. eta vs tors. theta energy: -87.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1481.842985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.842985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.842985 (E_RNA)
where:
Base-Base interactions energy: -958.453
where: short stacking energy: -448.480
Base-Backbone interact. energy: -0.829
local terms energy: -522.560744
where:
bonds (distance) C4'-P energy: -108.520
bonds (distance) P-C4' energy: -124.950
flat angles C4'-P-C4' energy: -131.676
flat angles P-C4'-P energy: -58.337
tors. eta vs tors. theta energy: -99.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1358.330047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.330047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.330047 (E_RNA)
where:
Base-Base interactions energy: -832.892
where: short stacking energy: -385.116
Base-Backbone interact. energy: -1.502
local terms energy: -523.935757
where:
bonds (distance) C4'-P energy: -131.329
bonds (distance) P-C4' energy: -118.801
flat angles C4'-P-C4' energy: -119.187
flat angles P-C4'-P energy: -67.761
tors. eta vs tors. theta energy: -86.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1107.233376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.233376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.233376 (E_RNA)
where:
Base-Base interactions energy: -650.603
where: short stacking energy: -309.179
Base-Backbone interact. energy: -1.834
local terms energy: -454.796800
where:
bonds (distance) C4'-P energy: -103.887
bonds (distance) P-C4' energy: -108.761
flat angles C4'-P-C4' energy: -111.208
flat angles P-C4'-P energy: -68.715
tors. eta vs tors. theta energy: -62.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -909.172852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.172852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.172852 (E_RNA)
where:
Base-Base interactions energy: -471.067
where: short stacking energy: -253.462
Base-Backbone interact. energy: 5.691
local terms energy: -443.796800
where:
bonds (distance) C4'-P energy: -114.613
bonds (distance) P-C4' energy: -125.227
flat angles C4'-P-C4' energy: -112.409
flat angles P-C4'-P energy: -70.214
tors. eta vs tors. theta energy: -21.334
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: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -818.117471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.117471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.117471 (E_RNA)
where:
Base-Base interactions energy: -426.240
where: short stacking energy: -259.744
Base-Backbone interact. energy: -1.553
local terms energy: -390.324682
where:
bonds (distance) C4'-P energy: -108.218
bonds (distance) P-C4' energy: -112.787
flat angles C4'-P-C4' energy: -98.934
flat angles P-C4'-P energy: -72.593
tors. eta vs tors. theta energy: 2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -619.990181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.990181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.990181 (E_RNA)
where:
Base-Base interactions energy: -258.986
where: short stacking energy: -185.887
Base-Backbone interact. energy: -1.496
local terms energy: -359.508579
where:
bonds (distance) C4'-P energy: -110.902
bonds (distance) P-C4' energy: -112.848
flat angles C4'-P-C4' energy: -87.874
flat angles P-C4'-P energy: -47.373
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: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2016.231966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.231966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.231966 (E_RNA)
where:
Base-Base interactions energy: -1367.438
where: short stacking energy: -584.396
Base-Backbone interact. energy: -1.700
local terms energy: -647.094115
where:
bonds (distance) C4'-P energy: -134.392
bonds (distance) P-C4' energy: -136.878
flat angles C4'-P-C4' energy: -144.422
flat angles P-C4'-P energy: -83.018
tors. eta vs tors. theta energy: -148.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1876.978657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.978657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.978657 (E_RNA)
where:
Base-Base interactions energy: -1217.392
where: short stacking energy: -577.487
Base-Backbone interact. energy: -1.209
local terms energy: -658.377672
where:
bonds (distance) C4'-P energy: -129.059
bonds (distance) P-C4' energy: -129.842
flat angles C4'-P-C4' energy: -145.481
flat angles P-C4'-P energy: -101.707
tors. eta vs tors. theta energy: -152.289
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: 28
Temperature: 1.000000
Total energy: -1838.132613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.132613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.132613 (E_RNA)
where:
Base-Base interactions energy: -1240.811
where: short stacking energy: -517.574
Base-Backbone interact. energy: -6.219
local terms energy: -591.102834
where:
bonds (distance) C4'-P energy: -112.097
bonds (distance) P-C4' energy: -119.314
flat angles C4'-P-C4' energy: -133.061
flat angles P-C4'-P energy: -92.093
tors. eta vs tors. theta energy: -134.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1514.386723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.386723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.386723 (E_RNA)
where:
Base-Base interactions energy: -967.883
where: short stacking energy: -443.473
Base-Backbone interact. energy: 1.816
local terms energy: -548.319595
where:
bonds (distance) C4'-P energy: -110.866
bonds (distance) P-C4' energy: -141.618
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -77.981
tors. eta vs tors. theta energy: -100.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1483.294036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.294036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.294036 (E_RNA)
where:
Base-Base interactions energy: -960.860
where: short stacking energy: -459.180
Base-Backbone interact. energy: 3.674
local terms energy: -526.107452
where:
bonds (distance) C4'-P energy: -115.410
bonds (distance) P-C4' energy: -129.259
flat angles C4'-P-C4' energy: -119.235
flat angles P-C4'-P energy: -69.742
tors. eta vs tors. theta energy: -92.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1403.166605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.166605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.166605 (E_RNA)
where:
Base-Base interactions energy: -900.657
where: short stacking energy: -423.776
Base-Backbone interact. energy: 4.420
local terms energy: -506.929062
where:
bonds (distance) C4'-P energy: -103.103
bonds (distance) P-C4' energy: -117.493
flat angles C4'-P-C4' energy: -120.334
flat angles P-C4'-P energy: -78.339
tors. eta vs tors. theta energy: -87.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1041.154072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.154072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.154072 (E_RNA)
where:
Base-Base interactions energy: -586.672
where: short stacking energy: -313.755
Base-Backbone interact. energy: -2.720
local terms energy: -451.762092
where:
bonds (distance) C4'-P energy: -90.399
bonds (distance) P-C4' energy: -112.579
flat angles C4'-P-C4' energy: -116.259
flat angles P-C4'-P energy: -79.342
tors. eta vs tors. theta energy: -53.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -913.109917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.109917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.109917 (E_RNA)
where:
Base-Base interactions energy: -508.288
where: short stacking energy: -250.454
Base-Backbone interact. energy: 2.028
local terms energy: -406.850043
where:
bonds (distance) C4'-P energy: -124.977
bonds (distance) P-C4' energy: -103.535
flat angles C4'-P-C4' energy: -99.711
flat angles P-C4'-P energy: -64.305
tors. eta vs tors. theta energy: -14.321
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: 28
Temperature: 1.300000
Total energy: -844.070014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.070014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.070014 (E_RNA)
where:
Base-Base interactions energy: -427.108
where: short stacking energy: -242.128
Base-Backbone interact. energy: -1.593
local terms energy: -415.369054
where:
bonds (distance) C4'-P energy: -91.860
bonds (distance) P-C4' energy: -126.829
flat angles C4'-P-C4' energy: -107.164
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -32.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -619.961739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.961739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.961739 (E_RNA)
where:
Base-Base interactions energy: -259.349
where: short stacking energy: -161.670
Base-Backbone interact. energy: -2.939
local terms energy: -357.673962
where:
bonds (distance) C4'-P energy: -102.446
bonds (distance) P-C4' energy: -116.921
flat angles C4'-P-C4' energy: -91.493
flat angles P-C4'-P energy: -61.931
tors. eta vs tors. theta energy: 15.117
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: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2015.111502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.111502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.111502 (E_RNA)
where:
Base-Base interactions energy: -1371.912
where: short stacking energy: -592.848
Base-Backbone interact. energy: -2.060
local terms energy: -641.139169
where:
bonds (distance) C4'-P energy: -119.641
bonds (distance) P-C4' energy: -131.114
flat angles C4'-P-C4' energy: -148.427
flat angles P-C4'-P energy: -89.342
tors. eta vs tors. theta energy: -152.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1927.235664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.235664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.235664 (E_RNA)
where:
Base-Base interactions energy: -1289.544
where: short stacking energy: -545.637
Base-Backbone interact. energy: -3.512
local terms energy: -634.179773
where:
bonds (distance) C4'-P energy: -142.089
bonds (distance) P-C4' energy: -122.994
flat angles C4'-P-C4' energy: -136.250
flat angles P-C4'-P energy: -93.921
tors. eta vs tors. theta energy: -138.925
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: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1830.966052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.966052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.966052 (E_RNA)
where:
Base-Base interactions energy: -1194.603
where: short stacking energy: -553.842
Base-Backbone interact. energy: -0.176
local terms energy: -636.186940
where:
bonds (distance) C4'-P energy: -133.099
bonds (distance) P-C4' energy: -126.164
flat angles C4'-P-C4' energy: -140.749
flat angles P-C4'-P energy: -89.232
tors. eta vs tors. theta energy: -146.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1598.439010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.439010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.439010 (E_RNA)
where:
Base-Base interactions energy: -1048.284
where: short stacking energy: -491.150
Base-Backbone interact. energy: -3.431
local terms energy: -546.724029
where:
bonds (distance) C4'-P energy: -109.725
bonds (distance) P-C4' energy: -123.062
flat angles C4'-P-C4' energy: -132.169
flat angles P-C4'-P energy: -78.352
tors. eta vs tors. theta energy: -103.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1583.340233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.340233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.340233 (E_RNA)
where:
Base-Base interactions energy: -1039.558
where: short stacking energy: -434.111
Base-Backbone interact. energy: -0.331
local terms energy: -543.451178
where:
bonds (distance) C4'-P energy: -111.665
bonds (distance) P-C4' energy: -120.550
flat angles C4'-P-C4' energy: -125.911
flat angles P-C4'-P energy: -87.526
tors. eta vs tors. theta energy: -97.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1394.778207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.778207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.778207 (E_RNA)
where:
Base-Base interactions energy: -873.211
where: short stacking energy: -435.171
Base-Backbone interact. energy: -2.384
local terms energy: -519.183142
where:
bonds (distance) C4'-P energy: -109.343
bonds (distance) P-C4' energy: -108.286
flat angles C4'-P-C4' energy: -125.370
flat angles P-C4'-P energy: -74.513
tors. eta vs tors. theta energy: -101.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -975.663062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.663062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.663062 (E_RNA)
where:
Base-Base interactions energy: -534.910
where: short stacking energy: -328.911
Base-Backbone interact. energy: -4.893
local terms energy: -435.860121
where:
bonds (distance) C4'-P energy: -112.192
bonds (distance) P-C4' energy: -113.097
flat angles C4'-P-C4' energy: -106.846
flat angles P-C4'-P energy: -52.300
tors. eta vs tors. theta energy: -51.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -891.069702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.069702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.069702 (E_RNA)
where:
Base-Base interactions energy: -506.230
where: short stacking energy: -276.919
Base-Backbone interact. energy: -0.903
local terms energy: -383.936813
where:
bonds (distance) C4'-P energy: -94.011
bonds (distance) P-C4' energy: -97.637
flat angles C4'-P-C4' energy: -100.197
flat angles P-C4'-P energy: -67.253
tors. eta vs tors. theta energy: -24.838
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: 29
Temperature: 1.300000
Total energy: -824.540138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.540138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.540138 (E_RNA)
where:
Base-Base interactions energy: -434.086
where: short stacking energy: -231.749
Base-Backbone interact. energy: 2.343
local terms energy: -392.796847
where:
bonds (distance) C4'-P energy: -104.982
bonds (distance) P-C4' energy: -114.207
flat angles C4'-P-C4' energy: -97.634
flat angles P-C4'-P energy: -63.061
tors. eta vs tors. theta energy: -12.913
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: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -592.267612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.267612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.267612 (E_RNA)
where:
Base-Base interactions energy: -236.003
where: short stacking energy: -138.011
Base-Backbone interact. energy: -2.134
local terms energy: -354.131029
where:
bonds (distance) C4'-P energy: -95.473
bonds (distance) P-C4' energy: -108.667
flat angles C4'-P-C4' energy: -109.936
flat angles P-C4'-P energy: -58.231
tors. eta vs tors. theta energy: 18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1998.814579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.814579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.814579 (E_RNA)
where:
Base-Base interactions energy: -1360.731
where: short stacking energy: -588.067
Base-Backbone interact. energy: -3.112
local terms energy: -634.971290
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -136.609
flat angles C4'-P-C4' energy: -142.291
flat angles P-C4'-P energy: -79.664
tors. eta vs tors. theta energy: -146.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1991.063990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.063990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.063990 (E_RNA)
where:
Base-Base interactions energy: -1358.256
where: short stacking energy: -548.747
Base-Backbone interact. energy: 1.040
local terms energy: -633.847809
where:
bonds (distance) C4'-P energy: -122.483
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -140.361
flat angles P-C4'-P energy: -92.547
tors. eta vs tors. theta energy: -141.999
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: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1862.311570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.311570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.311570 (E_RNA)
where:
Base-Base interactions energy: -1239.509
where: short stacking energy: -550.180
Base-Backbone interact. energy: -3.233
local terms energy: -619.569262
where:
bonds (distance) C4'-P energy: -126.605
bonds (distance) P-C4' energy: -139.564
flat angles C4'-P-C4' energy: -128.863
flat angles P-C4'-P energy: -76.273
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1611.278080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.278080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.278080 (E_RNA)
where:
Base-Base interactions energy: -1053.714
where: short stacking energy: -465.724
Base-Backbone interact. energy: -4.424
local terms energy: -553.140057
where:
bonds (distance) C4'-P energy: -120.301
bonds (distance) P-C4' energy: -120.185
flat angles C4'-P-C4' energy: -124.424
flat angles P-C4'-P energy: -76.472
tors. eta vs tors. theta energy: -111.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1639.928324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.928324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.928324 (E_RNA)
where:
Base-Base interactions energy: -1099.723
where: short stacking energy: -467.123
Base-Backbone interact. energy: -1.855
local terms energy: -538.350453
where:
bonds (distance) C4'-P energy: -113.298
bonds (distance) P-C4' energy: -109.512
flat angles C4'-P-C4' energy: -119.841
flat angles P-C4'-P energy: -76.847
tors. eta vs tors. theta energy: -118.853
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: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1409.427617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.427617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.427617 (E_RNA)
where:
Base-Base interactions energy: -875.620
where: short stacking energy: -429.352
Base-Backbone interact. energy: -0.910
local terms energy: -532.897481
where:
bonds (distance) C4'-P energy: -115.014
bonds (distance) P-C4' energy: -135.851
flat angles C4'-P-C4' energy: -113.399
flat angles P-C4'-P energy: -69.795
tors. eta vs tors. theta energy: -98.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1038.067482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.067482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.067482 (E_RNA)
where:
Base-Base interactions energy: -579.973
where: short stacking energy: -348.290
Base-Backbone interact. energy: 3.783
local terms energy: -461.878178
where:
bonds (distance) C4'-P energy: -92.664
bonds (distance) P-C4' energy: -107.666
flat angles C4'-P-C4' energy: -122.492
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -884.114418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.114418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.114418 (E_RNA)
where:
Base-Base interactions energy: -461.109
where: short stacking energy: -254.277
Base-Backbone interact. energy: 0.797
local terms energy: -423.801766
where:
bonds (distance) C4'-P energy: -105.417
bonds (distance) P-C4' energy: -120.548
flat angles C4'-P-C4' energy: -109.230
flat angles P-C4'-P energy: -62.746
tors. eta vs tors. theta energy: -25.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -874.287078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.287078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.287078 (E_RNA)
where:
Base-Base interactions energy: -483.896
where: short stacking energy: -252.352
Base-Backbone interact. energy: -0.088
local terms energy: -390.302264
where:
bonds (distance) C4'-P energy: -92.701
bonds (distance) P-C4' energy: -123.769
flat angles C4'-P-C4' energy: -97.419
flat angles P-C4'-P energy: -58.568
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -648.324096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.324096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.324096 (E_RNA)
where:
Base-Base interactions energy: -300.958
where: short stacking energy: -174.268
Base-Backbone interact. energy: -3.818
local terms energy: -343.548211
where:
bonds (distance) C4'-P energy: -111.272
bonds (distance) P-C4' energy: -104.182
flat angles C4'-P-C4' energy: -86.705
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: 4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2038.322635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.322635 (E_RNA)
where:
Base-Base interactions energy: -1388.578
where: short stacking energy: -602.776
Base-Backbone interact. energy: -0.014
local terms energy: -649.730389
where:
bonds (distance) C4'-P energy: -133.552
bonds (distance) P-C4' energy: -135.436
flat angles C4'-P-C4' energy: -134.243
flat angles P-C4'-P energy: -95.226
tors. eta vs tors. theta energy: -151.273
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: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1957.872380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.872380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.872380 (E_RNA)
where:
Base-Base interactions energy: -1314.187
where: short stacking energy: -562.624
Base-Backbone interact. energy: -0.106
local terms energy: -643.578880
where:
bonds (distance) C4'-P energy: -131.061
bonds (distance) P-C4' energy: -133.400
flat angles C4'-P-C4' energy: -136.812
flat angles P-C4'-P energy: -97.510
tors. eta vs tors. theta energy: -144.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1838.576141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.576141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.576141 (E_RNA)
where:
Base-Base interactions energy: -1219.742
where: short stacking energy: -546.391
Base-Backbone interact. energy: -0.734
local terms energy: -618.099756
where:
bonds (distance) C4'-P energy: -131.573
bonds (distance) P-C4' energy: -123.718
flat angles C4'-P-C4' energy: -136.479
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -145.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1701.263959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.263959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.263959 (E_RNA)
where:
Base-Base interactions energy: -1124.692
where: short stacking energy: -511.484
Base-Backbone interact. energy: -1.158
local terms energy: -575.414656
where:
bonds (distance) C4'-P energy: -111.806
bonds (distance) P-C4' energy: -122.172
flat angles C4'-P-C4' energy: -121.802
flat angles P-C4'-P energy: -85.885
tors. eta vs tors. theta energy: -133.750
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: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1520.044386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.044386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.044386 (E_RNA)
where:
Base-Base interactions energy: -984.356
where: short stacking energy: -439.196
Base-Backbone interact. energy: -0.400
local terms energy: -535.288578
where:
bonds (distance) C4'-P energy: -110.097
bonds (distance) P-C4' energy: -115.305
flat angles C4'-P-C4' energy: -126.934
flat angles P-C4'-P energy: -84.512
tors. eta vs tors. theta energy: -98.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1371.950162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.950162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.950162 (E_RNA)
where:
Base-Base interactions energy: -876.757
where: short stacking energy: -374.323
Base-Backbone interact. energy: -0.759
local terms energy: -494.433871
where:
bonds (distance) C4'-P energy: -108.764
bonds (distance) P-C4' energy: -110.289
flat angles C4'-P-C4' energy: -123.609
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -82.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1017.983864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.983864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.983864 (E_RNA)
where:
Base-Base interactions energy: -553.154
where: short stacking energy: -314.475
Base-Backbone interact. energy: 3.033
local terms energy: -467.862918
where:
bonds (distance) C4'-P energy: -119.675
bonds (distance) P-C4' energy: -120.539
flat angles C4'-P-C4' energy: -105.421
flat angles P-C4'-P energy: -67.077
tors. eta vs tors. theta energy: -55.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -940.472587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.472587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.472587 (E_RNA)
where:
Base-Base interactions energy: -500.462
where: short stacking energy: -260.597
Base-Backbone interact. energy: 3.055
local terms energy: -443.065615
where:
bonds (distance) C4'-P energy: -98.682
bonds (distance) P-C4' energy: -133.875
flat angles C4'-P-C4' energy: -107.282
flat angles P-C4'-P energy: -63.857
tors. eta vs tors. theta energy: -39.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -881.919296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.919296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.919296 (E_RNA)
where:
Base-Base interactions energy: -470.632
where: short stacking energy: -210.836
Base-Backbone interact. energy: -1.096
local terms energy: -410.192065
where:
bonds (distance) C4'-P energy: -118.397
bonds (distance) P-C4' energy: -122.524
flat angles C4'-P-C4' energy: -104.567
flat angles P-C4'-P energy: -54.206
tors. eta vs tors. theta energy: -10.498
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: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -635.873401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.873401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.873401 (E_RNA)
where:
Base-Base interactions energy: -291.238
where: short stacking energy: -193.893
Base-Backbone interact. energy: 0.594
local terms energy: -345.230025
where:
bonds (distance) C4'-P energy: -93.838
bonds (distance) P-C4' energy: -102.022
flat angles C4'-P-C4' energy: -100.110
flat angles P-C4'-P energy: -61.514
tors. eta vs tors. theta energy: 12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2008.287537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.287537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.287537 (E_RNA)
where:
Base-Base interactions energy: -1358.187
where: short stacking energy: -583.232
Base-Backbone interact. energy: -0.736
local terms energy: -649.364537
where:
bonds (distance) C4'-P energy: -141.410
bonds (distance) P-C4' energy: -130.468
flat angles C4'-P-C4' energy: -131.513
flat angles P-C4'-P energy: -94.035
tors. eta vs tors. theta energy: -151.939
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1965.382108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.382108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.382108 (E_RNA)
where:
Base-Base interactions energy: -1350.748
where: short stacking energy: -563.076
Base-Backbone interact. energy: -1.598
local terms energy: -613.035473
where:
bonds (distance) C4'-P energy: -126.986
bonds (distance) P-C4' energy: -128.851
flat angles C4'-P-C4' energy: -128.406
flat angles P-C4'-P energy: -90.142
tors. eta vs tors. theta energy: -138.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1874.514695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.514695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.514695 (E_RNA)
where:
Base-Base interactions energy: -1260.259
where: short stacking energy: -582.323
Base-Backbone interact. energy: -2.203
local terms energy: -612.052711
where:
bonds (distance) C4'-P energy: -110.468
bonds (distance) P-C4' energy: -119.989
flat angles C4'-P-C4' energy: -133.372
flat angles P-C4'-P energy: -94.179
tors. eta vs tors. theta energy: -154.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1714.478393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.478393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.478393 (E_RNA)
where:
Base-Base interactions energy: -1119.926
where: short stacking energy: -505.424
Base-Backbone interact. energy: 4.446
local terms energy: -598.998459
where:
bonds (distance) C4'-P energy: -131.630
bonds (distance) P-C4' energy: -130.076
flat angles C4'-P-C4' energy: -133.451
flat angles P-C4'-P energy: -82.073
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: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1488.704585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.704585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.704585 (E_RNA)
where:
Base-Base interactions energy: -962.857
where: short stacking energy: -456.678
Base-Backbone interact. energy: -1.531
local terms energy: -524.316398
where:
bonds (distance) C4'-P energy: -102.890
bonds (distance) P-C4' energy: -112.160
flat angles C4'-P-C4' energy: -135.256
flat angles P-C4'-P energy: -76.767
tors. eta vs tors. theta energy: -97.244
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: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1416.019561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.019561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.019561 (E_RNA)
where:
Base-Base interactions energy: -927.996
where: short stacking energy: -422.540
Base-Backbone interact. energy: -3.134
local terms energy: -484.889614
where:
bonds (distance) C4'-P energy: -103.405
bonds (distance) P-C4' energy: -100.057
flat angles C4'-P-C4' energy: -107.357
flat angles P-C4'-P energy: -65.464
tors. eta vs tors. theta energy: -108.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1082.442514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.442514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.442514 (E_RNA)
where:
Base-Base interactions energy: -623.282
where: short stacking energy: -334.766
Base-Backbone interact. energy: 5.075
local terms energy: -464.235569
where:
bonds (distance) C4'-P energy: -108.807
bonds (distance) P-C4' energy: -103.959
flat angles C4'-P-C4' energy: -109.038
flat angles P-C4'-P energy: -83.260
tors. eta vs tors. theta energy: -59.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -917.659063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.659063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.659063 (E_RNA)
where:
Base-Base interactions energy: -497.800
where: short stacking energy: -268.530
Base-Backbone interact. energy: -1.331
local terms energy: -418.527961
where:
bonds (distance) C4'-P energy: -114.016
bonds (distance) P-C4' energy: -114.111
flat angles C4'-P-C4' energy: -112.958
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -34.501
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: 32
Temperature: 1.300000
Total energy: -909.078955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.078955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.078955 (E_RNA)
where:
Base-Base interactions energy: -499.159
where: short stacking energy: -266.871
Base-Backbone interact. energy: 6.884
local terms energy: -416.803766
where:
bonds (distance) C4'-P energy: -98.603
bonds (distance) P-C4' energy: -110.947
flat angles C4'-P-C4' energy: -110.692
flat angles P-C4'-P energy: -64.014
tors. eta vs tors. theta energy: -32.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -644.643129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.643129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.643129 (E_RNA)
where:
Base-Base interactions energy: -247.204
where: short stacking energy: -163.210
Base-Backbone interact. energy: 1.152
local terms energy: -398.591083
where:
bonds (distance) C4'-P energy: -131.366
bonds (distance) P-C4' energy: -124.028
flat angles C4'-P-C4' energy: -87.488
flat angles P-C4'-P energy: -65.376
tors. eta vs tors. theta energy: 9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2028.554435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.554435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.554435 (E_RNA)
where:
Base-Base interactions energy: -1372.392
where: short stacking energy: -585.188
Base-Backbone interact. energy: -0.800
local terms energy: -655.363016
where:
bonds (distance) C4'-P energy: -131.751
bonds (distance) P-C4' energy: -137.268
flat angles C4'-P-C4' energy: -140.931
flat angles P-C4'-P energy: -89.901
tors. eta vs tors. theta energy: -155.511
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1937.846539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.846539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.846539 (E_RNA)
where:
Base-Base interactions energy: -1329.655
where: short stacking energy: -554.193
Base-Backbone interact. energy: -2.912
local terms energy: -605.279529
where:
bonds (distance) C4'-P energy: -127.074
bonds (distance) P-C4' energy: -124.934
flat angles C4'-P-C4' energy: -137.352
flat angles P-C4'-P energy: -75.225
tors. eta vs tors. theta energy: -140.695
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: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1828.419807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.419807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.419807 (E_RNA)
where:
Base-Base interactions energy: -1202.109
where: short stacking energy: -529.871
Base-Backbone interact. energy: 0.132
local terms energy: -626.442742
where:
bonds (distance) C4'-P energy: -122.989
bonds (distance) P-C4' energy: -140.445
flat angles C4'-P-C4' energy: -141.449
flat angles P-C4'-P energy: -87.404
tors. eta vs tors. theta energy: -134.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1733.115675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.115675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.115675 (E_RNA)
where:
Base-Base interactions energy: -1160.706
where: short stacking energy: -534.624
Base-Backbone interact. energy: -1.182
local terms energy: -571.227866
where:
bonds (distance) C4'-P energy: -106.116
bonds (distance) P-C4' energy: -122.456
flat angles C4'-P-C4' energy: -127.801
flat angles P-C4'-P energy: -76.580
tors. eta vs tors. theta energy: -138.275
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: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1484.006649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.006649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.006649 (E_RNA)
where:
Base-Base interactions energy: -966.856
where: short stacking energy: -428.357
Base-Backbone interact. energy: -2.152
local terms energy: -514.997965
where:
bonds (distance) C4'-P energy: -105.887
bonds (distance) P-C4' energy: -114.954
flat angles C4'-P-C4' energy: -131.941
flat angles P-C4'-P energy: -68.716
tors. eta vs tors. theta energy: -93.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1372.349039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.349039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.349039 (E_RNA)
where:
Base-Base interactions energy: -881.044
where: short stacking energy: -410.832
Base-Backbone interact. energy: 0.894
local terms energy: -492.199226
where:
bonds (distance) C4'-P energy: -125.334
bonds (distance) P-C4' energy: -108.395
flat angles C4'-P-C4' energy: -109.791
flat angles P-C4'-P energy: -64.626
tors. eta vs tors. theta energy: -84.053
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: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1084.788321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.788321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.788321 (E_RNA)
where:
Base-Base interactions energy: -622.541
where: short stacking energy: -331.465
Base-Backbone interact. energy: 0.308
local terms energy: -462.555221
where:
bonds (distance) C4'-P energy: -109.847
bonds (distance) P-C4' energy: -106.548
flat angles C4'-P-C4' energy: -110.835
flat angles P-C4'-P energy: -64.363
tors. eta vs tors. theta energy: -70.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -978.660519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.660519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.660519 (E_RNA)
where:
Base-Base interactions energy: -568.849
where: short stacking energy: -281.688
Base-Backbone interact. energy: 1.938
local terms energy: -411.749738
where:
bonds (distance) C4'-P energy: -98.172
bonds (distance) P-C4' energy: -96.788
flat angles C4'-P-C4' energy: -113.600
flat angles P-C4'-P energy: -68.472
tors. eta vs tors. theta energy: -34.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -882.165653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.165653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.165653 (E_RNA)
where:
Base-Base interactions energy: -479.269
where: short stacking energy: -257.979
Base-Backbone interact. energy: 1.411
local terms energy: -404.307487
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -117.628
flat angles C4'-P-C4' energy: -90.903
flat angles P-C4'-P energy: -63.231
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -630.258395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.258395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.258395 (E_RNA)
where:
Base-Base interactions energy: -308.633
where: short stacking energy: -192.012
Base-Backbone interact. energy: 5.532
local terms energy: -327.157408
where:
bonds (distance) C4'-P energy: -100.887
bonds (distance) P-C4' energy: -98.469
flat angles C4'-P-C4' energy: -93.491
flat angles P-C4'-P energy: -47.647
tors. eta vs tors. theta energy: 13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2037.603556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.603556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.603556 (E_RNA)
where:
Base-Base interactions energy: -1394.997
where: short stacking energy: -587.839
Base-Backbone interact. energy: 0.200
local terms energy: -642.806997
where:
bonds (distance) C4'-P energy: -124.119
bonds (distance) P-C4' energy: -133.856
flat angles C4'-P-C4' energy: -144.296
flat angles P-C4'-P energy: -88.654
tors. eta vs tors. theta energy: -151.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1924.165601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.165601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.165601 (E_RNA)
where:
Base-Base interactions energy: -1275.986
where: short stacking energy: -549.921
Base-Backbone interact. energy: 1.264
local terms energy: -649.443054
where:
bonds (distance) C4'-P energy: -136.432
bonds (distance) P-C4' energy: -141.991
flat angles C4'-P-C4' energy: -136.140
flat angles P-C4'-P energy: -102.445
tors. eta vs tors. theta energy: -132.435
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: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1878.230655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.230655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.230655 (E_RNA)
where:
Base-Base interactions energy: -1276.706
where: short stacking energy: -556.094
Base-Backbone interact. energy: 1.302
local terms energy: -602.826657
where:
bonds (distance) C4'-P energy: -120.007
bonds (distance) P-C4' energy: -125.527
flat angles C4'-P-C4' energy: -136.753
flat angles P-C4'-P energy: -74.910
tors. eta vs tors. theta energy: -145.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1734.407575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.407575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.407575 (E_RNA)
where:
Base-Base interactions energy: -1155.739
where: short stacking energy: -528.088
Base-Backbone interact. energy: -4.051
local terms energy: -574.617041
where:
bonds (distance) C4'-P energy: -123.794
bonds (distance) P-C4' energy: -124.704
flat angles C4'-P-C4' energy: -117.084
flat angles P-C4'-P energy: -74.478
tors. eta vs tors. theta energy: -134.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1527.941605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.941605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.941605 (E_RNA)
where:
Base-Base interactions energy: -990.081
where: short stacking energy: -451.793
Base-Backbone interact. energy: -0.781
local terms energy: -537.079432
where:
bonds (distance) C4'-P energy: -109.682
bonds (distance) P-C4' energy: -124.768
flat angles C4'-P-C4' energy: -128.336
flat angles P-C4'-P energy: -71.845
tors. eta vs tors. theta energy: -102.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1549.578955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.578955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.578955 (E_RNA)
where:
Base-Base interactions energy: -996.456
where: short stacking energy: -485.272
Base-Backbone interact. energy: -0.939
local terms energy: -552.184211
where:
bonds (distance) C4'-P energy: -120.330
bonds (distance) P-C4' energy: -114.107
flat angles C4'-P-C4' energy: -119.583
flat angles P-C4'-P energy: -90.618
tors. eta vs tors. theta energy: -107.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1070.693652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.693652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.693652 (E_RNA)
where:
Base-Base interactions energy: -637.868
where: short stacking energy: -349.708
Base-Backbone interact. energy: -2.675
local terms energy: -430.150780
where:
bonds (distance) C4'-P energy: -100.966
bonds (distance) P-C4' energy: -107.061
flat angles C4'-P-C4' energy: -100.329
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -59.926
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -997.303501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.303501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.303501 (E_RNA)
where:
Base-Base interactions energy: -583.702
where: short stacking energy: -280.966
Base-Backbone interact. energy: 12.983
local terms energy: -426.585083
where:
bonds (distance) C4'-P energy: -107.261
bonds (distance) P-C4' energy: -96.935
flat angles C4'-P-C4' energy: -105.641
flat angles P-C4'-P energy: -71.981
tors. eta vs tors. theta energy: -44.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -909.401788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.401788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.401788 (E_RNA)
where:
Base-Base interactions energy: -513.342
where: short stacking energy: -282.383
Base-Backbone interact. energy: 3.541
local terms energy: -399.601214
where:
bonds (distance) C4'-P energy: -103.277
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -120.955
flat angles P-C4'-P energy: -63.893
tors. eta vs tors. theta energy: -9.599
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: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -641.334677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.334677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.334677 (E_RNA)
where:
Base-Base interactions energy: -265.726
where: short stacking energy: -168.664
Base-Backbone interact. energy: 10.215
local terms energy: -385.823192
where:
bonds (distance) C4'-P energy: -104.897
bonds (distance) P-C4' energy: -137.414
flat angles C4'-P-C4' energy: -80.640
flat angles P-C4'-P energy: -63.718
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2017.171636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.171636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.171636 (E_RNA)
where:
Base-Base interactions energy: -1349.484
where: short stacking energy: -580.059
Base-Backbone interact. energy: -2.126
local terms energy: -665.561603
where:
bonds (distance) C4'-P energy: -127.795
bonds (distance) P-C4' energy: -143.463
flat angles C4'-P-C4' energy: -144.346
flat angles P-C4'-P energy: -98.039
tors. eta vs tors. theta energy: -151.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1952.452412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.452412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.452412 (E_RNA)
where:
Base-Base interactions energy: -1308.313
where: short stacking energy: -565.935
Base-Backbone interact. energy: -4.665
local terms energy: -639.474610
where:
bonds (distance) C4'-P energy: -128.066
bonds (distance) P-C4' energy: -130.125
flat angles C4'-P-C4' energy: -143.864
flat angles P-C4'-P energy: -87.254
tors. eta vs tors. theta energy: -150.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1893.333735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.333735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.333735 (E_RNA)
where:
Base-Base interactions energy: -1317.707
where: short stacking energy: -562.603
Base-Backbone interact. energy: 0.993
local terms energy: -576.619870
where:
bonds (distance) C4'-P energy: -97.912
bonds (distance) P-C4' energy: -118.159
flat angles C4'-P-C4' energy: -143.483
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -142.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1694.880165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.880165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.880165 (E_RNA)
where:
Base-Base interactions energy: -1107.693
where: short stacking energy: -505.983
Base-Backbone interact. energy: -4.028
local terms energy: -583.159211
where:
bonds (distance) C4'-P energy: -114.738
bonds (distance) P-C4' energy: -128.821
flat angles C4'-P-C4' energy: -133.633
flat angles P-C4'-P energy: -88.774
tors. eta vs tors. theta energy: -117.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1507.827325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.827325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.827325 (E_RNA)
where:
Base-Base interactions energy: -958.456
where: short stacking energy: -454.310
Base-Backbone interact. energy: 0.200
local terms energy: -549.571669
where:
bonds (distance) C4'-P energy: -128.508
bonds (distance) P-C4' energy: -128.269
flat angles C4'-P-C4' energy: -123.914
flat angles P-C4'-P energy: -72.022
tors. eta vs tors. theta energy: -96.858
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: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1449.030610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.030610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.030610 (E_RNA)
where:
Base-Base interactions energy: -959.670
where: short stacking energy: -444.410
Base-Backbone interact. energy: -2.213
local terms energy: -487.148266
where:
bonds (distance) C4'-P energy: -99.679
bonds (distance) P-C4' energy: -115.907
flat angles C4'-P-C4' energy: -108.165
flat angles P-C4'-P energy: -65.298
tors. eta vs tors. theta energy: -98.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1047.423056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.423056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.423056 (E_RNA)
where:
Base-Base interactions energy: -552.708
where: short stacking energy: -322.870
Base-Backbone interact. energy: -0.498
local terms energy: -494.216800
where:
bonds (distance) C4'-P energy: -121.655
bonds (distance) P-C4' energy: -121.946
flat angles C4'-P-C4' energy: -120.939
flat angles P-C4'-P energy: -85.099
tors. eta vs tors. theta energy: -44.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1079.543481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.543481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.543481 (E_RNA)
where:
Base-Base interactions energy: -618.913
where: short stacking energy: -323.269
Base-Backbone interact. energy: -2.506
local terms energy: -458.124371
where:
bonds (distance) C4'-P energy: -114.358
bonds (distance) P-C4' energy: -118.098
flat angles C4'-P-C4' energy: -104.932
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -866.463940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.463940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.463940 (E_RNA)
where:
Base-Base interactions energy: -488.075
where: short stacking energy: -264.757
Base-Backbone interact. energy: -0.609
local terms energy: -377.780210
where:
bonds (distance) C4'-P energy: -106.018
bonds (distance) P-C4' energy: -85.745
flat angles C4'-P-C4' energy: -107.913
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -10.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -633.395373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.395373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.395373 (E_RNA)
where:
Base-Base interactions energy: -319.333
where: short stacking energy: -205.255
Base-Backbone interact. energy: 6.809
local terms energy: -320.871014
where:
bonds (distance) C4'-P energy: -95.439
bonds (distance) P-C4' energy: -107.066
flat angles C4'-P-C4' energy: -86.127
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1997.440535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.440535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.440535 (E_RNA)
where:
Base-Base interactions energy: -1327.528
where: short stacking energy: -572.854
Base-Backbone interact. energy: -0.496
local terms energy: -669.416999
where:
bonds (distance) C4'-P energy: -122.942
bonds (distance) P-C4' energy: -147.754
flat angles C4'-P-C4' energy: -154.486
flat angles P-C4'-P energy: -92.895
tors. eta vs tors. theta energy: -151.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1947.727552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.727552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.727552 (E_RNA)
where:
Base-Base interactions energy: -1326.717
where: short stacking energy: -566.623
Base-Backbone interact. energy: -3.851
local terms energy: -617.159360
where:
bonds (distance) C4'-P energy: -123.628
bonds (distance) P-C4' energy: -134.668
flat angles C4'-P-C4' energy: -140.124
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -136.778
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: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1881.362337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.362337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.362337 (E_RNA)
where:
Base-Base interactions energy: -1269.487
where: short stacking energy: -539.220
Base-Backbone interact. energy: -1.546
local terms energy: -610.328933
where:
bonds (distance) C4'-P energy: -109.526
bonds (distance) P-C4' energy: -132.487
flat angles C4'-P-C4' energy: -138.171
flat angles P-C4'-P energy: -83.614
tors. eta vs tors. theta energy: -146.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1742.224205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.224205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.224205 (E_RNA)
where:
Base-Base interactions energy: -1151.743
where: short stacking energy: -532.269
Base-Backbone interact. energy: -5.486
local terms energy: -584.994938
where:
bonds (distance) C4'-P energy: -118.981
bonds (distance) P-C4' energy: -117.510
flat angles C4'-P-C4' energy: -129.994
flat angles P-C4'-P energy: -79.042
tors. eta vs tors. theta energy: -139.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1539.273388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.273388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.273388 (E_RNA)
where:
Base-Base interactions energy: -996.515
where: short stacking energy: -437.738
Base-Backbone interact. energy: -4.224
local terms energy: -538.534581
where:
bonds (distance) C4'-P energy: -108.474
bonds (distance) P-C4' energy: -118.162
flat angles C4'-P-C4' energy: -126.223
flat angles P-C4'-P energy: -80.834
tors. eta vs tors. theta energy: -104.841
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: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1509.997842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.997842 (E_RNA)
where:
Base-Base interactions energy: -963.468
where: short stacking energy: -471.447
Base-Backbone interact. energy: 1.692
local terms energy: -548.220908
where:
bonds (distance) C4'-P energy: -117.270
bonds (distance) P-C4' energy: -124.114
flat angles C4'-P-C4' energy: -126.234
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -109.158
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: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1024.557968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.557968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.557968 (E_RNA)
where:
Base-Base interactions energy: -567.661
where: short stacking energy: -330.025
Base-Backbone interact. energy: 2.763
local terms energy: -459.659814
where:
bonds (distance) C4'-P energy: -99.257
bonds (distance) P-C4' energy: -134.915
flat angles C4'-P-C4' energy: -105.419
flat angles P-C4'-P energy: -56.146
tors. eta vs tors. theta energy: -63.922
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: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1134.928772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.928772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.928772 (E_RNA)
where:
Base-Base interactions energy: -670.543
where: short stacking energy: -354.039
Base-Backbone interact. energy: 3.061
local terms energy: -467.447583
where:
bonds (distance) C4'-P energy: -97.055
bonds (distance) P-C4' energy: -114.643
flat angles C4'-P-C4' energy: -116.289
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -67.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -871.418526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.418526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.418526 (E_RNA)
where:
Base-Base interactions energy: -498.963
where: short stacking energy: -272.530
Base-Backbone interact. energy: -1.679
local terms energy: -370.776312
where:
bonds (distance) C4'-P energy: -102.589
bonds (distance) P-C4' energy: -114.237
flat angles C4'-P-C4' energy: -86.136
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -25.584
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: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -695.727249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.727249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.727249 (E_RNA)
where:
Base-Base interactions energy: -344.089
where: short stacking energy: -223.560
Base-Backbone interact. energy: 1.489
local terms energy: -353.127484
where:
bonds (distance) C4'-P energy: -90.448
bonds (distance) P-C4' energy: -101.151
flat angles C4'-P-C4' energy: -94.655
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2024.086363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.086363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.086363 (E_RNA)
where:
Base-Base interactions energy: -1353.427
where: short stacking energy: -589.499
Base-Backbone interact. energy: -5.045
local terms energy: -665.614255
where:
bonds (distance) C4'-P energy: -117.251
bonds (distance) P-C4' energy: -145.002
flat angles C4'-P-C4' energy: -157.009
flat angles P-C4'-P energy: -89.285
tors. eta vs tors. theta energy: -157.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1978.062590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.062590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.062590 (E_RNA)
where:
Base-Base interactions energy: -1322.314
where: short stacking energy: -568.812
Base-Backbone interact. energy: -5.037
local terms energy: -650.711570
where:
bonds (distance) C4'-P energy: -121.120
bonds (distance) P-C4' energy: -135.044
flat angles C4'-P-C4' energy: -146.856
flat angles P-C4'-P energy: -91.078
tors. eta vs tors. theta energy: -156.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1817.350736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.350736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.350736 (E_RNA)
where:
Base-Base interactions energy: -1215.510
where: short stacking energy: -507.210
Base-Backbone interact. energy: -2.329
local terms energy: -599.512011
where:
bonds (distance) C4'-P energy: -114.149
bonds (distance) P-C4' energy: -130.860
flat angles C4'-P-C4' energy: -145.361
flat angles P-C4'-P energy: -86.878
tors. eta vs tors. theta energy: -122.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1752.248928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.248928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.248928 (E_RNA)
where:
Base-Base interactions energy: -1145.195
where: short stacking energy: -540.374
Base-Backbone interact. energy: -4.698
local terms energy: -602.356105
where:
bonds (distance) C4'-P energy: -134.390
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -132.102
flat angles P-C4'-P energy: -75.389
tors. eta vs tors. theta energy: -138.017
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1498.089881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.089881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.089881 (E_RNA)
where:
Base-Base interactions energy: -983.157
where: short stacking energy: -468.493
Base-Backbone interact. energy: -1.523
local terms energy: -513.409101
where:
bonds (distance) C4'-P energy: -93.628
bonds (distance) P-C4' energy: -119.577
flat angles C4'-P-C4' energy: -132.963
flat angles P-C4'-P energy: -68.784
tors. eta vs tors. theta energy: -98.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1470.214270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.214270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.214270 (E_RNA)
where:
Base-Base interactions energy: -948.895
where: short stacking energy: -411.420
Base-Backbone interact. energy: -0.818
local terms energy: -520.502141
where:
bonds (distance) C4'-P energy: -122.480
bonds (distance) P-C4' energy: -120.764
flat angles C4'-P-C4' energy: -130.028
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -82.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1082.603553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.603553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.603553 (E_RNA)
where:
Base-Base interactions energy: -621.763
where: short stacking energy: -338.011
Base-Backbone interact. energy: -0.332
local terms energy: -460.508627
where:
bonds (distance) C4'-P energy: -132.263
bonds (distance) P-C4' energy: -111.776
flat angles C4'-P-C4' energy: -110.450
flat angles P-C4'-P energy: -58.253
tors. eta vs tors. theta energy: -47.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1045.308344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.308344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.308344 (E_RNA)
where:
Base-Base interactions energy: -620.497
where: short stacking energy: -289.695
Base-Backbone interact. energy: 2.738
local terms energy: -427.549180
where:
bonds (distance) C4'-P energy: -96.445
bonds (distance) P-C4' energy: -133.158
flat angles C4'-P-C4' energy: -97.473
flat angles P-C4'-P energy: -46.291
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -863.363242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.363242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.363242 (E_RNA)
where:
Base-Base interactions energy: -419.659
where: short stacking energy: -245.195
Base-Backbone interact. energy: 0.877
local terms energy: -444.581834
where:
bonds (distance) C4'-P energy: -114.519
bonds (distance) P-C4' energy: -121.353
flat angles C4'-P-C4' energy: -111.262
flat angles P-C4'-P energy: -67.669
tors. eta vs tors. theta energy: -29.779
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -632.256456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.256456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.256456 (E_RNA)
where:
Base-Base interactions energy: -295.692
where: short stacking energy: -157.658
Base-Backbone interact. energy: -3.514
local terms energy: -333.050789
where:
bonds (distance) C4'-P energy: -106.175
bonds (distance) P-C4' energy: -106.954
flat angles C4'-P-C4' energy: -93.280
flat angles P-C4'-P energy: -48.610
tors. eta vs tors. theta energy: 21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2021.578045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.578045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.578045 (E_RNA)
where:
Base-Base interactions energy: -1369.173
where: short stacking energy: -602.860
Base-Backbone interact. energy: -2.045
local terms energy: -650.360325
where:
bonds (distance) C4'-P energy: -132.795
bonds (distance) P-C4' energy: -136.816
flat angles C4'-P-C4' energy: -143.131
flat angles P-C4'-P energy: -80.940
tors. eta vs tors. theta energy: -156.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1951.307148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.307148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.307148 (E_RNA)
where:
Base-Base interactions energy: -1316.065
where: short stacking energy: -554.988
Base-Backbone interact. energy: -5.948
local terms energy: -629.293905
where:
bonds (distance) C4'-P energy: -123.183
bonds (distance) P-C4' energy: -126.356
flat angles C4'-P-C4' energy: -136.541
flat angles P-C4'-P energy: -89.787
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: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1844.524687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.524687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.524687 (E_RNA)
where:
Base-Base interactions energy: -1239.480
where: short stacking energy: -525.973
Base-Backbone interact. energy: 0.756
local terms energy: -605.800453
where:
bonds (distance) C4'-P energy: -128.280
bonds (distance) P-C4' energy: -141.873
flat angles C4'-P-C4' energy: -113.811
flat angles P-C4'-P energy: -80.110
tors. eta vs tors. theta energy: -141.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1767.644183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.644183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.644183 (E_RNA)
where:
Base-Base interactions energy: -1166.064
where: short stacking energy: -518.564
Base-Backbone interact. energy: 4.182
local terms energy: -605.761509
where:
bonds (distance) C4'-P energy: -120.972
bonds (distance) P-C4' energy: -131.132
flat angles C4'-P-C4' energy: -134.270
flat angles P-C4'-P energy: -86.326
tors. eta vs tors. theta energy: -133.062
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: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1527.855991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.855991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.855991 (E_RNA)
where:
Base-Base interactions energy: -1001.170
where: short stacking energy: -447.280
Base-Backbone interact. energy: -1.158
local terms energy: -525.527388
where:
bonds (distance) C4'-P energy: -107.095
bonds (distance) P-C4' energy: -127.828
flat angles C4'-P-C4' energy: -119.712
flat angles P-C4'-P energy: -57.201
tors. eta vs tors. theta energy: -113.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1429.279047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.279047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.279047 (E_RNA)
where:
Base-Base interactions energy: -910.376
where: short stacking energy: -411.075
Base-Backbone interact. energy: -1.073
local terms energy: -517.829882
where:
bonds (distance) C4'-P energy: -116.894
bonds (distance) P-C4' energy: -124.236
flat angles C4'-P-C4' energy: -119.331
flat angles P-C4'-P energy: -66.828
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: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1076.543258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.543258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.543258 (E_RNA)
where:
Base-Base interactions energy: -602.530
where: short stacking energy: -319.290
Base-Backbone interact. energy: -2.409
local terms energy: -471.603838
where:
bonds (distance) C4'-P energy: -109.764
bonds (distance) P-C4' energy: -111.663
flat angles C4'-P-C4' energy: -127.620
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -44.659
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: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1098.875393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.875393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.875393 (E_RNA)
where:
Base-Base interactions energy: -637.002
where: short stacking energy: -303.964
Base-Backbone interact. energy: -1.827
local terms energy: -460.046548
where:
bonds (distance) C4'-P energy: -109.555
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -110.670
flat angles P-C4'-P energy: -64.659
tors. eta vs tors. theta energy: -52.974
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: 38
Temperature: 1.300000
Total energy: -863.646525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.646525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.646525 (E_RNA)
where:
Base-Base interactions energy: -481.279
where: short stacking energy: -246.502
Base-Backbone interact. energy: 2.751
local terms energy: -385.119138
where:
bonds (distance) C4'-P energy: -95.518
bonds (distance) P-C4' energy: -105.451
flat angles C4'-P-C4' energy: -97.514
flat angles P-C4'-P energy: -71.694
tors. eta vs tors. theta energy: -14.941
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: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -686.238024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.238024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.238024 (E_RNA)
where:
Base-Base interactions energy: -331.127
where: short stacking energy: -202.117
Base-Backbone interact. energy: 0.564
local terms energy: -355.675172
where:
bonds (distance) C4'-P energy: -98.003
bonds (distance) P-C4' energy: -110.400
flat angles C4'-P-C4' energy: -74.963
flat angles P-C4'-P energy: -68.704
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2023.773644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.773644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.773644 (E_RNA)
where:
Base-Base interactions energy: -1352.803
where: short stacking energy: -579.424
Base-Backbone interact. energy: -2.231
local terms energy: -668.739367
where:
bonds (distance) C4'-P energy: -141.728
bonds (distance) P-C4' energy: -141.059
flat angles C4'-P-C4' energy: -151.897
flat angles P-C4'-P energy: -83.214
tors. eta vs tors. theta energy: -150.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1959.755597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.755597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.755597 (E_RNA)
where:
Base-Base interactions energy: -1336.117
where: short stacking energy: -566.409
Base-Backbone interact. energy: -6.092
local terms energy: -617.546298
where:
bonds (distance) C4'-P energy: -111.453
bonds (distance) P-C4' energy: -125.302
flat angles C4'-P-C4' energy: -149.235
flat angles P-C4'-P energy: -93.673
tors. eta vs tors. theta energy: -137.883
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1814.921677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.921677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.921677 (E_RNA)
where:
Base-Base interactions energy: -1216.623
where: short stacking energy: -537.268
Base-Backbone interact. energy: -0.348
local terms energy: -597.950664
where:
bonds (distance) C4'-P energy: -130.061
bonds (distance) P-C4' energy: -120.093
flat angles C4'-P-C4' energy: -126.936
flat angles P-C4'-P energy: -83.513
tors. eta vs tors. theta energy: -137.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1782.735542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.735542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.735542 (E_RNA)
where:
Base-Base interactions energy: -1173.279
where: short stacking energy: -486.965
Base-Backbone interact. energy: -4.623
local terms energy: -604.834132
where:
bonds (distance) C4'-P energy: -123.680
bonds (distance) P-C4' energy: -131.459
flat angles C4'-P-C4' energy: -142.366
flat angles P-C4'-P energy: -83.037
tors. eta vs tors. theta energy: -124.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1576.617991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.617991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.617991 (E_RNA)
where:
Base-Base interactions energy: -1039.332
where: short stacking energy: -483.610
Base-Backbone interact. energy: -2.519
local terms energy: -534.767546
where:
bonds (distance) C4'-P energy: -119.591
bonds (distance) P-C4' energy: -113.275
flat angles C4'-P-C4' energy: -123.745
flat angles P-C4'-P energy: -69.923
tors. eta vs tors. theta energy: -108.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1310.441705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.441705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.441705 (E_RNA)
where:
Base-Base interactions energy: -833.588
where: short stacking energy: -411.571
Base-Backbone interact. energy: 1.491
local terms energy: -478.344738
where:
bonds (distance) C4'-P energy: -105.479
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -116.662
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -75.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1089.128534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.128534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.128534 (E_RNA)
where:
Base-Base interactions energy: -615.800
where: short stacking energy: -316.047
Base-Backbone interact. energy: -2.079
local terms energy: -471.249433
where:
bonds (distance) C4'-P energy: -130.045
bonds (distance) P-C4' energy: -102.835
flat angles C4'-P-C4' energy: -122.004
flat angles P-C4'-P energy: -61.208
tors. eta vs tors. theta energy: -55.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1052.319126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.319126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.319126 (E_RNA)
where:
Base-Base interactions energy: -628.987
where: short stacking energy: -336.830
Base-Backbone interact. energy: 0.540
local terms energy: -423.872124
where:
bonds (distance) C4'-P energy: -80.508
bonds (distance) P-C4' energy: -114.425
flat angles C4'-P-C4' energy: -110.192
flat angles P-C4'-P energy: -63.661
tors. eta vs tors. theta energy: -55.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -841.558685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.558685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.558685 (E_RNA)
where:
Base-Base interactions energy: -456.573
where: short stacking energy: -232.212
Base-Backbone interact. energy: 2.403
local terms energy: -387.388487
where:
bonds (distance) C4'-P energy: -110.398
bonds (distance) P-C4' energy: -101.436
flat angles C4'-P-C4' energy: -95.461
flat angles P-C4'-P energy: -63.111
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -738.311999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.311999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.311999 (E_RNA)
where:
Base-Base interactions energy: -389.177
where: short stacking energy: -232.559
Base-Backbone interact. energy: 4.091
local terms energy: -353.226805
where:
bonds (distance) C4'-P energy: -116.726
bonds (distance) P-C4' energy: -103.113
flat angles C4'-P-C4' energy: -80.693
flat angles P-C4'-P energy: -56.216
tors. eta vs tors. theta energy: 3.522
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: 40
Temperature: 0.900000
Total energy: -2024.998983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.998983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.998983 (E_RNA)
where:
Base-Base interactions energy: -1390.803
where: short stacking energy: -591.857
Base-Backbone interact. energy: -3.523
local terms energy: -630.673526
where:
bonds (distance) C4'-P energy: -131.335
bonds (distance) P-C4' energy: -120.950
flat angles C4'-P-C4' energy: -143.769
flat angles P-C4'-P energy: -82.172
tors. eta vs tors. theta energy: -152.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1956.851346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.851346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.851346 (E_RNA)
where:
Base-Base interactions energy: -1314.836
where: short stacking energy: -578.791
Base-Backbone interact. energy: -3.824
local terms energy: -638.191256
where:
bonds (distance) C4'-P energy: -118.701
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -145.253
flat angles P-C4'-P energy: -99.136
tors. eta vs tors. theta energy: -149.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1876.513085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.513085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.513085 (E_RNA)
where:
Base-Base interactions energy: -1272.521
where: short stacking energy: -523.192
Base-Backbone interact. energy: -1.008
local terms energy: -602.983538
where:
bonds (distance) C4'-P energy: -118.442
bonds (distance) P-C4' energy: -131.865
flat angles C4'-P-C4' energy: -141.183
flat angles P-C4'-P energy: -79.189
tors. eta vs tors. theta energy: -132.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1753.770201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.770201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.770201 (E_RNA)
where:
Base-Base interactions energy: -1119.849
where: short stacking energy: -547.134
Base-Backbone interact. energy: -2.100
local terms energy: -631.821707
where:
bonds (distance) C4'-P energy: -120.455
bonds (distance) P-C4' energy: -128.291
flat angles C4'-P-C4' energy: -140.543
flat angles P-C4'-P energy: -95.475
tors. eta vs tors. theta energy: -147.058
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: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1568.267439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.267439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.267439 (E_RNA)
where:
Base-Base interactions energy: -1007.377
where: short stacking energy: -465.654
Base-Backbone interact. energy: -2.641
local terms energy: -558.249315
where:
bonds (distance) C4'-P energy: -111.685
bonds (distance) P-C4' energy: -127.012
flat angles C4'-P-C4' energy: -129.112
flat angles P-C4'-P energy: -78.477
tors. eta vs tors. theta energy: -111.964
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: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1278.583668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.583668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.583668 (E_RNA)
where:
Base-Base interactions energy: -776.856
where: short stacking energy: -384.979
Base-Backbone interact. energy: 3.661
local terms energy: -505.387801
where:
bonds (distance) C4'-P energy: -112.019
bonds (distance) P-C4' energy: -116.826
flat angles C4'-P-C4' energy: -119.919
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -83.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1146.060332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.060332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.060332 (E_RNA)
where:
Base-Base interactions energy: -644.170
where: short stacking energy: -337.227
Base-Backbone interact. energy: -0.543
local terms energy: -501.347491
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -117.077
flat angles P-C4'-P energy: -81.908
tors. eta vs tors. theta energy: -59.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1059.333181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.333181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.333181 (E_RNA)
where:
Base-Base interactions energy: -621.406
where: short stacking energy: -351.562
Base-Backbone interact. energy: -2.570
local terms energy: -435.357355
where:
bonds (distance) C4'-P energy: -111.206
bonds (distance) P-C4' energy: -99.490
flat angles C4'-P-C4' energy: -98.708
flat angles P-C4'-P energy: -75.255
tors. eta vs tors. theta energy: -50.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -894.356595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.356595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.356595 (E_RNA)
where:
Base-Base interactions energy: -520.094
where: short stacking energy: -243.662
Base-Backbone interact. energy: -1.851
local terms energy: -372.411741
where:
bonds (distance) C4'-P energy: -77.180
bonds (distance) P-C4' energy: -118.737
flat angles C4'-P-C4' energy: -97.621
flat angles P-C4'-P energy: -56.373
tors. eta vs tors. theta energy: -22.501
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: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -751.560116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.560116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.560116 (E_RNA)
where:
Base-Base interactions energy: -381.853
where: short stacking energy: -235.603
Base-Backbone interact. energy: -1.025
local terms energy: -368.682007
where:
bonds (distance) C4'-P energy: -108.736
bonds (distance) P-C4' energy: -101.475
flat angles C4'-P-C4' energy: -103.115
flat angles P-C4'-P energy: -56.955
tors. eta vs tors. theta energy: 1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2014.687148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.687148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.687148 (E_RNA)
where:
Base-Base interactions energy: -1371.098
where: short stacking energy: -574.106
Base-Backbone interact. energy: 5.958
local terms energy: -649.547689
where:
bonds (distance) C4'-P energy: -136.654
bonds (distance) P-C4' energy: -129.548
flat angles C4'-P-C4' energy: -136.648
flat angles P-C4'-P energy: -98.059
tors. eta vs tors. theta energy: -148.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2004.283302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.283302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.283302 (E_RNA)
where:
Base-Base interactions energy: -1350.563
where: short stacking energy: -593.869
Base-Backbone interact. energy: -2.207
local terms energy: -651.513825
where:
bonds (distance) C4'-P energy: -122.755
bonds (distance) P-C4' energy: -126.851
flat angles C4'-P-C4' energy: -142.946
flat angles P-C4'-P energy: -102.178
tors. eta vs tors. theta energy: -156.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1870.084106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.084106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.084106 (E_RNA)
where:
Base-Base interactions energy: -1294.235
where: short stacking energy: -526.865
Base-Backbone interact. energy: -1.033
local terms energy: -574.816047
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -114.544
flat angles C4'-P-C4' energy: -133.353
flat angles P-C4'-P energy: -90.414
tors. eta vs tors. theta energy: -131.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1793.033105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.033105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.033105 (E_RNA)
where:
Base-Base interactions energy: -1202.585
where: short stacking energy: -513.906
Base-Backbone interact. energy: -4.811
local terms energy: -585.637794
where:
bonds (distance) C4'-P energy: -123.868
bonds (distance) P-C4' energy: -115.715
flat angles C4'-P-C4' energy: -136.508
flat angles P-C4'-P energy: -70.068
tors. eta vs tors. theta energy: -139.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1567.508789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.508789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.508789 (E_RNA)
where:
Base-Base interactions energy: -1035.842
where: short stacking energy: -467.221
Base-Backbone interact. energy: -1.481
local terms energy: -530.185621
where:
bonds (distance) C4'-P energy: -111.765
bonds (distance) P-C4' energy: -120.569
flat angles C4'-P-C4' energy: -121.266
flat angles P-C4'-P energy: -66.775
tors. eta vs tors. theta energy: -109.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1264.744333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.744333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.744333 (E_RNA)
where:
Base-Base interactions energy: -804.504
where: short stacking energy: -389.155
Base-Backbone interact. energy: -3.907
local terms energy: -456.333142
where:
bonds (distance) C4'-P energy: -97.933
bonds (distance) P-C4' energy: -113.881
flat angles C4'-P-C4' energy: -101.989
flat angles P-C4'-P energy: -75.743
tors. eta vs tors. theta energy: -66.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1170.265486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.265486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.265486 (E_RNA)
where:
Base-Base interactions energy: -684.247
where: short stacking energy: -361.755
Base-Backbone interact. energy: -3.509
local terms energy: -482.509079
where:
bonds (distance) C4'-P energy: -108.039
bonds (distance) P-C4' energy: -123.968
flat angles C4'-P-C4' energy: -105.901
flat angles P-C4'-P energy: -74.268
tors. eta vs tors. theta energy: -70.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -995.655843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.655843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.655843 (E_RNA)
where:
Base-Base interactions energy: -573.053
where: short stacking energy: -339.767
Base-Backbone interact. energy: 4.133
local terms energy: -426.734958
where:
bonds (distance) C4'-P energy: -112.060
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -105.950
flat angles P-C4'-P energy: -47.899
tors. eta vs tors. theta energy: -36.963
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: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -893.290974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.290974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.290974 (E_RNA)
where:
Base-Base interactions energy: -450.866
where: short stacking energy: -267.497
Base-Backbone interact. energy: 3.670
local terms energy: -446.095411
where:
bonds (distance) C4'-P energy: -110.046
bonds (distance) P-C4' energy: -112.147
flat angles C4'-P-C4' energy: -89.966
flat angles P-C4'-P energy: -75.297
tors. eta vs tors. theta energy: -58.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -695.751870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.751870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.751870 (E_RNA)
where:
Base-Base interactions energy: -343.855
where: short stacking energy: -184.161
Base-Backbone interact. energy: -0.115
local terms energy: -351.781927
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -112.961
flat angles C4'-P-C4' energy: -90.630
flat angles P-C4'-P energy: -64.187
tors. eta vs tors. theta energy: 16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2050.729813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.729813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.729813 (E_RNA)
where:
Base-Base interactions energy: -1394.942
where: short stacking energy: -601.685
Base-Backbone interact. energy: -2.426
local terms energy: -653.361640
where:
bonds (distance) C4'-P energy: -130.955
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -147.025
flat angles P-C4'-P energy: -90.216
tors. eta vs tors. theta energy: -163.254
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: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2003.490919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.490919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.490919 (E_RNA)
where:
Base-Base interactions energy: -1346.841
where: short stacking energy: -603.892
Base-Backbone interact. energy: -3.687
local terms energy: -652.962408
where:
bonds (distance) C4'-P energy: -119.130
bonds (distance) P-C4' energy: -128.452
flat angles C4'-P-C4' energy: -134.878
flat angles P-C4'-P energy: -104.822
tors. eta vs tors. theta energy: -165.680
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: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1906.125029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.125029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.125029 (E_RNA)
where:
Base-Base interactions energy: -1298.339
where: short stacking energy: -542.267
Base-Backbone interact. energy: 4.029
local terms energy: -611.814494
where:
bonds (distance) C4'-P energy: -115.047
bonds (distance) P-C4' energy: -138.293
flat angles C4'-P-C4' energy: -138.711
flat angles P-C4'-P energy: -83.163
tors. eta vs tors. theta energy: -136.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1821.816480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.816480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.816480 (E_RNA)
where:
Base-Base interactions energy: -1227.776
where: short stacking energy: -536.866
Base-Backbone interact. energy: -3.104
local terms energy: -590.936619
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -114.467
flat angles C4'-P-C4' energy: -126.601
flat angles P-C4'-P energy: -79.783
tors. eta vs tors. theta energy: -152.817
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: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1512.492596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.492596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.492596 (E_RNA)
where:
Base-Base interactions energy: -996.396
where: short stacking energy: -427.450
Base-Backbone interact. energy: -0.691
local terms energy: -515.405706
where:
bonds (distance) C4'-P energy: -115.592
bonds (distance) P-C4' energy: -100.942
flat angles C4'-P-C4' energy: -127.840
flat angles P-C4'-P energy: -89.881
tors. eta vs tors. theta energy: -81.151
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: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1299.896369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.896369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.896369 (E_RNA)
where:
Base-Base interactions energy: -784.525
where: short stacking energy: -390.903
Base-Backbone interact. energy: -5.772
local terms energy: -509.598980
where:
bonds (distance) C4'-P energy: -95.559
bonds (distance) P-C4' energy: -125.507
flat angles C4'-P-C4' energy: -116.186
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -97.199
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: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1188.719337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.719337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.719337 (E_RNA)
where:
Base-Base interactions energy: -705.866
where: short stacking energy: -336.411
Base-Backbone interact. energy: -3.586
local terms energy: -479.267415
where:
bonds (distance) C4'-P energy: -103.935
bonds (distance) P-C4' energy: -125.156
flat angles C4'-P-C4' energy: -119.862
flat angles P-C4'-P energy: -60.910
tors. eta vs tors. theta energy: -69.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -954.975656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.975656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.975656 (E_RNA)
where:
Base-Base interactions energy: -536.372
where: short stacking energy: -321.852
Base-Backbone interact. energy: 2.758
local terms energy: -421.361989
where:
bonds (distance) C4'-P energy: -83.475
bonds (distance) P-C4' energy: -120.728
flat angles C4'-P-C4' energy: -105.473
flat angles P-C4'-P energy: -73.159
tors. eta vs tors. theta energy: -38.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -852.468388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.468388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.468388 (E_RNA)
where:
Base-Base interactions energy: -437.621
where: short stacking energy: -234.545
Base-Backbone interact. energy: -0.762
local terms energy: -414.085380
where:
bonds (distance) C4'-P energy: -111.280
bonds (distance) P-C4' energy: -137.001
flat angles C4'-P-C4' energy: -90.243
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -31.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -738.282590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.282590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.282590 (E_RNA)
where:
Base-Base interactions energy: -375.578
where: short stacking energy: -187.607
Base-Backbone interact. energy: 5.856
local terms energy: -368.560571
where:
bonds (distance) C4'-P energy: -85.704
bonds (distance) P-C4' energy: -116.521
flat angles C4'-P-C4' energy: -100.872
flat angles P-C4'-P energy: -57.243
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2057.284808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.284808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.284808 (E_RNA)
where:
Base-Base interactions energy: -1389.559
where: short stacking energy: -607.055
Base-Backbone interact. energy: -0.965
local terms energy: -666.760875
where:
bonds (distance) C4'-P energy: -136.936
bonds (distance) P-C4' energy: -127.267
flat angles C4'-P-C4' energy: -141.077
flat angles P-C4'-P energy: -94.609
tors. eta vs tors. theta energy: -166.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1985.645387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.645387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.645387 (E_RNA)
where:
Base-Base interactions energy: -1320.175
where: short stacking energy: -567.701
Base-Backbone interact. energy: -3.917
local terms energy: -661.553507
where:
bonds (distance) C4'-P energy: -131.611
bonds (distance) P-C4' energy: -118.628
flat angles C4'-P-C4' energy: -141.814
flat angles P-C4'-P energy: -103.082
tors. eta vs tors. theta energy: -166.418
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1916.843259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.843259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.843259 (E_RNA)
where:
Base-Base interactions energy: -1289.605
where: short stacking energy: -533.211
Base-Backbone interact. energy: 3.871
local terms energy: -631.109176
where:
bonds (distance) C4'-P energy: -132.168
bonds (distance) P-C4' energy: -126.236
flat angles C4'-P-C4' energy: -140.230
flat angles P-C4'-P energy: -88.164
tors. eta vs tors. theta energy: -144.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1819.296886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.296886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.296886 (E_RNA)
where:
Base-Base interactions energy: -1215.998
where: short stacking energy: -558.025
Base-Backbone interact. energy: 0.696
local terms energy: -603.994504
where:
bonds (distance) C4'-P energy: -123.835
bonds (distance) P-C4' energy: -114.431
flat angles C4'-P-C4' energy: -138.017
flat angles P-C4'-P energy: -77.919
tors. eta vs tors. theta energy: -149.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1526.867207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.867207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.867207 (E_RNA)
where:
Base-Base interactions energy: -970.827
where: short stacking energy: -452.366
Base-Backbone interact. energy: -1.627
local terms energy: -554.413173
where:
bonds (distance) C4'-P energy: -109.314
bonds (distance) P-C4' energy: -116.735
flat angles C4'-P-C4' energy: -132.706
flat angles P-C4'-P energy: -80.755
tors. eta vs tors. theta energy: -114.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1308.896988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.896988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.896988 (E_RNA)
where:
Base-Base interactions energy: -811.643
where: short stacking energy: -370.040
Base-Backbone interact. energy: 4.444
local terms energy: -501.698418
where:
bonds (distance) C4'-P energy: -115.020
bonds (distance) P-C4' energy: -136.769
flat angles C4'-P-C4' energy: -108.092
flat angles P-C4'-P energy: -75.739
tors. eta vs tors. theta energy: -66.078
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: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1170.459041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.459041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.459041 (E_RNA)
where:
Base-Base interactions energy: -718.093
where: short stacking energy: -345.204
Base-Backbone interact. energy: 1.362
local terms energy: -453.727887
where:
bonds (distance) C4'-P energy: -109.837
bonds (distance) P-C4' energy: -120.119
flat angles C4'-P-C4' energy: -96.705
flat angles P-C4'-P energy: -62.047
tors. eta vs tors. theta energy: -65.020
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: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -961.171320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.171320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.171320 (E_RNA)
where:
Base-Base interactions energy: -519.992
where: short stacking energy: -281.888
Base-Backbone interact. energy: -2.808
local terms energy: -438.371127
where:
bonds (distance) C4'-P energy: -113.010
bonds (distance) P-C4' energy: -133.539
flat angles C4'-P-C4' energy: -99.557
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -38.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -881.836381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.836381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.836381 (E_RNA)
where:
Base-Base interactions energy: -493.263
where: short stacking energy: -250.253
Base-Backbone interact. energy: 5.384
local terms energy: -393.957458
where:
bonds (distance) C4'-P energy: -107.923
bonds (distance) P-C4' energy: -114.822
flat angles C4'-P-C4' energy: -90.025
flat angles P-C4'-P energy: -63.626
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -747.524491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.524491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.524491 (E_RNA)
where:
Base-Base interactions energy: -399.955
where: short stacking energy: -210.053
Base-Backbone interact. energy: 3.712
local terms energy: -351.281283
where:
bonds (distance) C4'-P energy: -97.214
bonds (distance) P-C4' energy: -116.679
flat angles C4'-P-C4' energy: -92.227
flat angles P-C4'-P energy: -47.656
tors. eta vs tors. theta energy: 2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2055.352308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.352308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.352308 (E_RNA)
where:
Base-Base interactions energy: -1383.017
where: short stacking energy: -587.748
Base-Backbone interact. energy: -4.981
local terms energy: -667.353999
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -143.666
flat angles C4'-P-C4' energy: -135.336
flat angles P-C4'-P energy: -88.047
tors. eta vs tors. theta energy: -162.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1980.235747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.235747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.235747 (E_RNA)
where:
Base-Base interactions energy: -1326.265
where: short stacking energy: -588.201
Base-Backbone interact. energy: -3.857
local terms energy: -650.113948
where:
bonds (distance) C4'-P energy: -132.390
bonds (distance) P-C4' energy: -121.960
flat angles C4'-P-C4' energy: -138.630
flat angles P-C4'-P energy: -100.487
tors. eta vs tors. theta energy: -156.648
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: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1935.800798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.800798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.800798 (E_RNA)
where:
Base-Base interactions energy: -1297.155
where: short stacking energy: -525.558
Base-Backbone interact. energy: -4.469
local terms energy: -634.177197
where:
bonds (distance) C4'-P energy: -127.305
bonds (distance) P-C4' energy: -143.105
flat angles C4'-P-C4' energy: -132.077
flat angles P-C4'-P energy: -96.348
tors. eta vs tors. theta energy: -135.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1801.611393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.611393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.611393 (E_RNA)
where:
Base-Base interactions energy: -1189.690
where: short stacking energy: -520.492
Base-Backbone interact. energy: -3.151
local terms energy: -608.770970
where:
bonds (distance) C4'-P energy: -127.296
bonds (distance) P-C4' energy: -125.905
flat angles C4'-P-C4' energy: -137.733
flat angles P-C4'-P energy: -80.510
tors. eta vs tors. theta energy: -137.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1552.793652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.793652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.793652 (E_RNA)
where:
Base-Base interactions energy: -1002.273
where: short stacking energy: -457.065
Base-Backbone interact. energy: -3.213
local terms energy: -547.307321
where:
bonds (distance) C4'-P energy: -103.526
bonds (distance) P-C4' energy: -132.788
flat angles C4'-P-C4' energy: -130.597
flat angles P-C4'-P energy: -73.447
tors. eta vs tors. theta energy: -106.950
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1364.156833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.156833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.156833 (E_RNA)
where:
Base-Base interactions energy: -859.399
where: short stacking energy: -390.942
Base-Backbone interact. energy: 0.073
local terms energy: -504.831416
where:
bonds (distance) C4'-P energy: -113.451
bonds (distance) P-C4' energy: -130.419
flat angles C4'-P-C4' energy: -117.847
flat angles P-C4'-P energy: -57.162
tors. eta vs tors. theta energy: -85.954
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: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1295.765924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.765924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.765924 (E_RNA)
where:
Base-Base interactions energy: -791.594
where: short stacking energy: -385.528
Base-Backbone interact. energy: 5.146
local terms energy: -509.318698
where:
bonds (distance) C4'-P energy: -107.743
bonds (distance) P-C4' energy: -126.379
flat angles C4'-P-C4' energy: -106.114
flat angles P-C4'-P energy: -79.930
tors. eta vs tors. theta energy: -89.152
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: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -929.995280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.995280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.995280 (E_RNA)
where:
Base-Base interactions energy: -496.822
where: short stacking energy: -293.575
Base-Backbone interact. energy: 0.024
local terms energy: -433.197417
where:
bonds (distance) C4'-P energy: -111.535
bonds (distance) P-C4' energy: -127.034
flat angles C4'-P-C4' energy: -102.426
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -43.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -856.815474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.815474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.815474 (E_RNA)
where:
Base-Base interactions energy: -451.722
where: short stacking energy: -266.610
Base-Backbone interact. energy: 0.711
local terms energy: -405.804342
where:
bonds (distance) C4'-P energy: -103.091
bonds (distance) P-C4' energy: -118.655
flat angles C4'-P-C4' energy: -91.187
flat angles P-C4'-P energy: -62.550
tors. eta vs tors. theta energy: -30.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -743.528279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.528279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.528279 (E_RNA)
where:
Base-Base interactions energy: -399.785
where: short stacking energy: -232.159
Base-Backbone interact. energy: -1.989
local terms energy: -341.754353
where:
bonds (distance) C4'-P energy: -97.116
bonds (distance) P-C4' energy: -95.538
flat angles C4'-P-C4' energy: -106.993
flat angles P-C4'-P energy: -49.289
tors. eta vs tors. theta energy: 7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2050.364892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.364892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.364892 (E_RNA)
where:
Base-Base interactions energy: -1368.031
where: short stacking energy: -588.012
Base-Backbone interact. energy: -1.083
local terms energy: -681.251071
where:
bonds (distance) C4'-P energy: -129.352
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -154.702
flat angles P-C4'-P energy: -88.235
tors. eta vs tors. theta energy: -168.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1990.318043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.318043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.318043 (E_RNA)
where:
Base-Base interactions energy: -1353.396
where: short stacking energy: -604.898
Base-Backbone interact. energy: -1.330
local terms energy: -635.592632
where:
bonds (distance) C4'-P energy: -126.419
bonds (distance) P-C4' energy: -122.250
flat angles C4'-P-C4' energy: -139.133
flat angles P-C4'-P energy: -100.622
tors. eta vs tors. theta energy: -147.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1971.335210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.335210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.335210 (E_RNA)
where:
Base-Base interactions energy: -1337.448
where: short stacking energy: -562.586
Base-Backbone interact. energy: -0.395
local terms energy: -633.492494
where:
bonds (distance) C4'-P energy: -119.953
bonds (distance) P-C4' energy: -133.598
flat angles C4'-P-C4' energy: -140.478
flat angles P-C4'-P energy: -90.106
tors. eta vs tors. theta energy: -149.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1780.640898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.640898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.640898 (E_RNA)
where:
Base-Base interactions energy: -1156.975
where: short stacking energy: -542.306
Base-Backbone interact. energy: -3.433
local terms energy: -620.232921
where:
bonds (distance) C4'-P energy: -127.705
bonds (distance) P-C4' energy: -132.622
flat angles C4'-P-C4' energy: -125.447
flat angles P-C4'-P energy: -93.603
tors. eta vs tors. theta energy: -140.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1565.727055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.727055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.727055 (E_RNA)
where:
Base-Base interactions energy: -1007.512
where: short stacking energy: -457.700
Base-Backbone interact. energy: -0.574
local terms energy: -557.640969
where:
bonds (distance) C4'-P energy: -101.343
bonds (distance) P-C4' energy: -126.113
flat angles C4'-P-C4' energy: -135.675
flat angles P-C4'-P energy: -78.682
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: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1378.778006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.778006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.778006 (E_RNA)
where:
Base-Base interactions energy: -870.585
where: short stacking energy: -412.107
Base-Backbone interact. energy: -1.997
local terms energy: -506.196364
where:
bonds (distance) C4'-P energy: -94.253
bonds (distance) P-C4' energy: -127.423
flat angles C4'-P-C4' energy: -119.043
flat angles P-C4'-P energy: -84.842
tors. eta vs tors. theta energy: -80.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1304.276599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.276599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.276599 (E_RNA)
where:
Base-Base interactions energy: -826.614
where: short stacking energy: -439.092
Base-Backbone interact. energy: 1.087
local terms energy: -478.749803
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -110.552
flat angles C4'-P-C4' energy: -119.312
flat angles P-C4'-P energy: -64.538
tors. eta vs tors. theta energy: -92.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -900.814866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.814866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.814866 (E_RNA)
where:
Base-Base interactions energy: -479.703
where: short stacking energy: -259.672
Base-Backbone interact. energy: -2.409
local terms energy: -418.702373
where:
bonds (distance) C4'-P energy: -109.296
bonds (distance) P-C4' energy: -130.940
flat angles C4'-P-C4' energy: -96.987
flat angles P-C4'-P energy: -71.115
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -903.251719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.251719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.251719 (E_RNA)
where:
Base-Base interactions energy: -540.719
where: short stacking energy: -263.231
Base-Backbone interact. energy: 1.393
local terms energy: -363.925594
where:
bonds (distance) C4'-P energy: -100.986
bonds (distance) P-C4' energy: -103.072
flat angles C4'-P-C4' energy: -84.004
flat angles P-C4'-P energy: -59.283
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -764.936187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.936187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.936187 (E_RNA)
where:
Base-Base interactions energy: -403.226
where: short stacking energy: -224.249
Base-Backbone interact. energy: -2.343
local terms energy: -359.367962
where:
bonds (distance) C4'-P energy: -96.557
bonds (distance) P-C4' energy: -97.242
flat angles C4'-P-C4' energy: -108.452
flat angles P-C4'-P energy: -43.509
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: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2073.353516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.353516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.353516 (E_RNA)
where:
Base-Base interactions energy: -1417.514
where: short stacking energy: -606.566
Base-Backbone interact. energy: -4.399
local terms energy: -651.440005
where:
bonds (distance) C4'-P energy: -123.015
bonds (distance) P-C4' energy: -142.130
flat angles C4'-P-C4' energy: -134.135
flat angles P-C4'-P energy: -92.396
tors. eta vs tors. theta energy: -159.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2016.177693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.177693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.177693 (E_RNA)
where:
Base-Base interactions energy: -1371.602
where: short stacking energy: -580.600
Base-Backbone interact. energy: -3.237
local terms energy: -641.337962
where:
bonds (distance) C4'-P energy: -126.041
bonds (distance) P-C4' energy: -122.672
flat angles C4'-P-C4' energy: -154.559
flat angles P-C4'-P energy: -84.004
tors. eta vs tors. theta energy: -154.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1925.410868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.410868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.410868 (E_RNA)
where:
Base-Base interactions energy: -1295.595
where: short stacking energy: -554.322
Base-Backbone interact. energy: 0.497
local terms energy: -630.312660
where:
bonds (distance) C4'-P energy: -130.933
bonds (distance) P-C4' energy: -124.908
flat angles C4'-P-C4' energy: -142.088
flat angles P-C4'-P energy: -95.734
tors. eta vs tors. theta energy: -136.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1796.842636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.842636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.842636 (E_RNA)
where:
Base-Base interactions energy: -1198.905
where: short stacking energy: -531.413
Base-Backbone interact. energy: -0.401
local terms energy: -597.536766
where:
bonds (distance) C4'-P energy: -118.464
bonds (distance) P-C4' energy: -129.967
flat angles C4'-P-C4' energy: -133.414
flat angles P-C4'-P energy: -73.616
tors. eta vs tors. theta energy: -142.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1603.602164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.602164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.602164 (E_RNA)
where:
Base-Base interactions energy: -1059.464
where: short stacking energy: -484.068
Base-Backbone interact. energy: -3.859
local terms energy: -540.279308
where:
bonds (distance) C4'-P energy: -108.962
bonds (distance) P-C4' energy: -120.483
flat angles C4'-P-C4' energy: -112.938
flat angles P-C4'-P energy: -92.623
tors. eta vs tors. theta energy: -105.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1344.391120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.391120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.391120 (E_RNA)
where:
Base-Base interactions energy: -821.706
where: short stacking energy: -362.631
Base-Backbone interact. energy: -1.469
local terms energy: -521.216291
where:
bonds (distance) C4'-P energy: -118.565
bonds (distance) P-C4' energy: -129.717
flat angles C4'-P-C4' energy: -124.601
flat angles P-C4'-P energy: -80.704
tors. eta vs tors. theta energy: -67.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1307.250316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.250316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.250316 (E_RNA)
where:
Base-Base interactions energy: -823.343
where: short stacking energy: -408.905
Base-Backbone interact. energy: 4.181
local terms energy: -488.088351
where:
bonds (distance) C4'-P energy: -92.996
bonds (distance) P-C4' energy: -112.416
flat angles C4'-P-C4' energy: -112.299
flat angles P-C4'-P energy: -84.753
tors. eta vs tors. theta energy: -85.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -940.881718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.881718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.881718 (E_RNA)
where:
Base-Base interactions energy: -539.886
where: short stacking energy: -270.531
Base-Backbone interact. energy: 2.693
local terms energy: -403.689053
where:
bonds (distance) C4'-P energy: -99.651
bonds (distance) P-C4' energy: -114.473
flat angles C4'-P-C4' energy: -88.782
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: -36.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -876.014056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.014056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.014056 (E_RNA)
where:
Base-Base interactions energy: -505.428
where: short stacking energy: -256.918
Base-Backbone interact. energy: -0.403
local terms energy: -370.183343
where:
bonds (distance) C4'-P energy: -104.632
bonds (distance) P-C4' energy: -114.653
flat angles C4'-P-C4' energy: -81.572
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -748.773991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.773991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.773991 (E_RNA)
where:
Base-Base interactions energy: -373.532
where: short stacking energy: -219.078
Base-Backbone interact. energy: 3.847
local terms energy: -379.089043
where:
bonds (distance) C4'-P energy: -115.181
bonds (distance) P-C4' energy: -124.297
flat angles C4'-P-C4' energy: -84.693
flat angles P-C4'-P energy: -48.957
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2082.587033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.587033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.587033 (E_RNA)
where:
Base-Base interactions energy: -1395.982
where: short stacking energy: -606.795
Base-Backbone interact. energy: -4.636
local terms energy: -681.968982
where:
bonds (distance) C4'-P energy: -129.707
bonds (distance) P-C4' energy: -142.055
flat angles C4'-P-C4' energy: -148.426
flat angles P-C4'-P energy: -100.789
tors. eta vs tors. theta energy: -160.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1998.941112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.941112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.941112 (E_RNA)
where:
Base-Base interactions energy: -1366.345
where: short stacking energy: -613.271
Base-Backbone interact. energy: -3.609
local terms energy: -628.986622
where:
bonds (distance) C4'-P energy: -116.376
bonds (distance) P-C4' energy: -121.362
flat angles C4'-P-C4' energy: -130.869
flat angles P-C4'-P energy: -96.424
tors. eta vs tors. theta energy: -163.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1872.605605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.605605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.605605 (E_RNA)
where:
Base-Base interactions energy: -1267.065
where: short stacking energy: -551.794
Base-Backbone interact. energy: -3.618
local terms energy: -601.922164
where:
bonds (distance) C4'-P energy: -117.548
bonds (distance) P-C4' energy: -115.645
flat angles C4'-P-C4' energy: -132.820
flat angles P-C4'-P energy: -81.587
tors. eta vs tors. theta energy: -154.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1802.214560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.214560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.214560 (E_RNA)
where:
Base-Base interactions energy: -1201.169
where: short stacking energy: -507.582
Base-Backbone interact. energy: -4.434
local terms energy: -596.612169
where:
bonds (distance) C4'-P energy: -124.373
bonds (distance) P-C4' energy: -120.739
flat angles C4'-P-C4' energy: -135.045
flat angles P-C4'-P energy: -79.758
tors. eta vs tors. theta energy: -136.696
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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1635.460007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.460007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.460007 (E_RNA)
where:
Base-Base interactions energy: -1060.042
where: short stacking energy: -454.559
Base-Backbone interact. energy: -4.119
local terms energy: -571.299284
where:
bonds (distance) C4'-P energy: -116.200
bonds (distance) P-C4' energy: -130.403
flat angles C4'-P-C4' energy: -136.036
flat angles P-C4'-P energy: -80.017
tors. eta vs tors. theta energy: -108.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1424.068856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.068856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.068856 (E_RNA)
where:
Base-Base interactions energy: -924.436
where: short stacking energy: -423.137
Base-Backbone interact. energy: -1.027
local terms energy: -498.605282
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -109.576
flat angles C4'-P-C4' energy: -110.972
flat angles P-C4'-P energy: -75.177
tors. eta vs tors. theta energy: -95.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1229.631941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.631941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.631941 (E_RNA)
where:
Base-Base interactions energy: -755.482
where: short stacking energy: -351.711
Base-Backbone interact. energy: -2.683
local terms energy: -471.467007
where:
bonds (distance) C4'-P energy: -112.837
bonds (distance) P-C4' energy: -100.176
flat angles C4'-P-C4' energy: -121.660
flat angles P-C4'-P energy: -71.927
tors. eta vs tors. theta energy: -64.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -937.900713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.900713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.900713 (E_RNA)
where:
Base-Base interactions energy: -495.804
where: short stacking energy: -270.270
Base-Backbone interact. energy: -2.979
local terms energy: -439.117723
where:
bonds (distance) C4'-P energy: -106.176
bonds (distance) P-C4' energy: -109.129
flat angles C4'-P-C4' energy: -116.426
flat angles P-C4'-P energy: -70.295
tors. eta vs tors. theta energy: -37.092
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: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -865.184009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.184009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.184009 (E_RNA)
where:
Base-Base interactions energy: -448.238
where: short stacking energy: -245.183
Base-Backbone interact. energy: 0.179
local terms energy: -417.125277
where:
bonds (distance) C4'-P energy: -107.817
bonds (distance) P-C4' energy: -124.496
flat angles C4'-P-C4' energy: -100.383
flat angles P-C4'-P energy: -67.708
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -775.580501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.580501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.580501 (E_RNA)
where:
Base-Base interactions energy: -424.069
where: short stacking energy: -208.406
Base-Backbone interact. energy: 9.751
local terms energy: -361.261979
where:
bonds (distance) C4'-P energy: -101.802
bonds (distance) P-C4' energy: -121.060
flat angles C4'-P-C4' energy: -92.718
flat angles P-C4'-P energy: -47.936
tors. eta vs tors. theta energy: 2.255
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: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2096.326708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.326708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.326708 (E_RNA)
where:
Base-Base interactions energy: -1443.677
where: short stacking energy: -613.446
Base-Backbone interact. energy: -2.028
local terms energy: -650.621243
where:
bonds (distance) C4'-P energy: -122.061
bonds (distance) P-C4' energy: -131.135
flat angles C4'-P-C4' energy: -146.132
flat angles P-C4'-P energy: -90.412
tors. eta vs tors. theta energy: -160.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2002.642324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.642324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.642324 (E_RNA)
where:
Base-Base interactions energy: -1342.710
where: short stacking energy: -573.368
Base-Backbone interact. energy: -0.817
local terms energy: -659.115381
where:
bonds (distance) C4'-P energy: -139.038
bonds (distance) P-C4' energy: -131.322
flat angles C4'-P-C4' energy: -140.355
flat angles P-C4'-P energy: -98.082
tors. eta vs tors. theta energy: -150.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1837.073524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.073524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.073524 (E_RNA)
where:
Base-Base interactions energy: -1198.254
where: short stacking energy: -514.639
Base-Backbone interact. energy: 6.317
local terms energy: -645.136774
where:
bonds (distance) C4'-P energy: -130.719
bonds (distance) P-C4' energy: -136.673
flat angles C4'-P-C4' energy: -144.077
flat angles P-C4'-P energy: -91.268
tors. eta vs tors. theta energy: -142.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1798.448997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.448997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.448997 (E_RNA)
where:
Base-Base interactions energy: -1194.660
where: short stacking energy: -532.212
Base-Backbone interact. energy: -2.187
local terms energy: -601.601176
where:
bonds (distance) C4'-P energy: -118.764
bonds (distance) P-C4' energy: -131.560
flat angles C4'-P-C4' energy: -141.413
flat angles P-C4'-P energy: -77.585
tors. eta vs tors. theta energy: -132.279
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: 48
Temperature: 1.100000
Total energy: -1645.957572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.957572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.957572 (E_RNA)
where:
Base-Base interactions energy: -1106.896
where: short stacking energy: -465.634
Base-Backbone interact. energy: -4.260
local terms energy: -534.801265
where:
bonds (distance) C4'-P energy: -102.876
bonds (distance) P-C4' energy: -113.742
flat angles C4'-P-C4' energy: -129.772
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -117.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1416.595821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.595821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.595821 (E_RNA)
where:
Base-Base interactions energy: -880.645
where: short stacking energy: -434.020
Base-Backbone interact. energy: -1.798
local terms energy: -534.152660
where:
bonds (distance) C4'-P energy: -113.081
bonds (distance) P-C4' energy: -115.208
flat angles C4'-P-C4' energy: -135.530
flat angles P-C4'-P energy: -80.567
tors. eta vs tors. theta energy: -89.767
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1326.854086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.854086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.854086 (E_RNA)
where:
Base-Base interactions energy: -858.480
where: short stacking energy: -399.874
Base-Backbone interact. energy: -1.015
local terms energy: -467.359314
where:
bonds (distance) C4'-P energy: -109.298
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -103.921
flat angles P-C4'-P energy: -60.056
tors. eta vs tors. theta energy: -80.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -918.238444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.238444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.238444 (E_RNA)
where:
Base-Base interactions energy: -504.164
where: short stacking energy: -280.403
Base-Backbone interact. energy: 0.138
local terms energy: -414.212112
where:
bonds (distance) C4'-P energy: -101.770
bonds (distance) P-C4' energy: -122.031
flat angles C4'-P-C4' energy: -118.733
flat angles P-C4'-P energy: -40.743
tors. eta vs tors. theta energy: -30.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -801.150973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.150973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.150973 (E_RNA)
where:
Base-Base interactions energy: -429.722
where: short stacking energy: -253.852
Base-Backbone interact. energy: -3.687
local terms energy: -367.741984
where:
bonds (distance) C4'-P energy: -99.257
bonds (distance) P-C4' energy: -112.192
flat angles C4'-P-C4' energy: -100.356
flat angles P-C4'-P energy: -57.068
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: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -813.483528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.483528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.483528 (E_RNA)
where:
Base-Base interactions energy: -439.802
where: short stacking energy: -250.838
Base-Backbone interact. energy: -1.379
local terms energy: -372.302761
where:
bonds (distance) C4'-P energy: -107.862
bonds (distance) P-C4' energy: -110.133
flat angles C4'-P-C4' energy: -76.422
flat angles P-C4'-P energy: -56.398
tors. eta vs tors. theta energy: -21.488
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: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2072.073832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.073832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.073832 (E_RNA)
where:
Base-Base interactions energy: -1395.879
where: short stacking energy: -624.856
Base-Backbone interact. energy: -2.361
local terms energy: -673.834017
where:
bonds (distance) C4'-P energy: -125.562
bonds (distance) P-C4' energy: -143.217
flat angles C4'-P-C4' energy: -151.845
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -162.953
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: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2032.049252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.049252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.049252 (E_RNA)
where:
Base-Base interactions energy: -1350.350
where: short stacking energy: -596.934
Base-Backbone interact. energy: -1.180
local terms energy: -680.519220
where:
bonds (distance) C4'-P energy: -123.857
bonds (distance) P-C4' energy: -135.772
flat angles C4'-P-C4' energy: -147.173
flat angles P-C4'-P energy: -105.924
tors. eta vs tors. theta energy: -167.794
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1867.103274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.103274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.103274 (E_RNA)
where:
Base-Base interactions energy: -1231.827
where: short stacking energy: -539.742
Base-Backbone interact. energy: 1.746
local terms energy: -637.022737
where:
bonds (distance) C4'-P energy: -125.005
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -139.772
flat angles P-C4'-P energy: -97.299
tors. eta vs tors. theta energy: -138.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1827.121176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.121176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.121176 (E_RNA)
where:
Base-Base interactions energy: -1214.584
where: short stacking energy: -559.248
Base-Backbone interact. energy: -1.707
local terms energy: -610.829448
where:
bonds (distance) C4'-P energy: -125.349
bonds (distance) P-C4' energy: -125.015
flat angles C4'-P-C4' energy: -125.491
flat angles P-C4'-P energy: -82.741
tors. eta vs tors. theta energy: -152.234
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: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1648.738547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.738547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.738547 (E_RNA)
where:
Base-Base interactions energy: -1110.495
where: short stacking energy: -482.934
Base-Backbone interact. energy: -1.619
local terms energy: -536.624861
where:
bonds (distance) C4'-P energy: -114.822
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -71.610
tors. eta vs tors. theta energy: -119.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1373.432551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.432551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.432551 (E_RNA)
where:
Base-Base interactions energy: -852.800
where: short stacking energy: -402.589
Base-Backbone interact. energy: -2.565
local terms energy: -518.068083
where:
bonds (distance) C4'-P energy: -120.946
bonds (distance) P-C4' energy: -110.279
flat angles C4'-P-C4' energy: -127.931
flat angles P-C4'-P energy: -71.070
tors. eta vs tors. theta energy: -87.841
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1370.512860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.512860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.512860 (E_RNA)
where:
Base-Base interactions energy: -923.278
where: short stacking energy: -412.331
Base-Backbone interact. energy: 1.339
local terms energy: -448.574478
where:
bonds (distance) C4'-P energy: -115.949
bonds (distance) P-C4' energy: -87.107
flat angles C4'-P-C4' energy: -113.961
flat angles P-C4'-P energy: -51.947
tors. eta vs tors. theta energy: -79.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -925.161401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.161401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.161401 (E_RNA)
where:
Base-Base interactions energy: -507.209
where: short stacking energy: -251.022
Base-Backbone interact. energy: 3.290
local terms energy: -421.242097
where:
bonds (distance) C4'-P energy: -108.236
bonds (distance) P-C4' energy: -112.799
flat angles C4'-P-C4' energy: -97.269
flat angles P-C4'-P energy: -64.669
tors. eta vs tors. theta energy: -38.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -837.462303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.462303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.462303 (E_RNA)
where:
Base-Base interactions energy: -427.785
where: short stacking energy: -244.905
Base-Backbone interact. energy: -2.367
local terms energy: -407.310666
where:
bonds (distance) C4'-P energy: -107.431
bonds (distance) P-C4' energy: -125.399
flat angles C4'-P-C4' energy: -95.715
flat angles P-C4'-P energy: -62.235
tors. eta vs tors. theta energy: -16.531
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: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -842.065305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.065305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.065305 (E_RNA)
where:
Base-Base interactions energy: -466.986
where: short stacking energy: -248.994
Base-Backbone interact. energy: 2.743
local terms energy: -377.822052
where:
bonds (distance) C4'-P energy: -83.770
bonds (distance) P-C4' energy: -112.800
flat angles C4'-P-C4' energy: -100.065
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -31.698
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: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2073.372213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.372213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.372213 (E_RNA)
where:
Base-Base interactions energy: -1385.170
where: short stacking energy: -608.932
Base-Backbone interact. energy: -4.373
local terms energy: -683.828637
where:
bonds (distance) C4'-P energy: -139.177
bonds (distance) P-C4' energy: -137.148
flat angles C4'-P-C4' energy: -146.376
flat angles P-C4'-P energy: -94.399
tors. eta vs tors. theta energy: -166.729
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: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2004.079159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.079159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.079159 (E_RNA)
where:
Base-Base interactions energy: -1360.438
where: short stacking energy: -583.357
Base-Backbone interact. energy: -3.683
local terms energy: -639.957528
where:
bonds (distance) C4'-P energy: -130.369
bonds (distance) P-C4' energy: -120.828
flat angles C4'-P-C4' energy: -142.327
flat angles P-C4'-P energy: -86.641
tors. eta vs tors. theta energy: -159.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1856.793171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.793171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.793171 (E_RNA)
where:
Base-Base interactions energy: -1234.979
where: short stacking energy: -509.572
Base-Backbone interact. energy: 0.507
local terms energy: -622.321687
where:
bonds (distance) C4'-P energy: -132.430
bonds (distance) P-C4' energy: -125.654
flat angles C4'-P-C4' energy: -131.381
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -144.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1844.240219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.240219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.240219 (E_RNA)
where:
Base-Base interactions energy: -1216.147
where: short stacking energy: -543.278
Base-Backbone interact. energy: -3.262
local terms energy: -624.831700
where:
bonds (distance) C4'-P energy: -125.043
bonds (distance) P-C4' energy: -118.574
flat angles C4'-P-C4' energy: -142.745
flat angles P-C4'-P energy: -98.969
tors. eta vs tors. theta energy: -139.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1693.611883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.611883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.611883 (E_RNA)
where:
Base-Base interactions energy: -1133.062
where: short stacking energy: -494.361
Base-Backbone interact. energy: -2.076
local terms energy: -558.473290
where:
bonds (distance) C4'-P energy: -130.529
bonds (distance) P-C4' energy: -116.091
flat angles C4'-P-C4' energy: -116.510
flat angles P-C4'-P energy: -72.191
tors. eta vs tors. theta energy: -123.152
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: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1343.094635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.094635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.094635 (E_RNA)
where:
Base-Base interactions energy: -857.485
where: short stacking energy: -415.391
Base-Backbone interact. energy: 1.082
local terms energy: -486.690969
where:
bonds (distance) C4'-P energy: -115.826
bonds (distance) P-C4' energy: -113.936
flat angles C4'-P-C4' energy: -120.240
flat angles P-C4'-P energy: -43.640
tors. eta vs tors. theta energy: -93.049
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: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1316.914276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.914276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.914276 (E_RNA)
where:
Base-Base interactions energy: -812.635
where: short stacking energy: -383.075
Base-Backbone interact. energy: 0.570
local terms energy: -504.849532
where:
bonds (distance) C4'-P energy: -113.102
bonds (distance) P-C4' energy: -144.735
flat angles C4'-P-C4' energy: -110.732
flat angles P-C4'-P energy: -69.474
tors. eta vs tors. theta energy: -66.806
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: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -960.304870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.304870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.304870 (E_RNA)
where:
Base-Base interactions energy: -526.178
where: short stacking energy: -284.030
Base-Backbone interact. energy: 0.901
local terms energy: -435.027601
where:
bonds (distance) C4'-P energy: -105.733
bonds (distance) P-C4' energy: -119.269
flat angles C4'-P-C4' energy: -102.689
flat angles P-C4'-P energy: -60.329
tors. eta vs tors. theta energy: -47.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -889.315442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.315442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.315442 (E_RNA)
where:
Base-Base interactions energy: -472.021
where: short stacking energy: -254.922
Base-Backbone interact. energy: -2.188
local terms energy: -415.106812
where:
bonds (distance) C4'-P energy: -109.425
bonds (distance) P-C4' energy: -115.789
flat angles C4'-P-C4' energy: -108.104
flat angles P-C4'-P energy: -55.049
tors. eta vs tors. theta energy: -26.740
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: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -758.597342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.597342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.597342 (E_RNA)
where:
Base-Base interactions energy: -390.738
where: short stacking energy: -200.525
Base-Backbone interact. energy: 3.230
local terms energy: -371.089235
where:
bonds (distance) C4'-P energy: -112.637
bonds (distance) P-C4' energy: -89.836
flat angles C4'-P-C4' energy: -123.368
flat angles P-C4'-P energy: -41.671
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2069.401254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.401254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.401254 (E_RNA)
where:
Base-Base interactions energy: -1384.269
where: short stacking energy: -627.118
Base-Backbone interact. energy: 0.000
local terms energy: -685.132551
where:
bonds (distance) C4'-P energy: -129.344
bonds (distance) P-C4' energy: -132.905
flat angles C4'-P-C4' energy: -158.936
flat angles P-C4'-P energy: -90.057
tors. eta vs tors. theta energy: -173.891
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2089.983577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.983577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.983577 (E_RNA)
where:
Base-Base interactions energy: -1404.836
where: short stacking energy: -607.316
Base-Backbone interact. energy: -5.166
local terms energy: -679.981825
where:
bonds (distance) C4'-P energy: -126.320
bonds (distance) P-C4' energy: -131.985
flat angles C4'-P-C4' energy: -148.217
flat angles P-C4'-P energy: -90.687
tors. eta vs tors. theta energy: -182.773
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: 51
Temperature: 1.000000
Total energy: -1877.201964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.201964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.201964 (E_RNA)
where:
Base-Base interactions energy: -1271.737
where: short stacking energy: -521.523
Base-Backbone interact. energy: -2.238
local terms energy: -603.226117
where:
bonds (distance) C4'-P energy: -107.153
bonds (distance) P-C4' energy: -116.352
flat angles C4'-P-C4' energy: -142.262
flat angles P-C4'-P energy: -89.336
tors. eta vs tors. theta energy: -148.123
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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1790.306091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.306091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.306091 (E_RNA)
where:
Base-Base interactions energy: -1192.375
where: short stacking energy: -530.829
Base-Backbone interact. energy: 3.230
local terms energy: -601.160524
where:
bonds (distance) C4'-P energy: -117.034
bonds (distance) P-C4' energy: -135.672
flat angles C4'-P-C4' energy: -126.228
flat angles P-C4'-P energy: -84.074
tors. eta vs tors. theta energy: -138.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1683.555569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.555569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.555569 (E_RNA)
where:
Base-Base interactions energy: -1100.964
where: short stacking energy: -480.896
Base-Backbone interact. energy: -1.204
local terms energy: -581.387498
where:
bonds (distance) C4'-P energy: -121.776
bonds (distance) P-C4' energy: -133.711
flat angles C4'-P-C4' energy: -137.785
flat angles P-C4'-P energy: -73.946
tors. eta vs tors. theta energy: -114.169
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: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1339.795179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.795179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.795179 (E_RNA)
where:
Base-Base interactions energy: -864.545
where: short stacking energy: -393.761
Base-Backbone interact. energy: -2.853
local terms energy: -472.397579
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -106.902
flat angles C4'-P-C4' energy: -117.451
flat angles P-C4'-P energy: -68.124
tors. eta vs tors. theta energy: -72.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1324.379254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.379254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.379254 (E_RNA)
where:
Base-Base interactions energy: -817.171
where: short stacking energy: -390.897
Base-Backbone interact. energy: -1.945
local terms energy: -505.263985
where:
bonds (distance) C4'-P energy: -107.314
bonds (distance) P-C4' energy: -114.873
flat angles C4'-P-C4' energy: -119.824
flat angles P-C4'-P energy: -80.809
tors. eta vs tors. theta energy: -82.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -958.515142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.515142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.515142 (E_RNA)
where:
Base-Base interactions energy: -545.714
where: short stacking energy: -267.037
Base-Backbone interact. energy: 0.754
local terms energy: -413.555433
where:
bonds (distance) C4'-P energy: -99.548
bonds (distance) P-C4' energy: -111.561
flat angles C4'-P-C4' energy: -118.696
flat angles P-C4'-P energy: -69.780
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -890.462923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.462923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.462923 (E_RNA)
where:
Base-Base interactions energy: -495.176
where: short stacking energy: -258.286
Base-Backbone interact. energy: -2.113
local terms energy: -393.173284
where:
bonds (distance) C4'-P energy: -121.971
bonds (distance) P-C4' energy: -95.346
flat angles C4'-P-C4' energy: -100.719
flat angles P-C4'-P energy: -68.147
tors. eta vs tors. theta energy: -6.990
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: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -727.925246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.925246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.925246 (E_RNA)
where:
Base-Base interactions energy: -355.685
where: short stacking energy: -211.605
Base-Backbone interact. energy: -0.032
local terms energy: -372.208012
where:
bonds (distance) C4'-P energy: -118.194
bonds (distance) P-C4' energy: -98.125
flat angles C4'-P-C4' energy: -100.175
flat angles P-C4'-P energy: -50.608
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2070.936423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.936423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.936423 (E_RNA)
where:
Base-Base interactions energy: -1381.290
where: short stacking energy: -614.757
Base-Backbone interact. energy: -5.409
local terms energy: -684.237533
where:
bonds (distance) C4'-P energy: -133.233
bonds (distance) P-C4' energy: -145.312
flat angles C4'-P-C4' energy: -151.664
flat angles P-C4'-P energy: -87.724
tors. eta vs tors. theta energy: -166.305
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: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2039.259364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.259364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.259364 (E_RNA)
where:
Base-Base interactions energy: -1370.922
where: short stacking energy: -593.280
Base-Backbone interact. energy: -1.210
local terms energy: -667.127440
where:
bonds (distance) C4'-P energy: -130.863
bonds (distance) P-C4' energy: -128.778
flat angles C4'-P-C4' energy: -141.297
flat angles P-C4'-P energy: -90.518
tors. eta vs tors. theta energy: -175.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1818.347642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.347642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.347642 (E_RNA)
where:
Base-Base interactions energy: -1221.933
where: short stacking energy: -522.550
Base-Backbone interact. energy: 1.294
local terms energy: -597.708713
where:
bonds (distance) C4'-P energy: -108.301
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -138.218
flat angles P-C4'-P energy: -80.191
tors. eta vs tors. theta energy: -139.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1794.070687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.070687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.070687 (E_RNA)
where:
Base-Base interactions energy: -1192.413
where: short stacking energy: -513.522
Base-Backbone interact. energy: -4.150
local terms energy: -597.507493
where:
bonds (distance) C4'-P energy: -125.843
bonds (distance) P-C4' energy: -126.409
flat angles C4'-P-C4' energy: -128.672
flat angles P-C4'-P energy: -77.127
tors. eta vs tors. theta energy: -139.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1735.474338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.474338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.474338 (E_RNA)
where:
Base-Base interactions energy: -1174.084
where: short stacking energy: -512.016
Base-Backbone interact. energy: 0.543
local terms energy: -561.933641
where:
bonds (distance) C4'-P energy: -102.823
bonds (distance) P-C4' energy: -120.741
flat angles C4'-P-C4' energy: -136.118
flat angles P-C4'-P energy: -74.180
tors. eta vs tors. theta energy: -128.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1344.406163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.406163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.406163 (E_RNA)
where:
Base-Base interactions energy: -860.789
where: short stacking energy: -397.073
Base-Backbone interact. energy: -1.962
local terms energy: -481.654704
where:
bonds (distance) C4'-P energy: -117.304
bonds (distance) P-C4' energy: -117.784
flat angles C4'-P-C4' energy: -102.068
flat angles P-C4'-P energy: -70.896
tors. eta vs tors. theta energy: -73.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1295.327193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.327193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.327193 (E_RNA)
where:
Base-Base interactions energy: -781.722
where: short stacking energy: -411.584
Base-Backbone interact. energy: -2.932
local terms energy: -510.674091
where:
bonds (distance) C4'-P energy: -100.891
bonds (distance) P-C4' energy: -128.256
flat angles C4'-P-C4' energy: -116.611
flat angles P-C4'-P energy: -83.792
tors. eta vs tors. theta energy: -81.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -954.060093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.060093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.060093 (E_RNA)
where:
Base-Base interactions energy: -524.724
where: short stacking energy: -268.256
Base-Backbone interact. energy: -2.279
local terms energy: -427.057320
where:
bonds (distance) C4'-P energy: -101.665
bonds (distance) P-C4' energy: -126.551
flat angles C4'-P-C4' energy: -103.572
flat angles P-C4'-P energy: -64.613
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -780.894026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.894026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.894026 (E_RNA)
where:
Base-Base interactions energy: -395.552
where: short stacking energy: -226.473
Base-Backbone interact. energy: -4.402
local terms energy: -380.940562
where:
bonds (distance) C4'-P energy: -118.800
bonds (distance) P-C4' energy: -102.493
flat angles C4'-P-C4' energy: -110.241
flat angles P-C4'-P energy: -49.614
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -765.839191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.839191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.839191 (E_RNA)
where:
Base-Base interactions energy: -383.028
where: short stacking energy: -235.075
Base-Backbone interact. energy: 3.240
local terms energy: -386.051441
where:
bonds (distance) C4'-P energy: -110.269
bonds (distance) P-C4' energy: -108.963
flat angles C4'-P-C4' energy: -95.254
flat angles P-C4'-P energy: -51.220
tors. eta vs tors. theta energy: -20.345
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: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2086.783891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.783891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.783891 (E_RNA)
where:
Base-Base interactions energy: -1415.212
where: short stacking energy: -621.095
Base-Backbone interact. energy: -3.893
local terms energy: -667.679172
where:
bonds (distance) C4'-P energy: -138.659
bonds (distance) P-C4' energy: -131.656
flat angles C4'-P-C4' energy: -139.230
flat angles P-C4'-P energy: -90.176
tors. eta vs tors. theta energy: -167.957
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: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2037.169257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.169257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.169257 (E_RNA)
where:
Base-Base interactions energy: -1358.166
where: short stacking energy: -587.739
Base-Backbone interact. energy: -6.559
local terms energy: -672.444407
where:
bonds (distance) C4'-P energy: -124.352
bonds (distance) P-C4' energy: -135.099
flat angles C4'-P-C4' energy: -147.610
flat angles P-C4'-P energy: -97.614
tors. eta vs tors. theta energy: -167.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1832.455965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.455965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.455965 (E_RNA)
where:
Base-Base interactions energy: -1202.445
where: short stacking energy: -515.401
Base-Backbone interact. energy: 1.861
local terms energy: -631.872357
where:
bonds (distance) C4'-P energy: -138.933
bonds (distance) P-C4' energy: -128.584
flat angles C4'-P-C4' energy: -134.395
flat angles P-C4'-P energy: -93.306
tors. eta vs tors. theta energy: -136.654
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: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1768.453268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.453268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.453268 (E_RNA)
where:
Base-Base interactions energy: -1187.553
where: short stacking energy: -534.744
Base-Backbone interact. energy: -4.063
local terms energy: -576.837685
where:
bonds (distance) C4'-P energy: -108.705
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -131.990
flat angles P-C4'-P energy: -86.144
tors. eta vs tors. theta energy: -130.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1731.927945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.927945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.927945 (E_RNA)
where:
Base-Base interactions energy: -1119.670
where: short stacking energy: -484.558
Base-Backbone interact. energy: -4.135
local terms energy: -608.122894
where:
bonds (distance) C4'-P energy: -123.822
bonds (distance) P-C4' energy: -133.428
flat angles C4'-P-C4' energy: -129.609
flat angles P-C4'-P energy: -80.421
tors. eta vs tors. theta energy: -140.842
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: 53
Temperature: 1.150000
Total energy: -1328.620833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.620833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.620833 (E_RNA)
where:
Base-Base interactions energy: -841.293
where: short stacking energy: -392.114
Base-Backbone interact. energy: 3.253
local terms energy: -490.580897
where:
bonds (distance) C4'-P energy: -106.977
bonds (distance) P-C4' energy: -108.795
flat angles C4'-P-C4' energy: -129.689
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -79.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1286.354332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.354332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.354332 (E_RNA)
where:
Base-Base interactions energy: -775.145
where: short stacking energy: -393.831
Base-Backbone interact. energy: 1.129
local terms energy: -512.338052
where:
bonds (distance) C4'-P energy: -108.934
bonds (distance) P-C4' energy: -130.028
flat angles C4'-P-C4' energy: -119.670
flat angles P-C4'-P energy: -64.983
tors. eta vs tors. theta energy: -88.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -916.336073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.336073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.336073 (E_RNA)
where:
Base-Base interactions energy: -495.360
where: short stacking energy: -264.553
Base-Backbone interact. energy: 1.785
local terms energy: -422.761688
where:
bonds (distance) C4'-P energy: -107.882
bonds (distance) P-C4' energy: -111.532
flat angles C4'-P-C4' energy: -95.558
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -29.243
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -745.516431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.516431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.516431 (E_RNA)
where:
Base-Base interactions energy: -389.337
where: short stacking energy: -221.838
Base-Backbone interact. energy: 0.317
local terms energy: -356.496511
where:
bonds (distance) C4'-P energy: -90.171
bonds (distance) P-C4' energy: -98.385
flat angles C4'-P-C4' energy: -108.901
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -903.961494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.961494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.961494 (E_RNA)
where:
Base-Base interactions energy: -536.236
where: short stacking energy: -262.181
Base-Backbone interact. energy: 3.338
local terms energy: -371.063128
where:
bonds (distance) C4'-P energy: -76.304
bonds (distance) P-C4' energy: -103.836
flat angles C4'-P-C4' energy: -98.970
flat angles P-C4'-P energy: -69.240
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2106.986686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.986686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.986686 (E_RNA)
where:
Base-Base interactions energy: -1434.033
where: short stacking energy: -621.002
Base-Backbone interact. energy: 6.236
local terms energy: -679.189546
where:
bonds (distance) C4'-P energy: -132.038
bonds (distance) P-C4' energy: -140.659
flat angles C4'-P-C4' energy: -142.185
flat angles P-C4'-P energy: -93.244
tors. eta vs tors. theta energy: -171.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2022.020853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.020853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.020853 (E_RNA)
where:
Base-Base interactions energy: -1376.170
where: short stacking energy: -568.637
Base-Backbone interact. energy: -2.660
local terms energy: -643.191093
where:
bonds (distance) C4'-P energy: -130.811
bonds (distance) P-C4' energy: -125.586
flat angles C4'-P-C4' energy: -145.701
flat angles P-C4'-P energy: -87.890
tors. eta vs tors. theta energy: -153.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1830.167288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.167288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.167288 (E_RNA)
where:
Base-Base interactions energy: -1264.443
where: short stacking energy: -543.873
Base-Backbone interact. energy: 0.153
local terms energy: -565.876948
where:
bonds (distance) C4'-P energy: -104.670
bonds (distance) P-C4' energy: -112.450
flat angles C4'-P-C4' energy: -133.533
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -147.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1784.950716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.950716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.950716 (E_RNA)
where:
Base-Base interactions energy: -1202.206
where: short stacking energy: -561.236
Base-Backbone interact. energy: 0.041
local terms energy: -582.784799
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -121.313
flat angles C4'-P-C4' energy: -140.990
flat angles P-C4'-P energy: -80.900
tors. eta vs tors. theta energy: -134.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1781.296142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.296142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.296142 (E_RNA)
where:
Base-Base interactions energy: -1192.238
where: short stacking energy: -512.630
Base-Backbone interact. energy: -1.242
local terms energy: -587.816682
where:
bonds (distance) C4'-P energy: -106.560
bonds (distance) P-C4' energy: -123.667
flat angles C4'-P-C4' energy: -132.812
flat angles P-C4'-P energy: -83.773
tors. eta vs tors. theta energy: -141.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1449.646739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.646739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.646739 (E_RNA)
where:
Base-Base interactions energy: -911.124
where: short stacking energy: -425.319
Base-Backbone interact. energy: -0.609
local terms energy: -537.913264
where:
bonds (distance) C4'-P energy: -115.671
bonds (distance) P-C4' energy: -122.533
flat angles C4'-P-C4' energy: -133.100
flat angles P-C4'-P energy: -70.728
tors. eta vs tors. theta energy: -95.882
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1231.455111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.455111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.455111 (E_RNA)
where:
Base-Base interactions energy: -757.244
where: short stacking energy: -392.011
Base-Backbone interact. energy: -0.519
local terms energy: -473.692409
where:
bonds (distance) C4'-P energy: -123.845
bonds (distance) P-C4' energy: -102.914
flat angles C4'-P-C4' energy: -121.941
flat angles P-C4'-P energy: -68.989
tors. eta vs tors. theta energy: -56.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -907.250308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.250308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.250308 (E_RNA)
where:
Base-Base interactions energy: -504.360
where: short stacking energy: -257.447
Base-Backbone interact. energy: 0.293
local terms energy: -403.183433
where:
bonds (distance) C4'-P energy: -119.191
bonds (distance) P-C4' energy: -111.175
flat angles C4'-P-C4' energy: -86.386
flat angles P-C4'-P energy: -68.096
tors. eta vs tors. theta energy: -18.336
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: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -899.547237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.547237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.547237 (E_RNA)
where:
Base-Base interactions energy: -498.414
where: short stacking energy: -262.293
Base-Backbone interact. energy: 2.350
local terms energy: -403.483654
where:
bonds (distance) C4'-P energy: -105.815
bonds (distance) P-C4' energy: -113.198
flat angles C4'-P-C4' energy: -109.747
flat angles P-C4'-P energy: -50.508
tors. eta vs tors. theta energy: -24.215
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: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -631.527886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.527886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.527886 (E_RNA)
where:
Base-Base interactions energy: -279.682
where: short stacking energy: -186.466
Base-Backbone interact. energy: -1.019
local terms energy: -350.826409
where:
bonds (distance) C4'-P energy: -109.336
bonds (distance) P-C4' energy: -123.328
flat angles C4'-P-C4' energy: -88.610
flat angles P-C4'-P energy: -45.588
tors. eta vs tors. theta energy: 16.035
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: 55
Temperature: 0.900000
Total energy: -2098.938253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.938253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.938253 (E_RNA)
where:
Base-Base interactions energy: -1429.048
where: short stacking energy: -640.469
Base-Backbone interact. energy: -2.745
local terms energy: -667.145442
where:
bonds (distance) C4'-P energy: -121.757
bonds (distance) P-C4' energy: -129.564
flat angles C4'-P-C4' energy: -147.785
flat angles P-C4'-P energy: -98.451
tors. eta vs tors. theta energy: -169.589
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: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2014.505924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.505924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.505924 (E_RNA)
where:
Base-Base interactions energy: -1357.810
where: short stacking energy: -601.357
Base-Backbone interact. energy: -1.750
local terms energy: -654.946086
where:
bonds (distance) C4'-P energy: -128.572
bonds (distance) P-C4' energy: -136.210
flat angles C4'-P-C4' energy: -135.733
flat angles P-C4'-P energy: -97.257
tors. eta vs tors. theta energy: -157.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1892.724145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.724145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.724145 (E_RNA)
where:
Base-Base interactions energy: -1258.373
where: short stacking energy: -525.070
Base-Backbone interact. energy: -2.099
local terms energy: -632.252187
where:
bonds (distance) C4'-P energy: -135.759
bonds (distance) P-C4' energy: -137.454
flat angles C4'-P-C4' energy: -139.821
flat angles P-C4'-P energy: -84.186
tors. eta vs tors. theta energy: -135.032
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: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1770.854615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.854615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.854615 (E_RNA)
where:
Base-Base interactions energy: -1166.089
where: short stacking energy: -539.849
Base-Backbone interact. energy: -2.380
local terms energy: -602.385220
where:
bonds (distance) C4'-P energy: -112.414
bonds (distance) P-C4' energy: -127.059
flat angles C4'-P-C4' energy: -134.335
flat angles P-C4'-P energy: -82.976
tors. eta vs tors. theta energy: -145.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1806.647701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.647701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.647701 (E_RNA)
where:
Base-Base interactions energy: -1219.804
where: short stacking energy: -528.427
Base-Backbone interact. energy: -2.430
local terms energy: -584.414119
where:
bonds (distance) C4'-P energy: -119.716
bonds (distance) P-C4' energy: -119.116
flat angles C4'-P-C4' energy: -127.900
flat angles P-C4'-P energy: -75.026
tors. eta vs tors. theta energy: -142.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1440.966813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.966813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.966813 (E_RNA)
where:
Base-Base interactions energy: -940.366
where: short stacking energy: -398.118
Base-Backbone interact. energy: -0.177
local terms energy: -500.423568
where:
bonds (distance) C4'-P energy: -105.169
bonds (distance) P-C4' energy: -119.191
flat angles C4'-P-C4' energy: -120.300
flat angles P-C4'-P energy: -76.566
tors. eta vs tors. theta energy: -79.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1277.933820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.933820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.933820 (E_RNA)
where:
Base-Base interactions energy: -763.655
where: short stacking energy: -378.089
Base-Backbone interact. energy: -2.085
local terms energy: -512.193126
where:
bonds (distance) C4'-P energy: -115.961
bonds (distance) P-C4' energy: -125.510
flat angles C4'-P-C4' energy: -114.740
flat angles P-C4'-P energy: -65.064
tors. eta vs tors. theta energy: -90.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -934.377463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.377463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.377463 (E_RNA)
where:
Base-Base interactions energy: -508.104
where: short stacking energy: -298.592
Base-Backbone interact. energy: -1.518
local terms energy: -424.754837
where:
bonds (distance) C4'-P energy: -95.845
bonds (distance) P-C4' energy: -115.216
flat angles C4'-P-C4' energy: -114.879
flat angles P-C4'-P energy: -60.577
tors. eta vs tors. theta energy: -38.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -893.152536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.152536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.152536 (E_RNA)
where:
Base-Base interactions energy: -482.203
where: short stacking energy: -272.343
Base-Backbone interact. energy: -1.880
local terms energy: -409.069325
where:
bonds (distance) C4'-P energy: -95.516
bonds (distance) P-C4' energy: -115.505
flat angles C4'-P-C4' energy: -98.340
flat angles P-C4'-P energy: -65.114
tors. eta vs tors. theta energy: -34.594
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: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -617.841641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.841641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.841641 (E_RNA)
where:
Base-Base interactions energy: -261.004
where: short stacking energy: -156.756
Base-Backbone interact. energy: 4.144
local terms energy: -360.981095
where:
bonds (distance) C4'-P energy: -115.790
bonds (distance) P-C4' energy: -85.625
flat angles C4'-P-C4' energy: -100.690
flat angles P-C4'-P energy: -71.000
tors. eta vs tors. theta energy: 12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2063.567962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.567962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.567962 (E_RNA)
where:
Base-Base interactions energy: -1377.010
where: short stacking energy: -606.884
Base-Backbone interact. energy: -5.346
local terms energy: -681.212582
where:
bonds (distance) C4'-P energy: -127.244
bonds (distance) P-C4' energy: -136.533
flat angles C4'-P-C4' energy: -151.450
flat angles P-C4'-P energy: -93.462
tors. eta vs tors. theta energy: -172.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1984.733199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.733199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.733199 (E_RNA)
where:
Base-Base interactions energy: -1354.465
where: short stacking energy: -574.072
Base-Backbone interact. energy: -1.309
local terms energy: -628.959766
where:
bonds (distance) C4'-P energy: -123.505
bonds (distance) P-C4' energy: -135.889
flat angles C4'-P-C4' energy: -140.501
flat angles P-C4'-P energy: -81.525
tors. eta vs tors. theta energy: -147.540
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: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1841.469984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.469984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.469984 (E_RNA)
where:
Base-Base interactions energy: -1245.886
where: short stacking energy: -513.091
Base-Backbone interact. energy: 1.790
local terms energy: -597.373988
where:
bonds (distance) C4'-P energy: -124.926
bonds (distance) P-C4' energy: -123.867
flat angles C4'-P-C4' energy: -128.579
flat angles P-C4'-P energy: -95.216
tors. eta vs tors. theta energy: -124.787
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: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1756.198805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.198805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.198805 (E_RNA)
where:
Base-Base interactions energy: -1176.650
where: short stacking energy: -515.842
Base-Backbone interact. energy: -2.582
local terms energy: -576.967307
where:
bonds (distance) C4'-P energy: -128.235
bonds (distance) P-C4' energy: -107.300
flat angles C4'-P-C4' energy: -127.929
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -130.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1759.208861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.208861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.208861 (E_RNA)
where:
Base-Base interactions energy: -1155.571
where: short stacking energy: -509.380
Base-Backbone interact. energy: -0.369
local terms energy: -603.268854
where:
bonds (distance) C4'-P energy: -129.550
bonds (distance) P-C4' energy: -127.887
flat angles C4'-P-C4' energy: -138.705
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -128.302
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: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1394.539407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.539407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.539407 (E_RNA)
where:
Base-Base interactions energy: -892.883
where: short stacking energy: -397.130
Base-Backbone interact. energy: -4.235
local terms energy: -497.420779
where:
bonds (distance) C4'-P energy: -116.935
bonds (distance) P-C4' energy: -122.538
flat angles C4'-P-C4' energy: -115.622
flat angles P-C4'-P energy: -64.391
tors. eta vs tors. theta energy: -77.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1317.781291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.781291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.781291 (E_RNA)
where:
Base-Base interactions energy: -844.862
where: short stacking energy: -389.779
Base-Backbone interact. energy: -2.809
local terms energy: -470.109894
where:
bonds (distance) C4'-P energy: -109.787
bonds (distance) P-C4' energy: -103.469
flat angles C4'-P-C4' energy: -111.960
flat angles P-C4'-P energy: -55.091
tors. eta vs tors. theta energy: -89.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -921.210341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.210341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.210341 (E_RNA)
where:
Base-Base interactions energy: -509.324
where: short stacking energy: -266.205
Base-Backbone interact. energy: 0.738
local terms energy: -412.624180
where:
bonds (distance) C4'-P energy: -131.785
bonds (distance) P-C4' energy: -112.343
flat angles C4'-P-C4' energy: -109.362
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -849.380419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.380419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.380419 (E_RNA)
where:
Base-Base interactions energy: -479.547
where: short stacking energy: -297.913
Base-Backbone interact. energy: 5.908
local terms energy: -375.741033
where:
bonds (distance) C4'-P energy: -97.913
bonds (distance) P-C4' energy: -121.038
flat angles C4'-P-C4' energy: -81.873
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -650.176017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.176017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.176017 (E_RNA)
where:
Base-Base interactions energy: -326.257
where: short stacking energy: -194.505
Base-Backbone interact. energy: 1.888
local terms energy: -325.807127
where:
bonds (distance) C4'-P energy: -108.592
bonds (distance) P-C4' energy: -98.866
flat angles C4'-P-C4' energy: -75.921
flat angles P-C4'-P energy: -58.138
tors. eta vs tors. theta energy: 15.710
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: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2047.308553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.308553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.308553 (E_RNA)
where:
Base-Base interactions energy: -1364.200
where: short stacking energy: -594.254
Base-Backbone interact. energy: 0.442
local terms energy: -683.550725
where:
bonds (distance) C4'-P energy: -130.603
bonds (distance) P-C4' energy: -137.552
flat angles C4'-P-C4' energy: -141.952
flat angles P-C4'-P energy: -109.584
tors. eta vs tors. theta energy: -163.860
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: 57
Temperature: 0.950000
Total energy: -2006.043571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.043571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.043571 (E_RNA)
where:
Base-Base interactions energy: -1373.390
where: short stacking energy: -571.768
Base-Backbone interact. energy: -4.522
local terms energy: -628.131836
where:
bonds (distance) C4'-P energy: -115.549
bonds (distance) P-C4' energy: -137.525
flat angles C4'-P-C4' energy: -135.943
flat angles P-C4'-P energy: -82.649
tors. eta vs tors. theta energy: -156.465
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: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1878.646578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.646578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.646578 (E_RNA)
where:
Base-Base interactions energy: -1257.977
where: short stacking energy: -558.840
Base-Backbone interact. energy: -2.490
local terms energy: -618.179931
where:
bonds (distance) C4'-P energy: -128.670
bonds (distance) P-C4' energy: -132.936
flat angles C4'-P-C4' energy: -134.709
flat angles P-C4'-P energy: -84.618
tors. eta vs tors. theta energy: -137.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1866.389310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.389310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.389310 (E_RNA)
where:
Base-Base interactions energy: -1272.799
where: short stacking energy: -581.539
Base-Backbone interact. energy: -2.969
local terms energy: -590.620919
where:
bonds (distance) C4'-P energy: -100.880
bonds (distance) P-C4' energy: -116.536
flat angles C4'-P-C4' energy: -134.383
flat angles P-C4'-P energy: -85.958
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: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1711.675529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.675529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.675529 (E_RNA)
where:
Base-Base interactions energy: -1138.388
where: short stacking energy: -482.916
Base-Backbone interact. energy: -1.467
local terms energy: -571.819801
where:
bonds (distance) C4'-P energy: -112.102
bonds (distance) P-C4' energy: -127.033
flat angles C4'-P-C4' energy: -138.228
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -119.791
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: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1322.531942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.531942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.531942 (E_RNA)
where:
Base-Base interactions energy: -824.858
where: short stacking energy: -389.712
Base-Backbone interact. energy: -0.290
local terms energy: -497.384301
where:
bonds (distance) C4'-P energy: -111.689
bonds (distance) P-C4' energy: -138.477
flat angles C4'-P-C4' energy: -121.983
flat angles P-C4'-P energy: -59.753
tors. eta vs tors. theta energy: -65.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1367.877211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.877211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.877211 (E_RNA)
where:
Base-Base interactions energy: -852.546
where: short stacking energy: -395.006
Base-Backbone interact. energy: 1.425
local terms energy: -516.756511
where:
bonds (distance) C4'-P energy: -114.990
bonds (distance) P-C4' energy: -121.966
flat angles C4'-P-C4' energy: -124.772
flat angles P-C4'-P energy: -78.191
tors. eta vs tors. theta energy: -76.837
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: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -988.407762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.407762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.407762 (E_RNA)
where:
Base-Base interactions energy: -540.426
where: short stacking energy: -311.680
Base-Backbone interact. energy: 2.791
local terms energy: -450.772796
where:
bonds (distance) C4'-P energy: -94.799
bonds (distance) P-C4' energy: -112.008
flat angles C4'-P-C4' energy: -113.937
flat angles P-C4'-P energy: -80.259
tors. eta vs tors. theta energy: -49.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -853.309093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.309093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.309093 (E_RNA)
where:
Base-Base interactions energy: -470.071
where: short stacking energy: -278.197
Base-Backbone interact. energy: -1.378
local terms energy: -381.859587
where:
bonds (distance) C4'-P energy: -103.409
bonds (distance) P-C4' energy: -101.530
flat angles C4'-P-C4' energy: -96.491
flat angles P-C4'-P energy: -57.610
tors. eta vs tors. theta energy: -22.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -707.518623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.518623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.518623 (E_RNA)
where:
Base-Base interactions energy: -352.533
where: short stacking energy: -204.076
Base-Backbone interact. energy: -5.114
local terms energy: -349.872385
where:
bonds (distance) C4'-P energy: -90.552
bonds (distance) P-C4' energy: -132.502
flat angles C4'-P-C4' energy: -87.440
flat angles P-C4'-P energy: -52.727
tors. eta vs tors. theta energy: 13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2068.704161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.704161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.704161 (E_RNA)
where:
Base-Base interactions energy: -1407.839
where: short stacking energy: -589.782
Base-Backbone interact. energy: -3.212
local terms energy: -657.653281
where:
bonds (distance) C4'-P energy: -132.602
bonds (distance) P-C4' energy: -138.889
flat angles C4'-P-C4' energy: -137.979
flat angles P-C4'-P energy: -83.799
tors. eta vs tors. theta energy: -164.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1972.871326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.871326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.871326 (E_RNA)
where:
Base-Base interactions energy: -1326.390
where: short stacking energy: -589.534
Base-Backbone interact. energy: 1.472
local terms energy: -647.954201
where:
bonds (distance) C4'-P energy: -129.972
bonds (distance) P-C4' energy: -125.988
flat angles C4'-P-C4' energy: -137.987
flat angles P-C4'-P energy: -103.112
tors. eta vs tors. theta energy: -150.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1851.152522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.152522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.152522 (E_RNA)
where:
Base-Base interactions energy: -1244.123
where: short stacking energy: -542.283
Base-Backbone interact. energy: 0.360
local terms energy: -607.389079
where:
bonds (distance) C4'-P energy: -125.206
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -134.730
flat angles P-C4'-P energy: -71.722
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1917.005845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.005845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.005845 (E_RNA)
where:
Base-Base interactions energy: -1287.459
where: short stacking energy: -541.576
Base-Backbone interact. energy: -0.594
local terms energy: -628.953111
where:
bonds (distance) C4'-P energy: -121.358
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -139.425
flat angles P-C4'-P energy: -91.162
tors. eta vs tors. theta energy: -146.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1667.945019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.945019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.945019 (E_RNA)
where:
Base-Base interactions energy: -1093.429
where: short stacking energy: -461.971
Base-Backbone interact. energy: -2.206
local terms energy: -572.310139
where:
bonds (distance) C4'-P energy: -116.052
bonds (distance) P-C4' energy: -134.270
flat angles C4'-P-C4' energy: -124.821
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -110.114
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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1343.878171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.878171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.878171 (E_RNA)
where:
Base-Base interactions energy: -849.729
where: short stacking energy: -380.947
Base-Backbone interact. energy: -2.810
local terms energy: -491.338658
where:
bonds (distance) C4'-P energy: -100.625
bonds (distance) P-C4' energy: -127.472
flat angles C4'-P-C4' energy: -109.237
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -73.542
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: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1457.013849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.013849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.013849 (E_RNA)
where:
Base-Base interactions energy: -960.077
where: short stacking energy: -433.537
Base-Backbone interact. energy: -4.122
local terms energy: -492.814979
where:
bonds (distance) C4'-P energy: -104.181
bonds (distance) P-C4' energy: -118.071
flat angles C4'-P-C4' energy: -122.654
flat angles P-C4'-P energy: -59.377
tors. eta vs tors. theta energy: -88.531
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: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1004.340869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.340869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.340869 (E_RNA)
where:
Base-Base interactions energy: -572.623
where: short stacking energy: -280.079
Base-Backbone interact. energy: -2.571
local terms energy: -429.146771
where:
bonds (distance) C4'-P energy: -108.797
bonds (distance) P-C4' energy: -125.029
flat angles C4'-P-C4' energy: -95.323
flat angles P-C4'-P energy: -80.068
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -817.871177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.871177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.871177 (E_RNA)
where:
Base-Base interactions energy: -427.959
where: short stacking energy: -228.507
Base-Backbone interact. energy: -1.373
local terms energy: -388.538929
where:
bonds (distance) C4'-P energy: -122.638
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -96.463
flat angles P-C4'-P energy: -45.299
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -682.559290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.559290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.559290 (E_RNA)
where:
Base-Base interactions energy: -328.839
where: short stacking energy: -199.663
Base-Backbone interact. energy: 1.317
local terms energy: -355.036784
where:
bonds (distance) C4'-P energy: -115.168
bonds (distance) P-C4' energy: -106.766
flat angles C4'-P-C4' energy: -85.507
flat angles P-C4'-P energy: -48.991
tors. eta vs tors. theta energy: 1.395
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: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2110.231587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.231587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.231587 (E_RNA)
where:
Base-Base interactions energy: -1431.922
where: short stacking energy: -624.235
Base-Backbone interact. energy: -1.936
local terms energy: -676.373118
where:
bonds (distance) C4'-P energy: -126.560
bonds (distance) P-C4' energy: -142.029
flat angles C4'-P-C4' energy: -150.519
flat angles P-C4'-P energy: -85.176
tors. eta vs tors. theta energy: -172.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2000.250224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.250224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.250224 (E_RNA)
where:
Base-Base interactions energy: -1351.364
where: short stacking energy: -601.165
Base-Backbone interact. energy: 1.524
local terms energy: -650.409612
where:
bonds (distance) C4'-P energy: -120.670
bonds (distance) P-C4' energy: -133.415
flat angles C4'-P-C4' energy: -136.215
flat angles P-C4'-P energy: -95.946
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: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1808.003422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.003422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.003422 (E_RNA)
where:
Base-Base interactions energy: -1188.800
where: short stacking energy: -539.384
Base-Backbone interact. energy: -4.167
local terms energy: -615.036703
where:
bonds (distance) C4'-P energy: -122.419
bonds (distance) P-C4' energy: -128.816
flat angles C4'-P-C4' energy: -146.232
flat angles P-C4'-P energy: -88.832
tors. eta vs tors. theta energy: -128.738
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: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1906.617955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.617955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.617955 (E_RNA)
where:
Base-Base interactions energy: -1293.134
where: short stacking energy: -547.720
Base-Backbone interact. energy: -2.557
local terms energy: -610.927464
where:
bonds (distance) C4'-P energy: -128.007
bonds (distance) P-C4' energy: -120.664
flat angles C4'-P-C4' energy: -131.067
flat angles P-C4'-P energy: -73.494
tors. eta vs tors. theta energy: -157.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1686.579223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.579223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.579223 (E_RNA)
where:
Base-Base interactions energy: -1094.786
where: short stacking energy: -498.031
Base-Backbone interact. energy: -1.394
local terms energy: -590.399774
where:
bonds (distance) C4'-P energy: -114.995
bonds (distance) P-C4' energy: -112.151
flat angles C4'-P-C4' energy: -135.260
flat angles P-C4'-P energy: -103.940
tors. eta vs tors. theta energy: -124.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1453.367185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.367185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.367185 (E_RNA)
where:
Base-Base interactions energy: -928.015
where: short stacking energy: -406.430
Base-Backbone interact. energy: -0.688
local terms energy: -524.663952
where:
bonds (distance) C4'-P energy: -111.718
bonds (distance) P-C4' energy: -114.310
flat angles C4'-P-C4' energy: -117.930
flat angles P-C4'-P energy: -82.010
tors. eta vs tors. theta energy: -98.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1297.063854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.063854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.063854 (E_RNA)
where:
Base-Base interactions energy: -787.148
where: short stacking energy: -354.960
Base-Backbone interact. energy: -1.603
local terms energy: -508.313114
where:
bonds (distance) C4'-P energy: -120.810
bonds (distance) P-C4' energy: -126.724
flat angles C4'-P-C4' energy: -108.013
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -78.320
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: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1015.328257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.328257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.328257 (E_RNA)
where:
Base-Base interactions energy: -596.736
where: short stacking energy: -297.765
Base-Backbone interact. energy: -3.690
local terms energy: -414.902723
where:
bonds (distance) C4'-P energy: -98.666
bonds (distance) P-C4' energy: -115.446
flat angles C4'-P-C4' energy: -109.827
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -42.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -903.252364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.252364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.252364 (E_RNA)
where:
Base-Base interactions energy: -521.283
where: short stacking energy: -248.818
Base-Backbone interact. energy: 1.253
local terms energy: -383.222123
where:
bonds (distance) C4'-P energy: -92.108
bonds (distance) P-C4' energy: -95.063
flat angles C4'-P-C4' energy: -123.098
flat angles P-C4'-P energy: -42.993
tors. eta vs tors. theta energy: -29.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -670.725905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.725905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.725905 (E_RNA)
where:
Base-Base interactions energy: -291.594
where: short stacking energy: -172.907
Base-Backbone interact. energy: -1.339
local terms energy: -377.793751
where:
bonds (distance) C4'-P energy: -112.398
bonds (distance) P-C4' energy: -115.113
flat angles C4'-P-C4' energy: -108.800
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: 8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2132.765888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.765888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.765888 (E_RNA)
where:
Base-Base interactions energy: -1469.484
where: short stacking energy: -613.054
Base-Backbone interact. energy: 1.962
local terms energy: -665.244382
where:
bonds (distance) C4'-P energy: -134.212
bonds (distance) P-C4' energy: -129.096
flat angles C4'-P-C4' energy: -141.453
flat angles P-C4'-P energy: -92.990
tors. eta vs tors. theta energy: -167.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1981.338337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.338337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.338337 (E_RNA)
where:
Base-Base interactions energy: -1324.189
where: short stacking energy: -585.901
Base-Backbone interact. energy: 0.630
local terms energy: -657.780042
where:
bonds (distance) C4'-P energy: -119.444
bonds (distance) P-C4' energy: -120.455
flat angles C4'-P-C4' energy: -148.266
flat angles P-C4'-P energy: -102.125
tors. eta vs tors. theta energy: -167.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1947.362532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.362532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.362532 (E_RNA)
where:
Base-Base interactions energy: -1318.350
where: short stacking energy: -579.924
Base-Backbone interact. energy: 1.349
local terms energy: -630.362132
where:
bonds (distance) C4'-P energy: -118.326
bonds (distance) P-C4' energy: -136.224
flat angles C4'-P-C4' energy: -132.046
flat angles P-C4'-P energy: -93.218
tors. eta vs tors. theta energy: -150.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1798.213529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.213529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.213529 (E_RNA)
where:
Base-Base interactions energy: -1207.472
where: short stacking energy: -545.875
Base-Backbone interact. energy: 4.230
local terms energy: -594.971968
where:
bonds (distance) C4'-P energy: -113.051
bonds (distance) P-C4' energy: -126.807
flat angles C4'-P-C4' energy: -139.945
flat angles P-C4'-P energy: -82.463
tors. eta vs tors. theta energy: -132.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1712.545715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.545715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.545715 (E_RNA)
where:
Base-Base interactions energy: -1143.927
where: short stacking energy: -516.469
Base-Backbone interact. energy: -1.116
local terms energy: -567.502902
where:
bonds (distance) C4'-P energy: -117.146
bonds (distance) P-C4' energy: -110.829
flat angles C4'-P-C4' energy: -142.560
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -121.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1491.105243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.105243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.105243 (E_RNA)
where:
Base-Base interactions energy: -951.385
where: short stacking energy: -426.317
Base-Backbone interact. energy: -1.411
local terms energy: -538.308442
where:
bonds (distance) C4'-P energy: -121.665
bonds (distance) P-C4' energy: -106.396
flat angles C4'-P-C4' energy: -128.678
flat angles P-C4'-P energy: -82.974
tors. eta vs tors. theta energy: -98.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1330.339456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.339456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.339456 (E_RNA)
where:
Base-Base interactions energy: -854.658
where: short stacking energy: -376.478
Base-Backbone interact. energy: -0.113
local terms energy: -475.567864
where:
bonds (distance) C4'-P energy: -78.384
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -119.408
flat angles P-C4'-P energy: -68.258
tors. eta vs tors. theta energy: -92.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1035.075988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.075988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.075988 (E_RNA)
where:
Base-Base interactions energy: -595.084
where: short stacking energy: -299.654
Base-Backbone interact. energy: -5.294
local terms energy: -434.698301
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -116.406
flat angles C4'-P-C4' energy: -123.910
flat angles P-C4'-P energy: -59.141
tors. eta vs tors. theta energy: -39.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -902.882029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.882029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.882029 (E_RNA)
where:
Base-Base interactions energy: -502.377
where: short stacking energy: -274.885
Base-Backbone interact. energy: 3.448
local terms energy: -403.953224
where:
bonds (distance) C4'-P energy: -92.079
bonds (distance) P-C4' energy: -121.114
flat angles C4'-P-C4' energy: -95.889
flat angles P-C4'-P energy: -63.782
tors. eta vs tors. theta energy: -31.090
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: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -638.648421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.648421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.648421 (E_RNA)
where:
Base-Base interactions energy: -323.867
where: short stacking energy: -177.847
Base-Backbone interact. energy: -0.997
local terms energy: -313.784147
where:
bonds (distance) C4'-P energy: -82.602
bonds (distance) P-C4' energy: -104.204
flat angles C4'-P-C4' energy: -85.594
flat angles P-C4'-P energy: -52.698
tors. eta vs tors. theta energy: 11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2127.522294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.522294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.522294 (E_RNA)
where:
Base-Base interactions energy: -1440.680
where: short stacking energy: -572.178
Base-Backbone interact. energy: -0.984
local terms energy: -685.858474
where:
bonds (distance) C4'-P energy: -141.779
bonds (distance) P-C4' energy: -130.438
flat angles C4'-P-C4' energy: -143.666
flat angles P-C4'-P energy: -103.251
tors. eta vs tors. theta energy: -166.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1989.007539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.007539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.007539 (E_RNA)
where:
Base-Base interactions energy: -1345.464
where: short stacking energy: -593.292
Base-Backbone interact. energy: 1.699
local terms energy: -645.242464
where:
bonds (distance) C4'-P energy: -124.476
bonds (distance) P-C4' energy: -117.469
flat angles C4'-P-C4' energy: -149.101
flat angles P-C4'-P energy: -104.340
tors. eta vs tors. theta energy: -149.856
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: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1937.384894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.384894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.384894 (E_RNA)
where:
Base-Base interactions energy: -1292.043
where: short stacking energy: -571.826
Base-Backbone interact. energy: -5.488
local terms energy: -639.854162
where:
bonds (distance) C4'-P energy: -121.287
bonds (distance) P-C4' energy: -122.679
flat angles C4'-P-C4' energy: -135.651
flat angles P-C4'-P energy: -95.518
tors. eta vs tors. theta energy: -164.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1768.410705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.410705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.410705 (E_RNA)
where:
Base-Base interactions energy: -1155.824
where: short stacking energy: -531.462
Base-Backbone interact. energy: -0.408
local terms energy: -612.179156
where:
bonds (distance) C4'-P energy: -113.181
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -143.489
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -135.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1703.725962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.725962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.725962 (E_RNA)
where:
Base-Base interactions energy: -1146.152
where: short stacking energy: -485.512
Base-Backbone interact. energy: -0.833
local terms energy: -556.741270
where:
bonds (distance) C4'-P energy: -122.242
bonds (distance) P-C4' energy: -110.752
flat angles C4'-P-C4' energy: -125.889
flat angles P-C4'-P energy: -75.839
tors. eta vs tors. theta energy: -122.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1438.584043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.584043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.584043 (E_RNA)
where:
Base-Base interactions energy: -902.545
where: short stacking energy: -421.009
Base-Backbone interact. energy: 2.012
local terms energy: -538.051124
where:
bonds (distance) C4'-P energy: -135.459
bonds (distance) P-C4' energy: -111.794
flat angles C4'-P-C4' energy: -109.050
flat angles P-C4'-P energy: -82.031
tors. eta vs tors. theta energy: -99.716
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: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1314.071574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.071574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.071574 (E_RNA)
where:
Base-Base interactions energy: -824.881
where: short stacking energy: -375.687
Base-Backbone interact. energy: -0.537
local terms energy: -488.653871
where:
bonds (distance) C4'-P energy: -95.448
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -109.585
flat angles P-C4'-P energy: -78.726
tors. eta vs tors. theta energy: -88.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1143.756577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.756577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.756577 (E_RNA)
where:
Base-Base interactions energy: -683.307
where: short stacking energy: -311.940
Base-Backbone interact. energy: 1.386
local terms energy: -461.835060
where:
bonds (distance) C4'-P energy: -105.832
bonds (distance) P-C4' energy: -110.811
flat angles C4'-P-C4' energy: -103.757
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -62.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -932.055071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.055071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.055071 (E_RNA)
where:
Base-Base interactions energy: -543.905
where: short stacking energy: -253.119
Base-Backbone interact. energy: 8.743
local terms energy: -396.893864
where:
bonds (distance) C4'-P energy: -95.561
bonds (distance) P-C4' energy: -107.095
flat angles C4'-P-C4' energy: -101.947
flat angles P-C4'-P energy: -81.007
tors. eta vs tors. theta energy: -11.284
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: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -629.753304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.753304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.753304 (E_RNA)
where:
Base-Base interactions energy: -303.739
where: short stacking energy: -165.230
Base-Backbone interact. energy: -1.182
local terms energy: -324.832414
where:
bonds (distance) C4'-P energy: -112.426
bonds (distance) P-C4' energy: -92.569
flat angles C4'-P-C4' energy: -85.167
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: 9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2124.605460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.605460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.605460 (E_RNA)
where:
Base-Base interactions energy: -1472.840
where: short stacking energy: -624.466
Base-Backbone interact. energy: -1.319
local terms energy: -650.445706
where:
bonds (distance) C4'-P energy: -121.755
bonds (distance) P-C4' energy: -126.027
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -85.320
tors. eta vs tors. theta energy: -174.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2015.974591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.974591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.974591 (E_RNA)
where:
Base-Base interactions energy: -1349.839
where: short stacking energy: -604.163
Base-Backbone interact. energy: -0.316
local terms energy: -665.819122
where:
bonds (distance) C4'-P energy: -133.295
bonds (distance) P-C4' energy: -135.300
flat angles C4'-P-C4' energy: -146.293
flat angles P-C4'-P energy: -86.265
tors. eta vs tors. theta energy: -164.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1958.939377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.939377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.939377 (E_RNA)
where:
Base-Base interactions energy: -1320.949
where: short stacking energy: -579.834
Base-Backbone interact. energy: -1.575
local terms energy: -636.415689
where:
bonds (distance) C4'-P energy: -127.103
bonds (distance) P-C4' energy: -124.696
flat angles C4'-P-C4' energy: -134.743
flat angles P-C4'-P energy: -90.232
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: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1787.987419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.987419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.987419 (E_RNA)
where:
Base-Base interactions energy: -1185.100
where: short stacking energy: -530.999
Base-Backbone interact. energy: -1.475
local terms energy: -601.412554
where:
bonds (distance) C4'-P energy: -113.991
bonds (distance) P-C4' energy: -132.233
flat angles C4'-P-C4' energy: -135.162
flat angles P-C4'-P energy: -79.319
tors. eta vs tors. theta energy: -140.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1743.327251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.327251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.327251 (E_RNA)
where:
Base-Base interactions energy: -1152.441
where: short stacking energy: -506.120
Base-Backbone interact. energy: -3.477
local terms energy: -587.408861
where:
bonds (distance) C4'-P energy: -104.922
bonds (distance) P-C4' energy: -123.444
flat angles C4'-P-C4' energy: -138.079
flat angles P-C4'-P energy: -77.580
tors. eta vs tors. theta energy: -143.384
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: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1375.203580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.203580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.203580 (E_RNA)
where:
Base-Base interactions energy: -866.173
where: short stacking energy: -417.941
Base-Backbone interact. energy: -3.660
local terms energy: -505.370531
where:
bonds (distance) C4'-P energy: -114.758
bonds (distance) P-C4' energy: -108.225
flat angles C4'-P-C4' energy: -121.055
flat angles P-C4'-P energy: -73.751
tors. eta vs tors. theta energy: -87.581
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: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1330.503253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.503253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.503253 (E_RNA)
where:
Base-Base interactions energy: -818.124
where: short stacking energy: -371.649
Base-Backbone interact. energy: -2.251
local terms energy: -510.128818
where:
bonds (distance) C4'-P energy: -122.277
bonds (distance) P-C4' energy: -103.616
flat angles C4'-P-C4' energy: -127.854
flat angles P-C4'-P energy: -75.466
tors. eta vs tors. theta energy: -80.916
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1092.683792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.683792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.683792 (E_RNA)
where:
Base-Base interactions energy: -643.657
where: short stacking energy: -303.053
Base-Backbone interact. energy: -1.309
local terms energy: -447.717985
where:
bonds (distance) C4'-P energy: -111.314
bonds (distance) P-C4' energy: -104.120
flat angles C4'-P-C4' energy: -110.241
flat angles P-C4'-P energy: -73.181
tors. eta vs tors. theta energy: -48.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -920.330662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.330662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.330662 (E_RNA)
where:
Base-Base interactions energy: -554.181
where: short stacking energy: -282.635
Base-Backbone interact. energy: -1.615
local terms energy: -364.534709
where:
bonds (distance) C4'-P energy: -96.106
bonds (distance) P-C4' energy: -93.309
flat angles C4'-P-C4' energy: -88.625
flat angles P-C4'-P energy: -55.648
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -680.304962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.304962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.304962 (E_RNA)
where:
Base-Base interactions energy: -326.100
where: short stacking energy: -188.475
Base-Backbone interact. energy: -0.188
local terms energy: -354.016209
where:
bonds (distance) C4'-P energy: -97.008
bonds (distance) P-C4' energy: -115.572
flat angles C4'-P-C4' energy: -101.918
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: 1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2164.803413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.803413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.803413 (E_RNA)
where:
Base-Base interactions energy: -1470.453
where: short stacking energy: -645.730
Base-Backbone interact. energy: -2.136
local terms energy: -692.214971
where:
bonds (distance) C4'-P energy: -131.060
bonds (distance) P-C4' energy: -143.038
flat angles C4'-P-C4' energy: -144.548
flat angles P-C4'-P energy: -95.151
tors. eta vs tors. theta energy: -178.418
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: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1987.042313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.042313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.042313 (E_RNA)
where:
Base-Base interactions energy: -1356.202
where: short stacking energy: -586.666
Base-Backbone interact. energy: -2.406
local terms energy: -628.434199
where:
bonds (distance) C4'-P energy: -118.695
bonds (distance) P-C4' energy: -129.636
flat angles C4'-P-C4' energy: -138.975
flat angles P-C4'-P energy: -97.158
tors. eta vs tors. theta energy: -143.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1983.650362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.650362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.650362 (E_RNA)
where:
Base-Base interactions energy: -1361.611
where: short stacking energy: -581.888
Base-Backbone interact. energy: -3.833
local terms energy: -618.205862
where:
bonds (distance) C4'-P energy: -124.244
bonds (distance) P-C4' energy: -95.014
flat angles C4'-P-C4' energy: -141.753
flat angles P-C4'-P energy: -98.525
tors. eta vs tors. theta energy: -158.671
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: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1832.601129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.601129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.601129 (E_RNA)
where:
Base-Base interactions energy: -1242.810
where: short stacking energy: -547.214
Base-Backbone interact. energy: -2.814
local terms energy: -586.977091
where:
bonds (distance) C4'-P energy: -111.806
bonds (distance) P-C4' energy: -124.351
flat angles C4'-P-C4' energy: -137.459
flat angles P-C4'-P energy: -79.437
tors. eta vs tors. theta energy: -133.923
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: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1707.304422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.304422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.304422 (E_RNA)
where:
Base-Base interactions energy: -1159.471
where: short stacking energy: -486.079
Base-Backbone interact. energy: 2.320
local terms energy: -550.153533
where:
bonds (distance) C4'-P energy: -106.986
bonds (distance) P-C4' energy: -128.519
flat angles C4'-P-C4' energy: -120.010
flat angles P-C4'-P energy: -83.586
tors. eta vs tors. theta energy: -111.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1404.118979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.118979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.118979 (E_RNA)
where:
Base-Base interactions energy: -872.850
where: short stacking energy: -433.725
Base-Backbone interact. energy: 1.000
local terms energy: -532.269137
where:
bonds (distance) C4'-P energy: -105.187
bonds (distance) P-C4' energy: -123.345
flat angles C4'-P-C4' energy: -132.002
flat angles P-C4'-P energy: -83.567
tors. eta vs tors. theta energy: -88.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1376.285313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.285313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.285313 (E_RNA)
where:
Base-Base interactions energy: -874.708
where: short stacking energy: -393.268
Base-Backbone interact. energy: -2.947
local terms energy: -498.630656
where:
bonds (distance) C4'-P energy: -113.113
bonds (distance) P-C4' energy: -115.299
flat angles C4'-P-C4' energy: -113.777
flat angles P-C4'-P energy: -67.720
tors. eta vs tors. theta energy: -88.721
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1103.117125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.117125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.117125 (E_RNA)
where:
Base-Base interactions energy: -668.470
where: short stacking energy: -328.204
Base-Backbone interact. energy: 1.465
local terms energy: -436.111953
where:
bonds (distance) C4'-P energy: -106.967
bonds (distance) P-C4' energy: -112.826
flat angles C4'-P-C4' energy: -102.339
flat angles P-C4'-P energy: -57.081
tors. eta vs tors. theta energy: -56.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -945.906899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.906899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.906899 (E_RNA)
where:
Base-Base interactions energy: -514.405
where: short stacking energy: -267.741
Base-Backbone interact. energy: -2.332
local terms energy: -429.169229
where:
bonds (distance) C4'-P energy: -124.630
bonds (distance) P-C4' energy: -122.896
flat angles C4'-P-C4' energy: -105.970
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -27.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -716.548473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.548473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.548473 (E_RNA)
where:
Base-Base interactions energy: -344.719
where: short stacking energy: -199.365
Base-Backbone interact. energy: 4.932
local terms energy: -376.761774
where:
bonds (distance) C4'-P energy: -116.733
bonds (distance) P-C4' energy: -114.190
flat angles C4'-P-C4' energy: -100.268
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: 10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2141.624285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.624285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.624285 (E_RNA)
where:
Base-Base interactions energy: -1485.739
where: short stacking energy: -646.042
Base-Backbone interact. energy: -3.443
local terms energy: -652.441981
where:
bonds (distance) C4'-P energy: -111.896
bonds (distance) P-C4' energy: -121.950
flat angles C4'-P-C4' energy: -147.800
flat angles P-C4'-P energy: -100.863
tors. eta vs tors. theta energy: -169.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2037.083334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.083334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.083334 (E_RNA)
where:
Base-Base interactions energy: -1345.164
where: short stacking energy: -607.691
Base-Backbone interact. energy: -2.589
local terms energy: -689.330799
where:
bonds (distance) C4'-P energy: -137.390
bonds (distance) P-C4' energy: -136.362
flat angles C4'-P-C4' energy: -144.847
flat angles P-C4'-P energy: -97.733
tors. eta vs tors. theta energy: -172.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2016.081917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.081917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.081917 (E_RNA)
where:
Base-Base interactions energy: -1353.181
where: short stacking energy: -587.915
Base-Backbone interact. energy: -2.164
local terms energy: -660.737156
where:
bonds (distance) C4'-P energy: -127.322
bonds (distance) P-C4' energy: -130.536
flat angles C4'-P-C4' energy: -145.054
flat angles P-C4'-P energy: -87.622
tors. eta vs tors. theta energy: -170.203
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: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1810.959644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.959644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.959644 (E_RNA)
where:
Base-Base interactions energy: -1204.512
where: short stacking energy: -508.047
Base-Backbone interact. energy: -1.284
local terms energy: -605.163248
where:
bonds (distance) C4'-P energy: -129.395
bonds (distance) P-C4' energy: -118.632
flat angles C4'-P-C4' energy: -136.036
flat angles P-C4'-P energy: -94.064
tors. eta vs tors. theta energy: -127.037
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: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1665.016174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.016174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.016174 (E_RNA)
where:
Base-Base interactions energy: -1098.421
where: short stacking energy: -479.070
Base-Backbone interact. energy: 0.448
local terms energy: -567.043218
where:
bonds (distance) C4'-P energy: -111.585
bonds (distance) P-C4' energy: -117.443
flat angles C4'-P-C4' energy: -127.003
flat angles P-C4'-P energy: -96.901
tors. eta vs tors. theta energy: -114.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1423.167152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.167152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.167152 (E_RNA)
where:
Base-Base interactions energy: -927.201
where: short stacking energy: -462.429
Base-Backbone interact. energy: -1.794
local terms energy: -494.171614
where:
bonds (distance) C4'-P energy: -100.925
bonds (distance) P-C4' energy: -107.286
flat angles C4'-P-C4' energy: -116.450
flat angles P-C4'-P energy: -65.755
tors. eta vs tors. theta energy: -103.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1397.800266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.800266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.800266 (E_RNA)
where:
Base-Base interactions energy: -864.964
where: short stacking energy: -400.334
Base-Backbone interact. energy: -0.412
local terms energy: -532.423867
where:
bonds (distance) C4'-P energy: -116.778
bonds (distance) P-C4' energy: -125.205
flat angles C4'-P-C4' energy: -116.375
flat angles P-C4'-P energy: -84.473
tors. eta vs tors. theta energy: -89.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1122.452366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.452366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.452366 (E_RNA)
where:
Base-Base interactions energy: -693.738
where: short stacking energy: -309.622
Base-Backbone interact. energy: -2.495
local terms energy: -426.219012
where:
bonds (distance) C4'-P energy: -86.201
bonds (distance) P-C4' energy: -131.699
flat angles C4'-P-C4' energy: -100.841
flat angles P-C4'-P energy: -71.715
tors. eta vs tors. theta energy: -35.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -939.396661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.396661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.396661 (E_RNA)
where:
Base-Base interactions energy: -508.570
where: short stacking energy: -255.495
Base-Backbone interact. energy: 0.079
local terms energy: -430.905434
where:
bonds (distance) C4'-P energy: -112.000
bonds (distance) P-C4' energy: -125.237
flat angles C4'-P-C4' energy: -107.882
flat angles P-C4'-P energy: -61.588
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -660.680624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.680624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.680624 (E_RNA)
where:
Base-Base interactions energy: -323.702
where: short stacking energy: -184.180
Base-Backbone interact. energy: 2.329
local terms energy: -339.307354
where:
bonds (distance) C4'-P energy: -85.991
bonds (distance) P-C4' energy: -112.938
flat angles C4'-P-C4' energy: -84.606
flat angles P-C4'-P energy: -59.837
tors. eta vs tors. theta energy: 4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2160.872014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.872014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.872014 (E_RNA)
where:
Base-Base interactions energy: -1501.466
where: short stacking energy: -626.352
Base-Backbone interact. energy: -0.094
local terms energy: -659.312218
where:
bonds (distance) C4'-P energy: -124.397
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -144.415
flat angles P-C4'-P energy: -95.912
tors. eta vs tors. theta energy: -170.599
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2015.713572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.713572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.713572 (E_RNA)
where:
Base-Base interactions energy: -1380.186
where: short stacking energy: -601.235
Base-Backbone interact. energy: -4.775
local terms energy: -630.752089
where:
bonds (distance) C4'-P energy: -122.211
bonds (distance) P-C4' energy: -111.232
flat angles C4'-P-C4' energy: -148.539
flat angles P-C4'-P energy: -93.474
tors. eta vs tors. theta energy: -155.296
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2003.174782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.174782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.174782 (E_RNA)
where:
Base-Base interactions energy: -1342.924
where: short stacking energy: -591.604
Base-Backbone interact. energy: -3.726
local terms energy: -656.525271
where:
bonds (distance) C4'-P energy: -132.627
bonds (distance) P-C4' energy: -126.133
flat angles C4'-P-C4' energy: -137.268
flat angles P-C4'-P energy: -88.086
tors. eta vs tors. theta energy: -172.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1769.167315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.167315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.167315 (E_RNA)
where:
Base-Base interactions energy: -1195.950
where: short stacking energy: -536.151
Base-Backbone interact. energy: -0.731
local terms energy: -572.485679
where:
bonds (distance) C4'-P energy: -117.432
bonds (distance) P-C4' energy: -123.979
flat angles C4'-P-C4' energy: -126.870
flat angles P-C4'-P energy: -74.395
tors. eta vs tors. theta energy: -129.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1665.852820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.852820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.852820 (E_RNA)
where:
Base-Base interactions energy: -1112.603
where: short stacking energy: -487.990
Base-Backbone interact. energy: -0.652
local terms energy: -552.597883
where:
bonds (distance) C4'-P energy: -108.058
bonds (distance) P-C4' energy: -121.467
flat angles C4'-P-C4' energy: -135.327
flat angles P-C4'-P energy: -68.425
tors. eta vs tors. theta energy: -119.320
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: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1478.819396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.819396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.819396 (E_RNA)
where:
Base-Base interactions energy: -951.311
where: short stacking energy: -413.533
Base-Backbone interact. energy: -2.729
local terms energy: -524.778867
where:
bonds (distance) C4'-P energy: -103.946
bonds (distance) P-C4' energy: -122.830
flat angles C4'-P-C4' energy: -129.336
flat angles P-C4'-P energy: -73.925
tors. eta vs tors. theta energy: -94.741
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: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1359.652768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.652768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.652768 (E_RNA)
where:
Base-Base interactions energy: -867.718
where: short stacking energy: -394.198
Base-Backbone interact. energy: -1.452
local terms energy: -490.482990
where:
bonds (distance) C4'-P energy: -95.347
bonds (distance) P-C4' energy: -126.300
flat angles C4'-P-C4' energy: -107.489
flat angles P-C4'-P energy: -70.131
tors. eta vs tors. theta energy: -91.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1123.225597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.225597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.225597 (E_RNA)
where:
Base-Base interactions energy: -709.869
where: short stacking energy: -340.594
Base-Backbone interact. energy: -1.976
local terms energy: -411.380979
where:
bonds (distance) C4'-P energy: -71.663
bonds (distance) P-C4' energy: -111.750
flat angles C4'-P-C4' energy: -93.623
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -62.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -920.794265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.794265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.794265 (E_RNA)
where:
Base-Base interactions energy: -489.537
where: short stacking energy: -240.617
Base-Backbone interact. energy: 3.031
local terms energy: -434.288842
where:
bonds (distance) C4'-P energy: -112.467
bonds (distance) P-C4' energy: -120.621
flat angles C4'-P-C4' energy: -103.772
flat angles P-C4'-P energy: -70.919
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -612.190390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.190390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.190390 (E_RNA)
where:
Base-Base interactions energy: -266.699
where: short stacking energy: -155.893
Base-Backbone interact. energy: -0.775
local terms energy: -344.716324
where:
bonds (distance) C4'-P energy: -99.808
bonds (distance) P-C4' energy: -122.965
flat angles C4'-P-C4' energy: -78.626
flat angles P-C4'-P energy: -61.075
tors. eta vs tors. theta energy: 17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2162.913015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.913015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.913015 (E_RNA)
where:
Base-Base interactions energy: -1482.414
where: short stacking energy: -629.814
Base-Backbone interact. energy: -0.024
local terms energy: -680.475307
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -134.376
flat angles C4'-P-C4' energy: -143.821
flat angles P-C4'-P energy: -98.920
tors. eta vs tors. theta energy: -182.222
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2000.573598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.573598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.573598 (E_RNA)
where:
Base-Base interactions energy: -1342.884
where: short stacking energy: -579.595
Base-Backbone interact. energy: -2.476
local terms energy: -655.213848
where:
bonds (distance) C4'-P energy: -112.147
bonds (distance) P-C4' energy: -129.941
flat angles C4'-P-C4' energy: -153.965
flat angles P-C4'-P energy: -100.280
tors. eta vs tors. theta energy: -158.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1953.513682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.513682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.513682 (E_RNA)
where:
Base-Base interactions energy: -1331.018
where: short stacking energy: -585.459
Base-Backbone interact. energy: -2.379
local terms energy: -620.116484
where:
bonds (distance) C4'-P energy: -115.824
bonds (distance) P-C4' energy: -109.023
flat angles C4'-P-C4' energy: -139.497
flat angles P-C4'-P energy: -95.832
tors. eta vs tors. theta energy: -159.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1799.116640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.116640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.116640 (E_RNA)
where:
Base-Base interactions energy: -1184.751
where: short stacking energy: -544.657
Base-Backbone interact. energy: -0.043
local terms energy: -614.322916
where:
bonds (distance) C4'-P energy: -125.800
bonds (distance) P-C4' energy: -126.581
flat angles C4'-P-C4' energy: -133.998
flat angles P-C4'-P energy: -88.150
tors. eta vs tors. theta energy: -139.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1683.003457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.003457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.003457 (E_RNA)
where:
Base-Base interactions energy: -1088.453
where: short stacking energy: -489.389
Base-Backbone interact. energy: -0.103
local terms energy: -594.448244
where:
bonds (distance) C4'-P energy: -124.461
bonds (distance) P-C4' energy: -126.422
flat angles C4'-P-C4' energy: -133.530
flat angles P-C4'-P energy: -84.569
tors. eta vs tors. theta energy: -125.467
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: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1474.521217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.521217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.521217 (E_RNA)
where:
Base-Base interactions energy: -942.395
where: short stacking energy: -426.964
Base-Backbone interact. energy: -2.315
local terms energy: -529.811482
where:
bonds (distance) C4'-P energy: -103.356
bonds (distance) P-C4' energy: -112.612
flat angles C4'-P-C4' energy: -125.859
flat angles P-C4'-P energy: -89.902
tors. eta vs tors. theta energy: -98.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1301.900670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.900670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.900670 (E_RNA)
where:
Base-Base interactions energy: -819.240
where: short stacking energy: -372.336
Base-Backbone interact. energy: 4.001
local terms energy: -486.661350
where:
bonds (distance) C4'-P energy: -98.179
bonds (distance) P-C4' energy: -120.559
flat angles C4'-P-C4' energy: -112.988
flat angles P-C4'-P energy: -81.557
tors. eta vs tors. theta energy: -73.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1195.959418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.959418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.959418 (E_RNA)
where:
Base-Base interactions energy: -722.550
where: short stacking energy: -353.935
Base-Backbone interact. energy: -3.793
local terms energy: -469.617017
where:
bonds (distance) C4'-P energy: -119.171
bonds (distance) P-C4' energy: -120.760
flat angles C4'-P-C4' energy: -102.410
flat angles P-C4'-P energy: -72.655
tors. eta vs tors. theta energy: -54.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -912.635588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.635588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.635588 (E_RNA)
where:
Base-Base interactions energy: -512.426
where: short stacking energy: -244.123
Base-Backbone interact. energy: 0.220
local terms energy: -400.429639
where:
bonds (distance) C4'-P energy: -86.587
bonds (distance) P-C4' energy: -124.162
flat angles C4'-P-C4' energy: -109.956
flat angles P-C4'-P energy: -57.108
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -596.683640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.683640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.683640 (E_RNA)
where:
Base-Base interactions energy: -257.111
where: short stacking energy: -155.999
Base-Backbone interact. energy: 1.030
local terms energy: -340.602317
where:
bonds (distance) C4'-P energy: -99.178
bonds (distance) P-C4' energy: -117.070
flat angles C4'-P-C4' energy: -110.384
flat angles P-C4'-P energy: -49.896
tors. eta vs tors. theta energy: 35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2164.150503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.150503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.150503 (E_RNA)
where:
Base-Base interactions energy: -1488.115
where: short stacking energy: -627.997
Base-Backbone interact. energy: -2.818
local terms energy: -673.217216
where:
bonds (distance) C4'-P energy: -124.636
bonds (distance) P-C4' energy: -140.079
flat angles C4'-P-C4' energy: -135.038
flat angles P-C4'-P energy: -96.350
tors. eta vs tors. theta energy: -177.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2016.819879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.819879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.819879 (E_RNA)
where:
Base-Base interactions energy: -1371.322
where: short stacking energy: -621.326
Base-Backbone interact. energy: -1.364
local terms energy: -644.133990
where:
bonds (distance) C4'-P energy: -122.457
bonds (distance) P-C4' energy: -125.867
flat angles C4'-P-C4' energy: -137.481
flat angles P-C4'-P energy: -93.425
tors. eta vs tors. theta energy: -164.903
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: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1948.797652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.797652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.797652 (E_RNA)
where:
Base-Base interactions energy: -1313.477
where: short stacking energy: -586.467
Base-Backbone interact. energy: 0.532
local terms energy: -635.852499
where:
bonds (distance) C4'-P energy: -128.268
bonds (distance) P-C4' energy: -122.061
flat angles C4'-P-C4' energy: -132.516
flat angles P-C4'-P energy: -94.293
tors. eta vs tors. theta energy: -158.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1844.460611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.460611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.460611 (E_RNA)
where:
Base-Base interactions energy: -1218.316
where: short stacking energy: -544.727
Base-Backbone interact. energy: -3.059
local terms energy: -623.085689
where:
bonds (distance) C4'-P energy: -111.539
bonds (distance) P-C4' energy: -131.823
flat angles C4'-P-C4' energy: -139.382
flat angles P-C4'-P energy: -91.144
tors. eta vs tors. theta energy: -149.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1660.574398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.574398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.574398 (E_RNA)
where:
Base-Base interactions energy: -1092.151
where: short stacking energy: -509.104
Base-Backbone interact. energy: 1.146
local terms energy: -569.569580
where:
bonds (distance) C4'-P energy: -122.082
bonds (distance) P-C4' energy: -115.851
flat angles C4'-P-C4' energy: -129.116
flat angles P-C4'-P energy: -83.049
tors. eta vs tors. theta energy: -119.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1471.687688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.687688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.687688 (E_RNA)
where:
Base-Base interactions energy: -966.501
where: short stacking energy: -442.898
Base-Backbone interact. energy: 0.658
local terms energy: -505.844799
where:
bonds (distance) C4'-P energy: -104.177
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -121.561
flat angles P-C4'-P energy: -74.466
tors. eta vs tors. theta energy: -87.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1295.643708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.643708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.643708 (E_RNA)
where:
Base-Base interactions energy: -786.019
where: short stacking energy: -364.558
Base-Backbone interact. energy: -3.369
local terms energy: -506.255574
where:
bonds (distance) C4'-P energy: -108.091
bonds (distance) P-C4' energy: -120.208
flat angles C4'-P-C4' energy: -119.067
flat angles P-C4'-P energy: -81.046
tors. eta vs tors. theta energy: -77.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1169.950900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.950900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.950900 (E_RNA)
where:
Base-Base interactions energy: -699.405
where: short stacking energy: -329.335
Base-Backbone interact. energy: 2.613
local terms energy: -473.158237
where:
bonds (distance) C4'-P energy: -114.052
bonds (distance) P-C4' energy: -120.253
flat angles C4'-P-C4' energy: -109.607
flat angles P-C4'-P energy: -80.593
tors. eta vs tors. theta energy: -48.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -907.067145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.067145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.067145 (E_RNA)
where:
Base-Base interactions energy: -515.166
where: short stacking energy: -265.013
Base-Backbone interact. energy: -0.413
local terms energy: -391.488849
where:
bonds (distance) C4'-P energy: -100.777
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -105.458
flat angles P-C4'-P energy: -57.940
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -591.051404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.051404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.051404 (E_RNA)
where:
Base-Base interactions energy: -265.129
where: short stacking energy: -162.951
Base-Backbone interact. energy: -0.659
local terms energy: -325.263829
where:
bonds (distance) C4'-P energy: -93.132
bonds (distance) P-C4' energy: -100.444
flat angles C4'-P-C4' energy: -96.791
flat angles P-C4'-P energy: -64.957
tors. eta vs tors. theta energy: 30.060
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2176.286994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.286994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.286994 (E_RNA)
where:
Base-Base interactions energy: -1489.979
where: short stacking energy: -636.818
Base-Backbone interact. energy: -1.624
local terms energy: -684.683584
where:
bonds (distance) C4'-P energy: -137.577
bonds (distance) P-C4' energy: -130.022
flat angles C4'-P-C4' energy: -138.039
flat angles P-C4'-P energy: -99.094
tors. eta vs tors. theta energy: -179.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2020.412248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.412248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.412248 (E_RNA)
where:
Base-Base interactions energy: -1373.778
where: short stacking energy: -604.453
Base-Backbone interact. energy: -2.841
local terms energy: -643.793579
where:
bonds (distance) C4'-P energy: -112.545
bonds (distance) P-C4' energy: -121.932
flat angles C4'-P-C4' energy: -148.072
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -173.330
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: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1948.933504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.933504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.933504 (E_RNA)
where:
Base-Base interactions energy: -1339.783
where: short stacking energy: -573.901
Base-Backbone interact. energy: -0.970
local terms energy: -608.180697
where:
bonds (distance) C4'-P energy: -104.043
bonds (distance) P-C4' energy: -119.142
flat angles C4'-P-C4' energy: -139.744
flat angles P-C4'-P energy: -96.918
tors. eta vs tors. theta energy: -148.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1819.768239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.768239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.768239 (E_RNA)
where:
Base-Base interactions energy: -1238.116
where: short stacking energy: -545.520
Base-Backbone interact. energy: -3.639
local terms energy: -578.012658
where:
bonds (distance) C4'-P energy: -117.443
bonds (distance) P-C4' energy: -109.905
flat angles C4'-P-C4' energy: -134.770
flat angles P-C4'-P energy: -77.325
tors. eta vs tors. theta energy: -138.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1618.631785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.631785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.631785 (E_RNA)
where:
Base-Base interactions energy: -1083.396
where: short stacking energy: -477.455
Base-Backbone interact. energy: -2.853
local terms energy: -532.382365
where:
bonds (distance) C4'-P energy: -122.618
bonds (distance) P-C4' energy: -118.138
flat angles C4'-P-C4' energy: -116.955
flat angles P-C4'-P energy: -78.061
tors. eta vs tors. theta energy: -96.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1532.251721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.251721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.251721 (E_RNA)
where:
Base-Base interactions energy: -1004.802
where: short stacking energy: -437.777
Base-Backbone interact. energy: -0.924
local terms energy: -526.525960
where:
bonds (distance) C4'-P energy: -98.544
bonds (distance) P-C4' energy: -113.950
flat angles C4'-P-C4' energy: -116.474
flat angles P-C4'-P energy: -87.292
tors. eta vs tors. theta energy: -110.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1253.377248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.377248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.377248 (E_RNA)
where:
Base-Base interactions energy: -801.162
where: short stacking energy: -387.015
Base-Backbone interact. energy: -3.242
local terms energy: -448.972511
where:
bonds (distance) C4'-P energy: -97.715
bonds (distance) P-C4' energy: -113.363
flat angles C4'-P-C4' energy: -100.148
flat angles P-C4'-P energy: -71.846
tors. eta vs tors. theta energy: -65.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1169.438458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.438458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.438458 (E_RNA)
where:
Base-Base interactions energy: -700.028
where: short stacking energy: -329.856
Base-Backbone interact. energy: -1.948
local terms energy: -467.462202
where:
bonds (distance) C4'-P energy: -122.956
bonds (distance) P-C4' energy: -108.334
flat angles C4'-P-C4' energy: -96.150
flat angles P-C4'-P energy: -70.869
tors. eta vs tors. theta energy: -69.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -863.068095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.068095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.068095 (E_RNA)
where:
Base-Base interactions energy: -469.500
where: short stacking energy: -240.180
Base-Backbone interact. energy: -4.754
local terms energy: -388.814405
where:
bonds (distance) C4'-P energy: -120.117
bonds (distance) P-C4' energy: -113.815
flat angles C4'-P-C4' energy: -89.456
flat angles P-C4'-P energy: -51.778
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -644.615496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.615496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.615496 (E_RNA)
where:
Base-Base interactions energy: -303.378
where: short stacking energy: -197.537
Base-Backbone interact. energy: 1.293
local terms energy: -342.531308
where:
bonds (distance) C4'-P energy: -109.665
bonds (distance) P-C4' energy: -102.507
flat angles C4'-P-C4' energy: -80.311
flat angles P-C4'-P energy: -56.362
tors. eta vs tors. theta energy: 6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2157.813177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.813177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.813177 (E_RNA)
where:
Base-Base interactions energy: -1484.053
where: short stacking energy: -642.030
Base-Backbone interact. energy: 0.137
local terms energy: -673.897960
where:
bonds (distance) C4'-P energy: -129.942
bonds (distance) P-C4' energy: -121.237
flat angles C4'-P-C4' energy: -148.577
flat angles P-C4'-P energy: -96.464
tors. eta vs tors. theta energy: -177.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2053.397471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.397471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.397471 (E_RNA)
where:
Base-Base interactions energy: -1394.210
where: short stacking energy: -582.161
Base-Backbone interact. energy: -0.169
local terms energy: -659.017844
where:
bonds (distance) C4'-P energy: -128.589
bonds (distance) P-C4' energy: -129.265
flat angles C4'-P-C4' energy: -148.622
flat angles P-C4'-P energy: -90.717
tors. eta vs tors. theta energy: -161.826
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: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1919.327248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.327248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.327248 (E_RNA)
where:
Base-Base interactions energy: -1293.875
where: short stacking energy: -560.891
Base-Backbone interact. energy: -4.204
local terms energy: -621.248348
where:
bonds (distance) C4'-P energy: -134.206
bonds (distance) P-C4' energy: -120.698
flat angles C4'-P-C4' energy: -141.240
flat angles P-C4'-P energy: -87.614
tors. eta vs tors. theta energy: -137.491
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: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1846.273575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.273575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.273575 (E_RNA)
where:
Base-Base interactions energy: -1264.347
where: short stacking energy: -579.359
Base-Backbone interact. energy: -2.303
local terms energy: -579.623919
where:
bonds (distance) C4'-P energy: -115.674
bonds (distance) P-C4' energy: -121.462
flat angles C4'-P-C4' energy: -136.720
flat angles P-C4'-P energy: -70.259
tors. eta vs tors. theta energy: -135.509
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1723.324916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.324916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.324916 (E_RNA)
where:
Base-Base interactions energy: -1189.641
where: short stacking energy: -530.216
Base-Backbone interact. energy: -1.607
local terms energy: -532.077242
where:
bonds (distance) C4'-P energy: -106.662
bonds (distance) P-C4' energy: -112.024
flat angles C4'-P-C4' energy: -116.853
flat angles P-C4'-P energy: -74.622
tors. eta vs tors. theta energy: -121.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1507.601316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.601316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.601316 (E_RNA)
where:
Base-Base interactions energy: -966.077
where: short stacking energy: -438.243
Base-Backbone interact. energy: -1.813
local terms energy: -539.711734
where:
bonds (distance) C4'-P energy: -100.920
bonds (distance) P-C4' energy: -115.277
flat angles C4'-P-C4' energy: -130.968
flat angles P-C4'-P energy: -89.427
tors. eta vs tors. theta energy: -103.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1285.311401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.311401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.311401 (E_RNA)
where:
Base-Base interactions energy: -784.775
where: short stacking energy: -382.767
Base-Backbone interact. energy: -1.285
local terms energy: -499.252035
where:
bonds (distance) C4'-P energy: -98.924
bonds (distance) P-C4' energy: -125.063
flat angles C4'-P-C4' energy: -120.283
flat angles P-C4'-P energy: -72.181
tors. eta vs tors. theta energy: -82.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1150.790085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.790085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.790085 (E_RNA)
where:
Base-Base interactions energy: -722.298
where: short stacking energy: -325.132
Base-Backbone interact. energy: -2.406
local terms energy: -426.085693
where:
bonds (distance) C4'-P energy: -107.771
bonds (distance) P-C4' energy: -115.891
flat angles C4'-P-C4' energy: -117.593
flat angles P-C4'-P energy: -51.880
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -866.946741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.946741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.946741 (E_RNA)
where:
Base-Base interactions energy: -452.803
where: short stacking energy: -246.970
Base-Backbone interact. energy: 3.614
local terms energy: -417.757224
where:
bonds (distance) C4'-P energy: -98.521
bonds (distance) P-C4' energy: -114.162
flat angles C4'-P-C4' energy: -104.769
flat angles P-C4'-P energy: -66.619
tors. eta vs tors. theta energy: -33.687
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: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -648.452820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.452820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.452820 (E_RNA)
where:
Base-Base interactions energy: -333.876
where: short stacking energy: -212.928
Base-Backbone interact. energy: 4.470
local terms energy: -319.046797
where:
bonds (distance) C4'-P energy: -103.474
bonds (distance) P-C4' energy: -101.525
flat angles C4'-P-C4' energy: -78.502
flat angles P-C4'-P energy: -58.820
tors. eta vs tors. theta energy: 23.275
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: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2175.907597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.907597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.907597 (E_RNA)
where:
Base-Base interactions energy: -1482.212
where: short stacking energy: -638.367
Base-Backbone interact. energy: -3.736
local terms energy: -689.959782
where:
bonds (distance) C4'-P energy: -117.779
bonds (distance) P-C4' energy: -147.828
flat angles C4'-P-C4' energy: -159.640
flat angles P-C4'-P energy: -94.536
tors. eta vs tors. theta energy: -170.176
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2037.432083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.432083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.432083 (E_RNA)
where:
Base-Base interactions energy: -1390.957
where: short stacking energy: -579.332
Base-Backbone interact. energy: -2.897
local terms energy: -643.577533
where:
bonds (distance) C4'-P energy: -121.333
bonds (distance) P-C4' energy: -139.436
flat angles C4'-P-C4' energy: -142.391
flat angles P-C4'-P energy: -81.279
tors. eta vs tors. theta energy: -159.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1959.159213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.159213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.159213 (E_RNA)
where:
Base-Base interactions energy: -1300.084
where: short stacking energy: -556.140
Base-Backbone interact. energy: -1.396
local terms energy: -657.679051
where:
bonds (distance) C4'-P energy: -129.973
bonds (distance) P-C4' energy: -128.726
flat angles C4'-P-C4' energy: -149.000
flat angles P-C4'-P energy: -98.029
tors. eta vs tors. theta energy: -151.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1849.168998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.168998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.168998 (E_RNA)
where:
Base-Base interactions energy: -1258.087
where: short stacking energy: -514.796
Base-Backbone interact. energy: 0.452
local terms energy: -591.534424
where:
bonds (distance) C4'-P energy: -120.409
bonds (distance) P-C4' energy: -115.068
flat angles C4'-P-C4' energy: -128.477
flat angles P-C4'-P energy: -88.800
tors. eta vs tors. theta energy: -138.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1689.916710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.916710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.916710 (E_RNA)
where:
Base-Base interactions energy: -1096.396
where: short stacking energy: -498.284
Base-Backbone interact. energy: -3.810
local terms energy: -589.710911
where:
bonds (distance) C4'-P energy: -144.366
bonds (distance) P-C4' energy: -122.992
flat angles C4'-P-C4' energy: -127.014
flat angles P-C4'-P energy: -76.990
tors. eta vs tors. theta energy: -118.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1517.092062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.092062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.092062 (E_RNA)
where:
Base-Base interactions energy: -970.137
where: short stacking energy: -414.754
Base-Backbone interact. energy: 0.488
local terms energy: -547.443332
where:
bonds (distance) C4'-P energy: -114.722
bonds (distance) P-C4' energy: -118.141
flat angles C4'-P-C4' energy: -125.486
flat angles P-C4'-P energy: -86.131
tors. eta vs tors. theta energy: -102.963
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: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1322.308533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.308533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.308533 (E_RNA)
where:
Base-Base interactions energy: -831.573
where: short stacking energy: -396.582
Base-Backbone interact. energy: 0.432
local terms energy: -491.166662
where:
bonds (distance) C4'-P energy: -107.737
bonds (distance) P-C4' energy: -119.358
flat angles C4'-P-C4' energy: -117.634
flat angles P-C4'-P energy: -65.746
tors. eta vs tors. theta energy: -80.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1059.830569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.830569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.830569 (E_RNA)
where:
Base-Base interactions energy: -592.498
where: short stacking energy: -297.031
Base-Backbone interact. energy: -3.859
local terms energy: -463.473045
where:
bonds (distance) C4'-P energy: -125.414
bonds (distance) P-C4' energy: -121.966
flat angles C4'-P-C4' energy: -111.686
flat angles P-C4'-P energy: -57.635
tors. eta vs tors. theta energy: -46.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -892.819918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.819918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.819918 (E_RNA)
where:
Base-Base interactions energy: -480.135
where: short stacking energy: -213.089
Base-Backbone interact. energy: 0.273
local terms energy: -412.957663
where:
bonds (distance) C4'-P energy: -106.908
bonds (distance) P-C4' energy: -108.149
flat angles C4'-P-C4' energy: -113.683
flat angles P-C4'-P energy: -56.847
tors. eta vs tors. theta energy: -27.371
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: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -664.543965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.543965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.543965 (E_RNA)
where:
Base-Base interactions energy: -317.757
where: short stacking energy: -181.946
Base-Backbone interact. energy: 1.889
local terms energy: -348.675482
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -120.389
flat angles C4'-P-C4' energy: -83.003
flat angles P-C4'-P energy: -54.701
tors. eta vs tors. theta energy: 4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2196.647226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.647226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.647226 (E_RNA)
where:
Base-Base interactions energy: -1504.614
where: short stacking energy: -646.089
Base-Backbone interact. energy: -2.499
local terms energy: -689.534290
where:
bonds (distance) C4'-P energy: -140.778
bonds (distance) P-C4' energy: -133.088
flat angles C4'-P-C4' energy: -151.401
flat angles P-C4'-P energy: -99.767
tors. eta vs tors. theta energy: -164.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2095.989876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.989876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.989876 (E_RNA)
where:
Base-Base interactions energy: -1449.208
where: short stacking energy: -601.782
Base-Backbone interact. energy: -4.398
local terms energy: -642.383389
where:
bonds (distance) C4'-P energy: -128.603
bonds (distance) P-C4' energy: -119.743
flat angles C4'-P-C4' energy: -143.175
flat angles P-C4'-P energy: -72.851
tors. eta vs tors. theta energy: -178.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1946.890129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.890129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.890129 (E_RNA)
where:
Base-Base interactions energy: -1321.294
where: short stacking energy: -573.748
Base-Backbone interact. energy: -2.677
local terms energy: -622.919392
where:
bonds (distance) C4'-P energy: -135.581
bonds (distance) P-C4' energy: -139.377
flat angles C4'-P-C4' energy: -121.815
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: -147.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1848.939036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.939036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.939036 (E_RNA)
where:
Base-Base interactions energy: -1276.519
where: short stacking energy: -526.123
Base-Backbone interact. energy: -3.040
local terms energy: -569.379838
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -122.651
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -136.286
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: 71
Temperature: 1.100000
Total energy: -1709.707421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.707421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.707421 (E_RNA)
where:
Base-Base interactions energy: -1127.139
where: short stacking energy: -516.876
Base-Backbone interact. energy: 0.149
local terms energy: -582.717566
where:
bonds (distance) C4'-P energy: -120.759
bonds (distance) P-C4' energy: -123.662
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -94.656
tors. eta vs tors. theta energy: -124.923
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: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1551.921369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.921369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.921369 (E_RNA)
where:
Base-Base interactions energy: -1019.627
where: short stacking energy: -447.791
Base-Backbone interact. energy: -2.902
local terms energy: -529.392970
where:
bonds (distance) C4'-P energy: -111.877
bonds (distance) P-C4' energy: -110.420
flat angles C4'-P-C4' energy: -123.190
flat angles P-C4'-P energy: -74.802
tors. eta vs tors. theta energy: -109.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1396.619620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.619620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.619620 (E_RNA)
where:
Base-Base interactions energy: -887.848
where: short stacking energy: -401.705
Base-Backbone interact. energy: 1.840
local terms energy: -510.611674
where:
bonds (distance) C4'-P energy: -121.282
bonds (distance) P-C4' energy: -113.496
flat angles C4'-P-C4' energy: -103.993
flat angles P-C4'-P energy: -82.428
tors. eta vs tors. theta energy: -89.412
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: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1036.483998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.483998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.483998 (E_RNA)
where:
Base-Base interactions energy: -621.129
where: short stacking energy: -297.030
Base-Backbone interact. energy: 1.259
local terms energy: -416.614443
where:
bonds (distance) C4'-P energy: -102.516
bonds (distance) P-C4' energy: -101.575
flat angles C4'-P-C4' energy: -113.031
flat angles P-C4'-P energy: -68.465
tors. eta vs tors. theta energy: -31.027
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: 71
Temperature: 1.300000
Total energy: -935.511554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.511554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.511554 (E_RNA)
where:
Base-Base interactions energy: -522.496
where: short stacking energy: -286.342
Base-Backbone interact. energy: -3.529
local terms energy: -409.486523
where:
bonds (distance) C4'-P energy: -105.659
bonds (distance) P-C4' energy: -120.002
flat angles C4'-P-C4' energy: -81.291
flat angles P-C4'-P energy: -67.629
tors. eta vs tors. theta energy: -34.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -668.769213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.769213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.769213 (E_RNA)
where:
Base-Base interactions energy: -314.555
where: short stacking energy: -186.722
Base-Backbone interact. energy: 1.648
local terms energy: -355.861964
where:
bonds (distance) C4'-P energy: -110.158
bonds (distance) P-C4' energy: -121.557
flat angles C4'-P-C4' energy: -75.287
flat angles P-C4'-P energy: -63.624
tors. eta vs tors. theta energy: 14.764
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: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2153.344220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.344220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.344220 (E_RNA)
where:
Base-Base interactions energy: -1465.769
where: short stacking energy: -613.946
Base-Backbone interact. energy: -3.324
local terms energy: -684.251064
where:
bonds (distance) C4'-P energy: -133.629
bonds (distance) P-C4' energy: -126.487
flat angles C4'-P-C4' energy: -144.026
flat angles P-C4'-P energy: -100.081
tors. eta vs tors. theta energy: -180.028
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: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2121.532533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.532533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.532533 (E_RNA)
where:
Base-Base interactions energy: -1484.428
where: short stacking energy: -605.707
Base-Backbone interact. energy: -6.081
local terms energy: -631.022992
where:
bonds (distance) C4'-P energy: -111.885
bonds (distance) P-C4' energy: -118.528
flat angles C4'-P-C4' energy: -136.717
flat angles P-C4'-P energy: -91.662
tors. eta vs tors. theta energy: -172.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1879.609355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.609355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.609355 (E_RNA)
where:
Base-Base interactions energy: -1271.986
where: short stacking energy: -541.601
Base-Backbone interact. energy: -3.122
local terms energy: -604.501293
where:
bonds (distance) C4'-P energy: -109.126
bonds (distance) P-C4' energy: -129.789
flat angles C4'-P-C4' energy: -135.874
flat angles P-C4'-P energy: -87.288
tors. eta vs tors. theta energy: -142.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1802.719214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.719214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.719214 (E_RNA)
where:
Base-Base interactions energy: -1254.760
where: short stacking energy: -502.953
Base-Backbone interact. energy: -3.534
local terms energy: -544.425109
where:
bonds (distance) C4'-P energy: -120.445
bonds (distance) P-C4' energy: -122.616
flat angles C4'-P-C4' energy: -127.862
flat angles P-C4'-P energy: -64.522
tors. eta vs tors. theta energy: -108.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1674.826761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.826761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.826761 (E_RNA)
where:
Base-Base interactions energy: -1112.621
where: short stacking energy: -492.699
Base-Backbone interact. energy: -0.794
local terms energy: -561.411401
where:
bonds (distance) C4'-P energy: -115.837
bonds (distance) P-C4' energy: -99.755
flat angles C4'-P-C4' energy: -134.486
flat angles P-C4'-P energy: -78.978
tors. eta vs tors. theta energy: -132.355
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: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1530.883821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.883821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.883821 (E_RNA)
where:
Base-Base interactions energy: -973.567
where: short stacking energy: -434.190
Base-Backbone interact. energy: -1.163
local terms energy: -556.154318
where:
bonds (distance) C4'-P energy: -124.244
bonds (distance) P-C4' energy: -115.080
flat angles C4'-P-C4' energy: -125.764
flat angles P-C4'-P energy: -88.201
tors. eta vs tors. theta energy: -102.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1364.051787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.051787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.051787 (E_RNA)
where:
Base-Base interactions energy: -880.814
where: short stacking energy: -414.237
Base-Backbone interact. energy: -2.251
local terms energy: -480.986356
where:
bonds (distance) C4'-P energy: -110.049
bonds (distance) P-C4' energy: -106.413
flat angles C4'-P-C4' energy: -112.327
flat angles P-C4'-P energy: -79.496
tors. eta vs tors. theta energy: -72.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1043.587246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.587246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.587246 (E_RNA)
where:
Base-Base interactions energy: -634.303
where: short stacking energy: -305.934
Base-Backbone interact. energy: -2.555
local terms energy: -406.729112
where:
bonds (distance) C4'-P energy: -107.393
bonds (distance) P-C4' energy: -100.108
flat angles C4'-P-C4' energy: -104.906
flat angles P-C4'-P energy: -55.536
tors. eta vs tors. theta energy: -38.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -923.086681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.086681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.086681 (E_RNA)
where:
Base-Base interactions energy: -508.452
where: short stacking energy: -261.086
Base-Backbone interact. energy: 1.563
local terms energy: -416.197616
where:
bonds (distance) C4'-P energy: -110.026
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -101.761
flat angles P-C4'-P energy: -58.263
tors. eta vs tors. theta energy: -30.769
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: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -699.975342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.975342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.975342 (E_RNA)
where:
Base-Base interactions energy: -351.021
where: short stacking energy: -217.600
Base-Backbone interact. energy: 4.970
local terms energy: -353.924316
where:
bonds (distance) C4'-P energy: -89.454
bonds (distance) P-C4' energy: -94.743
flat angles C4'-P-C4' energy: -101.886
flat angles P-C4'-P energy: -61.123
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2163.870586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.870586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.870586 (E_RNA)
where:
Base-Base interactions energy: -1468.248
where: short stacking energy: -617.475
Base-Backbone interact. energy: 0.583
local terms energy: -696.205553
where:
bonds (distance) C4'-P energy: -132.067
bonds (distance) P-C4' energy: -130.750
flat angles C4'-P-C4' energy: -153.133
flat angles P-C4'-P energy: -101.725
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: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2105.875590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.875590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.875590 (E_RNA)
where:
Base-Base interactions energy: -1423.521
where: short stacking energy: -595.962
Base-Backbone interact. energy: -0.441
local terms energy: -681.913813
where:
bonds (distance) C4'-P energy: -121.283
bonds (distance) P-C4' energy: -138.728
flat angles C4'-P-C4' energy: -148.520
flat angles P-C4'-P energy: -101.204
tors. eta vs tors. theta energy: -172.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1921.856360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.856360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.856360 (E_RNA)
where:
Base-Base interactions energy: -1313.002
where: short stacking energy: -565.553
Base-Backbone interact. energy: -1.540
local terms energy: -607.314875
where:
bonds (distance) C4'-P energy: -113.990
bonds (distance) P-C4' energy: -135.970
flat angles C4'-P-C4' energy: -121.389
flat angles P-C4'-P energy: -89.821
tors. eta vs tors. theta energy: -146.146
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: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1809.646526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.646526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.646526 (E_RNA)
where:
Base-Base interactions energy: -1234.986
where: short stacking energy: -538.148
Base-Backbone interact. energy: 0.191
local terms energy: -574.851699
where:
bonds (distance) C4'-P energy: -104.821
bonds (distance) P-C4' energy: -130.085
flat angles C4'-P-C4' energy: -134.124
flat angles P-C4'-P energy: -83.250
tors. eta vs tors. theta energy: -122.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1659.070432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.070432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.070432 (E_RNA)
where:
Base-Base interactions energy: -1086.709
where: short stacking energy: -477.133
Base-Backbone interact. energy: 3.374
local terms energy: -575.735621
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -121.517
flat angles C4'-P-C4' energy: -129.343
flat angles P-C4'-P energy: -85.338
tors. eta vs tors. theta energy: -134.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1566.265570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.265570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.265570 (E_RNA)
where:
Base-Base interactions energy: -1030.771
where: short stacking energy: -438.832
Base-Backbone interact. energy: -0.028
local terms energy: -535.466385
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -122.873
flat angles C4'-P-C4' energy: -116.799
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -100.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1366.485745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.485745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.485745 (E_RNA)
where:
Base-Base interactions energy: -909.390
where: short stacking energy: -409.342
Base-Backbone interact. energy: -2.323
local terms energy: -454.772821
where:
bonds (distance) C4'-P energy: -90.237
bonds (distance) P-C4' energy: -97.839
flat angles C4'-P-C4' energy: -109.901
flat angles P-C4'-P energy: -80.828
tors. eta vs tors. theta energy: -75.967
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1030.555749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.555749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.555749 (E_RNA)
where:
Base-Base interactions energy: -620.373
where: short stacking energy: -279.066
Base-Backbone interact. energy: 2.209
local terms energy: -412.391578
where:
bonds (distance) C4'-P energy: -119.027
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -111.107
flat angles P-C4'-P energy: -51.924
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -933.404288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.404288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.404288 (E_RNA)
where:
Base-Base interactions energy: -526.726
where: short stacking energy: -269.404
Base-Backbone interact. energy: -3.067
local terms energy: -403.611775
where:
bonds (distance) C4'-P energy: -93.834
bonds (distance) P-C4' energy: -108.722
flat angles C4'-P-C4' energy: -99.061
flat angles P-C4'-P energy: -63.501
tors. eta vs tors. theta energy: -38.495
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: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -740.433463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.433463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.433463 (E_RNA)
where:
Base-Base interactions energy: -369.492
where: short stacking energy: -191.246
Base-Backbone interact. energy: -0.918
local terms energy: -370.024083
where:
bonds (distance) C4'-P energy: -115.676
bonds (distance) P-C4' energy: -104.713
flat angles C4'-P-C4' energy: -108.217
flat angles P-C4'-P energy: -47.941
tors. eta vs tors. theta energy: 6.523
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: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2198.180211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.180211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.180211 (E_RNA)
where:
Base-Base interactions energy: -1490.301
where: short stacking energy: -615.356
Base-Backbone interact. energy: -3.125
local terms energy: -704.754077
where:
bonds (distance) C4'-P energy: -137.066
bonds (distance) P-C4' energy: -135.039
flat angles C4'-P-C4' energy: -147.915
flat angles P-C4'-P energy: -106.480
tors. eta vs tors. theta energy: -178.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2109.579106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.579106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.579106 (E_RNA)
where:
Base-Base interactions energy: -1427.324
where: short stacking energy: -613.618
Base-Backbone interact. energy: -4.781
local terms energy: -677.473961
where:
bonds (distance) C4'-P energy: -127.308
bonds (distance) P-C4' energy: -130.907
flat angles C4'-P-C4' energy: -147.358
flat angles P-C4'-P energy: -96.277
tors. eta vs tors. theta energy: -175.623
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: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1905.186776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.186776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.186776 (E_RNA)
where:
Base-Base interactions energy: -1284.756
where: short stacking energy: -542.434
Base-Backbone interact. energy: -2.507
local terms energy: -617.924532
where:
bonds (distance) C4'-P energy: -134.442
bonds (distance) P-C4' energy: -112.942
flat angles C4'-P-C4' energy: -146.375
flat angles P-C4'-P energy: -83.796
tors. eta vs tors. theta energy: -140.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1846.029195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.029195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.029195 (E_RNA)
where:
Base-Base interactions energy: -1278.276
where: short stacking energy: -516.958
Base-Backbone interact. energy: -3.338
local terms energy: -564.415821
where:
bonds (distance) C4'-P energy: -113.412
bonds (distance) P-C4' energy: -117.582
flat angles C4'-P-C4' energy: -133.349
flat angles P-C4'-P energy: -83.789
tors. eta vs tors. theta energy: -116.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1703.866237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.866237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.866237 (E_RNA)
where:
Base-Base interactions energy: -1101.297
where: short stacking energy: -498.595
Base-Backbone interact. energy: 1.198
local terms energy: -603.767047
where:
bonds (distance) C4'-P energy: -107.510
bonds (distance) P-C4' energy: -135.324
flat angles C4'-P-C4' energy: -127.576
flat angles P-C4'-P energy: -92.196
tors. eta vs tors. theta energy: -141.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1575.835490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.835490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.835490 (E_RNA)
where:
Base-Base interactions energy: -1018.880
where: short stacking energy: -461.962
Base-Backbone interact. energy: -1.120
local terms energy: -555.835473
where:
bonds (distance) C4'-P energy: -104.622
bonds (distance) P-C4' energy: -104.623
flat angles C4'-P-C4' energy: -141.104
flat angles P-C4'-P energy: -90.993
tors. eta vs tors. theta energy: -114.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1338.864481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.864481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.864481 (E_RNA)
where:
Base-Base interactions energy: -847.734
where: short stacking energy: -420.523
Base-Backbone interact. energy: -1.444
local terms energy: -489.687166
where:
bonds (distance) C4'-P energy: -115.037
bonds (distance) P-C4' energy: -107.852
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -66.945
tors. eta vs tors. theta energy: -90.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1017.201151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.201151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.201151 (E_RNA)
where:
Base-Base interactions energy: -603.568
where: short stacking energy: -302.786
Base-Backbone interact. energy: -3.787
local terms energy: -409.846011
where:
bonds (distance) C4'-P energy: -111.260
bonds (distance) P-C4' energy: -99.760
flat angles C4'-P-C4' energy: -101.712
flat angles P-C4'-P energy: -52.560
tors. eta vs tors. theta energy: -44.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -977.225751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.225751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.225751 (E_RNA)
where:
Base-Base interactions energy: -556.569
where: short stacking energy: -268.350
Base-Backbone interact. energy: -0.850
local terms energy: -419.807646
where:
bonds (distance) C4'-P energy: -109.684
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -108.347
flat angles P-C4'-P energy: -40.803
tors. eta vs tors. theta energy: -40.437
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -713.290641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.290641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.290641 (E_RNA)
where:
Base-Base interactions energy: -378.884
where: short stacking energy: -202.331
Base-Backbone interact. energy: 8.861
local terms energy: -343.267220
where:
bonds (distance) C4'-P energy: -93.856
bonds (distance) P-C4' energy: -113.906
flat angles C4'-P-C4' energy: -93.147
flat angles P-C4'-P energy: -44.266
tors. eta vs tors. theta energy: 1.908
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2171.856685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.856685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.856685 (E_RNA)
where:
Base-Base interactions energy: -1488.075
where: short stacking energy: -629.516
Base-Backbone interact. energy: -0.069
local terms energy: -683.712134
where:
bonds (distance) C4'-P energy: -142.262
bonds (distance) P-C4' energy: -116.707
flat angles C4'-P-C4' energy: -160.482
flat angles P-C4'-P energy: -90.944
tors. eta vs tors. theta energy: -173.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2107.460388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.460388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.460388 (E_RNA)
where:
Base-Base interactions energy: -1474.555
where: short stacking energy: -638.835
Base-Backbone interact. energy: -0.227
local terms energy: -632.678869
where:
bonds (distance) C4'-P energy: -120.378
bonds (distance) P-C4' energy: -119.341
flat angles C4'-P-C4' energy: -136.408
flat angles P-C4'-P energy: -84.365
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: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1962.512402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.512402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.512402 (E_RNA)
where:
Base-Base interactions energy: -1338.385
where: short stacking energy: -604.061
Base-Backbone interact. energy: -1.385
local terms energy: -622.742788
where:
bonds (distance) C4'-P energy: -121.162
bonds (distance) P-C4' energy: -131.241
flat angles C4'-P-C4' energy: -134.558
flat angles P-C4'-P energy: -80.966
tors. eta vs tors. theta energy: -154.816
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: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1870.253715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.253715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.253715 (E_RNA)
where:
Base-Base interactions energy: -1275.789
where: short stacking energy: -552.291
Base-Backbone interact. energy: -1.061
local terms energy: -593.404013
where:
bonds (distance) C4'-P energy: -129.876
bonds (distance) P-C4' energy: -104.667
flat angles C4'-P-C4' energy: -139.588
flat angles P-C4'-P energy: -79.704
tors. eta vs tors. theta energy: -139.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1733.732418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.732418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.732418 (E_RNA)
where:
Base-Base interactions energy: -1152.427
where: short stacking energy: -484.381
Base-Backbone interact. energy: -1.462
local terms energy: -579.843449
where:
bonds (distance) C4'-P energy: -116.828
bonds (distance) P-C4' energy: -121.244
flat angles C4'-P-C4' energy: -127.663
flat angles P-C4'-P energy: -89.675
tors. eta vs tors. theta energy: -124.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1566.625495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.625495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.625495 (E_RNA)
where:
Base-Base interactions energy: -1003.906
where: short stacking energy: -449.387
Base-Backbone interact. energy: -2.859
local terms energy: -559.860728
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -123.625
flat angles C4'-P-C4' energy: -140.594
flat angles P-C4'-P energy: -84.658
tors. eta vs tors. theta energy: -100.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1325.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.331963 (E_RNA)
where:
Base-Base interactions energy: -857.524
where: short stacking energy: -406.928
Base-Backbone interact. energy: -3.304
local terms energy: -464.503743
where:
bonds (distance) C4'-P energy: -103.590
bonds (distance) P-C4' energy: -103.256
flat angles C4'-P-C4' energy: -105.601
flat angles P-C4'-P energy: -63.771
tors. eta vs tors. theta energy: -88.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -873.264807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.264807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.264807 (E_RNA)
where:
Base-Base interactions energy: -477.209
where: short stacking energy: -283.335
Base-Backbone interact. energy: 0.634
local terms energy: -396.690051
where:
bonds (distance) C4'-P energy: -113.791
bonds (distance) P-C4' energy: -106.289
flat angles C4'-P-C4' energy: -105.498
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -831.507509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.507509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.507509 (E_RNA)
where:
Base-Base interactions energy: -443.412
where: short stacking energy: -247.233
Base-Backbone interact. energy: -4.685
local terms energy: -383.409896
where:
bonds (distance) C4'-P energy: -90.838
bonds (distance) P-C4' energy: -113.311
flat angles C4'-P-C4' energy: -113.009
flat angles P-C4'-P energy: -63.182
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -749.500446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.500446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.500446 (E_RNA)
where:
Base-Base interactions energy: -360.766
where: short stacking energy: -186.080
Base-Backbone interact. energy: -1.189
local terms energy: -387.546020
where:
bonds (distance) C4'-P energy: -110.644
bonds (distance) P-C4' energy: -104.443
flat angles C4'-P-C4' energy: -116.795
flat angles P-C4'-P energy: -71.130
tors. eta vs tors. theta energy: 15.467
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: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2156.147503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.147503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.147503 (E_RNA)
where:
Base-Base interactions energy: -1491.172
where: short stacking energy: -647.025
Base-Backbone interact. energy: -2.532
local terms energy: -662.443667
where:
bonds (distance) C4'-P energy: -127.624
bonds (distance) P-C4' energy: -136.495
flat angles C4'-P-C4' energy: -140.061
flat angles P-C4'-P energy: -89.762
tors. eta vs tors. theta energy: -168.501
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2101.112895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.112895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.112895 (E_RNA)
where:
Base-Base interactions energy: -1446.662
where: short stacking energy: -602.251
Base-Backbone interact. energy: 1.462
local terms energy: -655.913515
where:
bonds (distance) C4'-P energy: -125.385
bonds (distance) P-C4' energy: -116.290
flat angles C4'-P-C4' energy: -145.039
flat angles P-C4'-P energy: -103.864
tors. eta vs tors. theta energy: -165.336
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: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1957.400039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.400039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.400039 (E_RNA)
where:
Base-Base interactions energy: -1310.572
where: short stacking energy: -566.486
Base-Backbone interact. energy: 0.709
local terms energy: -647.536380
where:
bonds (distance) C4'-P energy: -129.566
bonds (distance) P-C4' energy: -126.504
flat angles C4'-P-C4' energy: -148.132
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -156.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1864.224398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.224398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.224398 (E_RNA)
where:
Base-Base interactions energy: -1267.077
where: short stacking energy: -514.225
Base-Backbone interact. energy: 0.018
local terms energy: -597.165045
where:
bonds (distance) C4'-P energy: -129.736
bonds (distance) P-C4' energy: -122.464
flat angles C4'-P-C4' energy: -129.633
flat angles P-C4'-P energy: -87.295
tors. eta vs tors. theta energy: -128.037
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: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1741.003949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.003949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.003949 (E_RNA)
where:
Base-Base interactions energy: -1174.769
where: short stacking energy: -497.314
Base-Backbone interact. energy: -2.586
local terms energy: -563.649013
where:
bonds (distance) C4'-P energy: -113.338
bonds (distance) P-C4' energy: -110.061
flat angles C4'-P-C4' energy: -131.198
flat angles P-C4'-P energy: -84.134
tors. eta vs tors. theta energy: -124.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1598.220022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.220022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.220022 (E_RNA)
where:
Base-Base interactions energy: -1047.736
where: short stacking energy: -502.800
Base-Backbone interact. energy: -2.380
local terms energy: -548.104622
where:
bonds (distance) C4'-P energy: -114.593
bonds (distance) P-C4' energy: -95.814
flat angles C4'-P-C4' energy: -122.619
flat angles P-C4'-P energy: -87.195
tors. eta vs tors. theta energy: -127.884
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: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1294.606835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.606835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.606835 (E_RNA)
where:
Base-Base interactions energy: -803.907
where: short stacking energy: -368.815
Base-Backbone interact. energy: -4.296
local terms energy: -486.403357
where:
bonds (distance) C4'-P energy: -115.443
bonds (distance) P-C4' energy: -112.464
flat angles C4'-P-C4' energy: -112.777
flat angles P-C4'-P energy: -72.715
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: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -943.875179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.875179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.875179 (E_RNA)
where:
Base-Base interactions energy: -538.483
where: short stacking energy: -254.834
Base-Backbone interact. energy: 4.121
local terms energy: -409.512899
where:
bonds (distance) C4'-P energy: -104.381
bonds (distance) P-C4' energy: -123.586
flat angles C4'-P-C4' energy: -92.846
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: -27.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -845.442226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.442226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.442226 (E_RNA)
where:
Base-Base interactions energy: -466.415
where: short stacking energy: -260.675
Base-Backbone interact. energy: 5.893
local terms energy: -384.919727
where:
bonds (distance) C4'-P energy: -93.629
bonds (distance) P-C4' energy: -103.125
flat angles C4'-P-C4' energy: -100.576
flat angles P-C4'-P energy: -67.372
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -764.555706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.555706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.555706 (E_RNA)
where:
Base-Base interactions energy: -383.469
where: short stacking energy: -201.575
Base-Backbone interact. energy: 0.381
local terms energy: -381.467791
where:
bonds (distance) C4'-P energy: -96.930
bonds (distance) P-C4' energy: -115.307
flat angles C4'-P-C4' energy: -82.375
flat angles P-C4'-P energy: -73.033
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2168.972401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.972401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.972401 (E_RNA)
where:
Base-Base interactions energy: -1490.712
where: short stacking energy: -616.886
Base-Backbone interact. energy: -2.639
local terms energy: -675.621338
where:
bonds (distance) C4'-P energy: -140.664
bonds (distance) P-C4' energy: -129.856
flat angles C4'-P-C4' energy: -143.008
flat angles P-C4'-P energy: -93.516
tors. eta vs tors. theta energy: -168.577
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2095.813032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.813032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.813032 (E_RNA)
where:
Base-Base interactions energy: -1463.950
where: short stacking energy: -593.262
Base-Backbone interact. energy: -4.015
local terms energy: -627.848075
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -120.150
flat angles C4'-P-C4' energy: -132.110
flat angles P-C4'-P energy: -97.933
tors. eta vs tors. theta energy: -162.845
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: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1894.657259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.657259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.657259 (E_RNA)
where:
Base-Base interactions energy: -1286.210
where: short stacking energy: -557.525
Base-Backbone interact. energy: -2.860
local terms energy: -605.587436
where:
bonds (distance) C4'-P energy: -136.852
bonds (distance) P-C4' energy: -118.663
flat angles C4'-P-C4' energy: -152.081
flat angles P-C4'-P energy: -74.216
tors. eta vs tors. theta energy: -123.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1866.669723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.669723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.669723 (E_RNA)
where:
Base-Base interactions energy: -1277.208
where: short stacking energy: -514.725
Base-Backbone interact. energy: -1.929
local terms energy: -587.532502
where:
bonds (distance) C4'-P energy: -115.167
bonds (distance) P-C4' energy: -112.580
flat angles C4'-P-C4' energy: -135.416
flat angles P-C4'-P energy: -89.730
tors. eta vs tors. theta energy: -134.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1715.510482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.510482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.510482 (E_RNA)
where:
Base-Base interactions energy: -1124.185
where: short stacking energy: -519.931
Base-Backbone interact. energy: -2.918
local terms energy: -588.408362
where:
bonds (distance) C4'-P energy: -125.817
bonds (distance) P-C4' energy: -117.140
flat angles C4'-P-C4' energy: -135.570
flat angles P-C4'-P energy: -78.901
tors. eta vs tors. theta energy: -130.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1639.919683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.919683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.919683 (E_RNA)
where:
Base-Base interactions energy: -1080.987
where: short stacking energy: -491.853
Base-Backbone interact. energy: 0.539
local terms energy: -559.471669
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -107.859
flat angles C4'-P-C4' energy: -126.426
flat angles P-C4'-P energy: -98.250
tors. eta vs tors. theta energy: -114.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1406.961992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.961992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.961992 (E_RNA)
where:
Base-Base interactions energy: -912.507
where: short stacking energy: -426.888
Base-Backbone interact. energy: -0.832
local terms energy: -493.622862
where:
bonds (distance) C4'-P energy: -117.931
bonds (distance) P-C4' energy: -108.706
flat angles C4'-P-C4' energy: -110.940
flat angles P-C4'-P energy: -74.669
tors. eta vs tors. theta energy: -81.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1017.083562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.083562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.083562 (E_RNA)
where:
Base-Base interactions energy: -592.161
where: short stacking energy: -297.267
Base-Backbone interact. energy: -0.303
local terms energy: -424.618875
where:
bonds (distance) C4'-P energy: -116.966
bonds (distance) P-C4' energy: -100.945
flat angles C4'-P-C4' energy: -100.159
flat angles P-C4'-P energy: -58.170
tors. eta vs tors. theta energy: -48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -854.670283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.670283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.670283 (E_RNA)
where:
Base-Base interactions energy: -434.351
where: short stacking energy: -222.649
Base-Backbone interact. energy: -1.388
local terms energy: -418.931971
where:
bonds (distance) C4'-P energy: -106.991
bonds (distance) P-C4' energy: -122.388
flat angles C4'-P-C4' energy: -100.318
flat angles P-C4'-P energy: -63.886
tors. eta vs tors. theta energy: -25.349
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: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -732.221359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.221359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.221359 (E_RNA)
where:
Base-Base interactions energy: -372.949
where: short stacking energy: -218.245
Base-Backbone interact. energy: 2.172
local terms energy: -361.443866
where:
bonds (distance) C4'-P energy: -87.844
bonds (distance) P-C4' energy: -122.038
flat angles C4'-P-C4' energy: -105.186
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: 4.152
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: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2126.082979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.082979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.082979 (E_RNA)
where:
Base-Base interactions energy: -1449.815
where: short stacking energy: -619.589
Base-Backbone interact. energy: 0.533
local terms energy: -676.801153
where:
bonds (distance) C4'-P energy: -116.859
bonds (distance) P-C4' energy: -136.791
flat angles C4'-P-C4' energy: -151.359
flat angles P-C4'-P energy: -94.075
tors. eta vs tors. theta energy: -177.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2107.699926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.699926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.699926 (E_RNA)
where:
Base-Base interactions energy: -1438.911
where: short stacking energy: -598.422
Base-Backbone interact. energy: -1.759
local terms energy: -667.029615
where:
bonds (distance) C4'-P energy: -122.458
bonds (distance) P-C4' energy: -135.650
flat angles C4'-P-C4' energy: -149.833
flat angles P-C4'-P energy: -92.312
tors. eta vs tors. theta energy: -166.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1937.225636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.225636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.225636 (E_RNA)
where:
Base-Base interactions energy: -1324.363
where: short stacking energy: -548.281
Base-Backbone interact. energy: 1.205
local terms energy: -614.067942
where:
bonds (distance) C4'-P energy: -120.481
bonds (distance) P-C4' energy: -124.517
flat angles C4'-P-C4' energy: -137.316
flat angles P-C4'-P energy: -84.932
tors. eta vs tors. theta energy: -146.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1790.472739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.472739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.472739 (E_RNA)
where:
Base-Base interactions energy: -1199.350
where: short stacking energy: -509.086
Base-Backbone interact. energy: -3.272
local terms energy: -587.850624
where:
bonds (distance) C4'-P energy: -135.440
bonds (distance) P-C4' energy: -115.944
flat angles C4'-P-C4' energy: -139.840
flat angles P-C4'-P energy: -63.995
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: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1722.024651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.024651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.024651 (E_RNA)
where:
Base-Base interactions energy: -1165.641
where: short stacking energy: -499.462
Base-Backbone interact. energy: -1.278
local terms energy: -555.105671
where:
bonds (distance) C4'-P energy: -130.206
bonds (distance) P-C4' energy: -107.457
flat angles C4'-P-C4' energy: -123.560
flat angles P-C4'-P energy: -71.238
tors. eta vs tors. theta energy: -122.645
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: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1656.929732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.929732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.929732 (E_RNA)
where:
Base-Base interactions energy: -1117.374
where: short stacking energy: -496.913
Base-Backbone interact. energy: -1.224
local terms energy: -538.331351
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -107.880
flat angles C4'-P-C4' energy: -119.398
flat angles P-C4'-P energy: -83.220
tors. eta vs tors. theta energy: -123.331
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: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1444.781153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.781153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.781153 (E_RNA)
where:
Base-Base interactions energy: -938.476
where: short stacking energy: -417.660
Base-Backbone interact. energy: 1.626
local terms energy: -507.931167
where:
bonds (distance) C4'-P energy: -99.346
bonds (distance) P-C4' energy: -114.233
flat angles C4'-P-C4' energy: -120.430
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -89.038
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: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1004.738570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.738570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.738570 (E_RNA)
where:
Base-Base interactions energy: -582.075
where: short stacking energy: -307.555
Base-Backbone interact. energy: -0.953
local terms energy: -421.710303
where:
bonds (distance) C4'-P energy: -116.743
bonds (distance) P-C4' energy: -100.392
flat angles C4'-P-C4' energy: -104.364
flat angles P-C4'-P energy: -76.294
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -932.835133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.835133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.835133 (E_RNA)
where:
Base-Base interactions energy: -538.043
where: short stacking energy: -271.337
Base-Backbone interact. energy: 2.760
local terms energy: -397.552645
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -109.675
flat angles C4'-P-C4' energy: -95.318
flat angles P-C4'-P energy: -55.763
tors. eta vs tors. theta energy: -34.402
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: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -671.005149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.005149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.005149 (E_RNA)
where:
Base-Base interactions energy: -320.332
where: short stacking energy: -195.579
Base-Backbone interact. energy: 4.696
local terms energy: -355.369199
where:
bonds (distance) C4'-P energy: -97.282
bonds (distance) P-C4' energy: -106.685
flat angles C4'-P-C4' energy: -101.109
flat angles P-C4'-P energy: -51.067
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2167.852862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.852862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.852862 (E_RNA)
where:
Base-Base interactions energy: -1479.574
where: short stacking energy: -619.905
Base-Backbone interact. energy: -4.630
local terms energy: -683.649162
where:
bonds (distance) C4'-P energy: -137.419
bonds (distance) P-C4' energy: -123.332
flat angles C4'-P-C4' energy: -150.640
flat angles P-C4'-P energy: -102.598
tors. eta vs tors. theta energy: -169.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2110.712547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.712547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.712547 (E_RNA)
where:
Base-Base interactions energy: -1441.522
where: short stacking energy: -615.896
Base-Backbone interact. energy: -3.411
local terms energy: -665.779483
where:
bonds (distance) C4'-P energy: -124.288
bonds (distance) P-C4' energy: -135.088
flat angles C4'-P-C4' energy: -138.813
flat angles P-C4'-P energy: -105.183
tors. eta vs tors. theta energy: -162.408
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1960.897333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.897333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.897333 (E_RNA)
where:
Base-Base interactions energy: -1330.580
where: short stacking energy: -544.147
Base-Backbone interact. energy: -1.179
local terms energy: -629.137634
where:
bonds (distance) C4'-P energy: -125.638
bonds (distance) P-C4' energy: -138.650
flat angles C4'-P-C4' energy: -142.612
flat angles P-C4'-P energy: -84.000
tors. eta vs tors. theta energy: -138.237
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: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1786.951665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.951665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.951665 (E_RNA)
where:
Base-Base interactions energy: -1188.619
where: short stacking energy: -514.070
Base-Backbone interact. energy: -4.128
local terms energy: -594.204781
where:
bonds (distance) C4'-P energy: -117.156
bonds (distance) P-C4' energy: -120.617
flat angles C4'-P-C4' energy: -128.981
flat angles P-C4'-P energy: -95.635
tors. eta vs tors. theta energy: -131.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1771.263384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.263384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.263384 (E_RNA)
where:
Base-Base interactions energy: -1179.602
where: short stacking energy: -544.632
Base-Backbone interact. energy: -3.098
local terms energy: -588.562622
where:
bonds (distance) C4'-P energy: -114.875
bonds (distance) P-C4' energy: -115.308
flat angles C4'-P-C4' energy: -122.372
flat angles P-C4'-P energy: -90.012
tors. eta vs tors. theta energy: -145.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1640.848674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.848674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.848674 (E_RNA)
where:
Base-Base interactions energy: -1078.849
where: short stacking energy: -520.183
Base-Backbone interact. energy: -0.704
local terms energy: -561.296281
where:
bonds (distance) C4'-P energy: -118.496
bonds (distance) P-C4' energy: -112.855
flat angles C4'-P-C4' energy: -118.984
flat angles P-C4'-P energy: -75.302
tors. eta vs tors. theta energy: -135.659
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: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1455.093149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.093149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.093149 (E_RNA)
where:
Base-Base interactions energy: -946.907
where: short stacking energy: -445.320
Base-Backbone interact. energy: 0.143
local terms energy: -508.329715
where:
bonds (distance) C4'-P energy: -117.204
bonds (distance) P-C4' energy: -95.822
flat angles C4'-P-C4' energy: -108.066
flat angles P-C4'-P energy: -68.887
tors. eta vs tors. theta energy: -118.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1051.619752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.619752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.619752 (E_RNA)
where:
Base-Base interactions energy: -638.822
where: short stacking energy: -304.602
Base-Backbone interact. energy: -0.901
local terms energy: -411.896935
where:
bonds (distance) C4'-P energy: -117.193
bonds (distance) P-C4' energy: -111.282
flat angles C4'-P-C4' energy: -93.206
flat angles P-C4'-P energy: -49.001
tors. eta vs tors. theta energy: -41.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -949.800869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.800869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.800869 (E_RNA)
where:
Base-Base interactions energy: -566.707
where: short stacking energy: -264.647
Base-Backbone interact. energy: 2.971
local terms energy: -386.065345
where:
bonds (distance) C4'-P energy: -106.643
bonds (distance) P-C4' energy: -97.754
flat angles C4'-P-C4' energy: -110.656
flat angles P-C4'-P energy: -53.527
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -637.968739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.968739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.968739 (E_RNA)
where:
Base-Base interactions energy: -278.878
where: short stacking energy: -153.639
Base-Backbone interact. energy: -1.889
local terms energy: -357.202064
where:
bonds (distance) C4'-P energy: -97.451
bonds (distance) P-C4' energy: -128.014
flat angles C4'-P-C4' energy: -99.952
flat angles P-C4'-P energy: -51.590
tors. eta vs tors. theta energy: 19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2187.454353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.454353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.454353 (E_RNA)
where:
Base-Base interactions energy: -1480.628
where: short stacking energy: -607.866
Base-Backbone interact. energy: -3.793
local terms energy: -703.033668
where:
bonds (distance) C4'-P energy: -141.213
bonds (distance) P-C4' energy: -139.582
flat angles C4'-P-C4' energy: -146.921
flat angles P-C4'-P energy: -104.070
tors. eta vs tors. theta energy: -171.248
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: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2093.416951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.416951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.416951 (E_RNA)
where:
Base-Base interactions energy: -1436.564
where: short stacking energy: -604.648
Base-Backbone interact. energy: -2.894
local terms energy: -653.958766
where:
bonds (distance) C4'-P energy: -122.299
bonds (distance) P-C4' energy: -129.810
flat angles C4'-P-C4' energy: -136.847
flat angles P-C4'-P energy: -91.843
tors. eta vs tors. theta energy: -173.159
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: 80
Temperature: 1.000000
Total energy: -1974.624873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.624873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.624873 (E_RNA)
where:
Base-Base interactions energy: -1366.522
where: short stacking energy: -564.425
Base-Backbone interact. energy: -2.209
local terms energy: -605.894147
where:
bonds (distance) C4'-P energy: -119.057
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -140.177
flat angles P-C4'-P energy: -90.223
tors. eta vs tors. theta energy: -144.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1819.356272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.356272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.356272 (E_RNA)
where:
Base-Base interactions energy: -1229.635
where: short stacking energy: -531.999
Base-Backbone interact. energy: -0.503
local terms energy: -589.218326
where:
bonds (distance) C4'-P energy: -106.255
bonds (distance) P-C4' energy: -120.291
flat angles C4'-P-C4' energy: -140.980
flat angles P-C4'-P energy: -79.765
tors. eta vs tors. theta energy: -141.927
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: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1762.600995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.600995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.600995 (E_RNA)
where:
Base-Base interactions energy: -1181.852
where: short stacking energy: -510.509
Base-Backbone interact. energy: 2.227
local terms energy: -582.976405
where:
bonds (distance) C4'-P energy: -128.849
bonds (distance) P-C4' energy: -109.425
flat angles C4'-P-C4' energy: -129.159
flat angles P-C4'-P energy: -87.849
tors. eta vs tors. theta energy: -127.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1628.999627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.999627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.999627 (E_RNA)
where:
Base-Base interactions energy: -1118.897
where: short stacking energy: -484.676
Base-Backbone interact. energy: -2.558
local terms energy: -507.544241
where:
bonds (distance) C4'-P energy: -98.622
bonds (distance) P-C4' energy: -113.145
flat angles C4'-P-C4' energy: -118.092
flat angles P-C4'-P energy: -64.062
tors. eta vs tors. theta energy: -113.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1410.836572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.836572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.836572 (E_RNA)
where:
Base-Base interactions energy: -920.767
where: short stacking energy: -420.417
Base-Backbone interact. energy: -1.405
local terms energy: -488.663905
where:
bonds (distance) C4'-P energy: -95.521
bonds (distance) P-C4' energy: -113.832
flat angles C4'-P-C4' energy: -115.316
flat angles P-C4'-P energy: -73.362
tors. eta vs tors. theta energy: -90.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1037.061504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.061504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.061504 (E_RNA)
where:
Base-Base interactions energy: -620.020
where: short stacking energy: -303.205
Base-Backbone interact. energy: -0.099
local terms energy: -416.942377
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -97.202
flat angles C4'-P-C4' energy: -105.636
flat angles P-C4'-P energy: -65.928
tors. eta vs tors. theta energy: -46.795
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: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -930.166915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.166915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.166915 (E_RNA)
where:
Base-Base interactions energy: -523.390
where: short stacking energy: -270.013
Base-Backbone interact. energy: 3.609
local terms energy: -410.386124
where:
bonds (distance) C4'-P energy: -105.224
bonds (distance) P-C4' energy: -117.273
flat angles C4'-P-C4' energy: -100.982
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -43.141
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: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -624.559184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.559184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.559184 (E_RNA)
where:
Base-Base interactions energy: -276.259
where: short stacking energy: -182.271
Base-Backbone interact. energy: -1.028
local terms energy: -347.271942
where:
bonds (distance) C4'-P energy: -113.462
bonds (distance) P-C4' energy: -107.328
flat angles C4'-P-C4' energy: -92.960
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: 1.353
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: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2189.403940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.403940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.403940 (E_RNA)
where:
Base-Base interactions energy: -1511.657
where: short stacking energy: -638.837
Base-Backbone interact. energy: 0.933
local terms energy: -678.679314
where:
bonds (distance) C4'-P energy: -134.636
bonds (distance) P-C4' energy: -128.848
flat angles C4'-P-C4' energy: -150.053
flat angles P-C4'-P energy: -89.828
tors. eta vs tors. theta energy: -175.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2126.767727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.767727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.767727 (E_RNA)
where:
Base-Base interactions energy: -1443.428
where: short stacking energy: -603.635
Base-Backbone interact. energy: -0.721
local terms energy: -682.618701
where:
bonds (distance) C4'-P energy: -138.218
bonds (distance) P-C4' energy: -133.343
flat angles C4'-P-C4' energy: -145.291
flat angles P-C4'-P energy: -92.956
tors. eta vs tors. theta energy: -172.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1970.691156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.691156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.691156 (E_RNA)
where:
Base-Base interactions energy: -1343.667
where: short stacking energy: -566.507
Base-Backbone interact. energy: -0.767
local terms energy: -626.257697
where:
bonds (distance) C4'-P energy: -122.481
bonds (distance) P-C4' energy: -126.732
flat angles C4'-P-C4' energy: -136.414
flat angles P-C4'-P energy: -88.232
tors. eta vs tors. theta energy: -152.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1859.890250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.890250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.890250 (E_RNA)
where:
Base-Base interactions energy: -1286.927
where: short stacking energy: -500.911
Base-Backbone interact. energy: -1.537
local terms energy: -571.426162
where:
bonds (distance) C4'-P energy: -118.801
bonds (distance) P-C4' energy: -115.164
flat angles C4'-P-C4' energy: -125.344
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -132.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1772.585415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.585415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.585415 (E_RNA)
where:
Base-Base interactions energy: -1205.795
where: short stacking energy: -524.637
Base-Backbone interact. energy: 0.967
local terms energy: -567.757588
where:
bonds (distance) C4'-P energy: -108.857
bonds (distance) P-C4' energy: -131.252
flat angles C4'-P-C4' energy: -121.294
flat angles P-C4'-P energy: -64.667
tors. eta vs tors. theta energy: -141.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1560.432333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.432333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.432333 (E_RNA)
where:
Base-Base interactions energy: -1049.113
where: short stacking energy: -488.992
Base-Backbone interact. energy: -2.456
local terms energy: -508.863224
where:
bonds (distance) C4'-P energy: -109.188
bonds (distance) P-C4' energy: -111.780
flat angles C4'-P-C4' energy: -120.248
flat angles P-C4'-P energy: -67.480
tors. eta vs tors. theta energy: -100.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1402.879586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.879586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.879586 (E_RNA)
where:
Base-Base interactions energy: -910.886
where: short stacking energy: -391.770
Base-Backbone interact. energy: 0.334
local terms energy: -492.327227
where:
bonds (distance) C4'-P energy: -93.759
bonds (distance) P-C4' energy: -116.820
flat angles C4'-P-C4' energy: -124.852
flat angles P-C4'-P energy: -68.455
tors. eta vs tors. theta energy: -88.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -983.077875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.077875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.077875 (E_RNA)
where:
Base-Base interactions energy: -529.606
where: short stacking energy: -249.818
Base-Backbone interact. energy: -4.809
local terms energy: -448.662503
where:
bonds (distance) C4'-P energy: -123.760
bonds (distance) P-C4' energy: -115.058
flat angles C4'-P-C4' energy: -120.821
flat angles P-C4'-P energy: -61.527
tors. eta vs tors. theta energy: -27.496
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: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -925.912334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.912334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.912334 (E_RNA)
where:
Base-Base interactions energy: -510.071
where: short stacking energy: -241.618
Base-Backbone interact. energy: -1.030
local terms energy: -414.811379
where:
bonds (distance) C4'-P energy: -122.434
bonds (distance) P-C4' energy: -103.405
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -66.036
tors. eta vs tors. theta energy: -27.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -605.295268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.295268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.295268 (E_RNA)
where:
Base-Base interactions energy: -260.658
where: short stacking energy: -144.744
Base-Backbone interact. energy: -0.760
local terms energy: -343.877125
where:
bonds (distance) C4'-P energy: -109.335
bonds (distance) P-C4' energy: -111.966
flat angles C4'-P-C4' energy: -93.969
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: 7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2196.719534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.719534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.719534 (E_RNA)
where:
Base-Base interactions energy: -1524.255
where: short stacking energy: -646.544
Base-Backbone interact. energy: -2.819
local terms energy: -669.645368
where:
bonds (distance) C4'-P energy: -123.096
bonds (distance) P-C4' energy: -139.019
flat angles C4'-P-C4' energy: -151.724
flat angles P-C4'-P energy: -86.777
tors. eta vs tors. theta energy: -169.029
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: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2112.608069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.608069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.608069 (E_RNA)
where:
Base-Base interactions energy: -1440.039
where: short stacking energy: -625.528
Base-Backbone interact. energy: -3.229
local terms energy: -669.340372
where:
bonds (distance) C4'-P energy: -134.926
bonds (distance) P-C4' energy: -126.600
flat angles C4'-P-C4' energy: -143.074
flat angles P-C4'-P energy: -90.890
tors. eta vs tors. theta energy: -173.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1935.884417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.884417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.884417 (E_RNA)
where:
Base-Base interactions energy: -1297.288
where: short stacking energy: -553.487
Base-Backbone interact. energy: -1.915
local terms energy: -636.681725
where:
bonds (distance) C4'-P energy: -129.300
bonds (distance) P-C4' energy: -128.136
flat angles C4'-P-C4' energy: -136.459
flat angles P-C4'-P energy: -89.277
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: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1845.138014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.138014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.138014 (E_RNA)
where:
Base-Base interactions energy: -1266.694
where: short stacking energy: -539.643
Base-Backbone interact. energy: -1.752
local terms energy: -576.692009
where:
bonds (distance) C4'-P energy: -104.864
bonds (distance) P-C4' energy: -128.174
flat angles C4'-P-C4' energy: -129.727
flat angles P-C4'-P energy: -80.353
tors. eta vs tors. theta energy: -133.574
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: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1714.779283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.779283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.779283 (E_RNA)
where:
Base-Base interactions energy: -1135.555
where: short stacking energy: -484.622
Base-Backbone interact. energy: -0.218
local terms energy: -579.005522
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -118.278
flat angles C4'-P-C4' energy: -134.711
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -126.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1619.847570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.847570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.847570 (E_RNA)
where:
Base-Base interactions energy: -1057.053
where: short stacking energy: -481.679
Base-Backbone interact. energy: -1.496
local terms energy: -561.297859
where:
bonds (distance) C4'-P energy: -112.855
bonds (distance) P-C4' energy: -111.107
flat angles C4'-P-C4' energy: -134.720
flat angles P-C4'-P energy: -83.586
tors. eta vs tors. theta energy: -119.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1400.625927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.625927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.625927 (E_RNA)
where:
Base-Base interactions energy: -908.403
where: short stacking energy: -416.487
Base-Backbone interact. energy: 3.048
local terms energy: -495.270685
where:
bonds (distance) C4'-P energy: -108.392
bonds (distance) P-C4' energy: -111.341
flat angles C4'-P-C4' energy: -116.639
flat angles P-C4'-P energy: -68.569
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: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1013.372731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.372731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.372731 (E_RNA)
where:
Base-Base interactions energy: -608.607
where: short stacking energy: -333.814
Base-Backbone interact. energy: 0.909
local terms energy: -405.674879
where:
bonds (distance) C4'-P energy: -105.269
bonds (distance) P-C4' energy: -98.456
flat angles C4'-P-C4' energy: -106.026
flat angles P-C4'-P energy: -42.666
tors. eta vs tors. theta energy: -53.258
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: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -869.665084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.665084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.665084 (E_RNA)
where:
Base-Base interactions energy: -502.154
where: short stacking energy: -244.202
Base-Backbone interact. energy: -0.719
local terms energy: -366.791685
where:
bonds (distance) C4'-P energy: -100.057
bonds (distance) P-C4' energy: -104.162
flat angles C4'-P-C4' energy: -94.623
flat angles P-C4'-P energy: -56.397
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -671.057919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.057919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.057919 (E_RNA)
where:
Base-Base interactions energy: -319.445
where: short stacking energy: -189.578
Base-Backbone interact. energy: -1.835
local terms energy: -349.777592
where:
bonds (distance) C4'-P energy: -87.665
bonds (distance) P-C4' energy: -109.127
flat angles C4'-P-C4' energy: -115.049
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: 9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2208.884907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.884907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.884907 (E_RNA)
where:
Base-Base interactions energy: -1534.771
where: short stacking energy: -642.296
Base-Backbone interact. energy: -0.616
local terms energy: -673.497836
where:
bonds (distance) C4'-P energy: -136.605
bonds (distance) P-C4' energy: -130.312
flat angles C4'-P-C4' energy: -150.011
flat angles P-C4'-P energy: -91.378
tors. eta vs tors. theta energy: -165.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2113.655692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.655692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.655692 (E_RNA)
where:
Base-Base interactions energy: -1433.626
where: short stacking energy: -611.931
Base-Backbone interact. energy: -6.237
local terms energy: -673.792867
where:
bonds (distance) C4'-P energy: -126.185
bonds (distance) P-C4' energy: -140.676
flat angles C4'-P-C4' energy: -140.656
flat angles P-C4'-P energy: -85.889
tors. eta vs tors. theta energy: -180.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1929.023721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.023721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.023721 (E_RNA)
where:
Base-Base interactions energy: -1301.894
where: short stacking energy: -548.554
Base-Backbone interact. energy: -0.640
local terms energy: -626.489778
where:
bonds (distance) C4'-P energy: -120.810
bonds (distance) P-C4' energy: -115.939
flat angles C4'-P-C4' energy: -144.972
flat angles P-C4'-P energy: -92.353
tors. eta vs tors. theta energy: -152.416
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: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1937.391610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.391610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.391610 (E_RNA)
where:
Base-Base interactions energy: -1326.229
where: short stacking energy: -566.376
Base-Backbone interact. energy: -3.391
local terms energy: -607.771840
where:
bonds (distance) C4'-P energy: -110.489
bonds (distance) P-C4' energy: -138.235
flat angles C4'-P-C4' energy: -144.632
flat angles P-C4'-P energy: -62.550
tors. eta vs tors. theta energy: -151.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1742.494451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.494451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.494451 (E_RNA)
where:
Base-Base interactions energy: -1149.541
where: short stacking energy: -496.188
Base-Backbone interact. energy: 3.456
local terms energy: -596.409368
where:
bonds (distance) C4'-P energy: -129.703
bonds (distance) P-C4' energy: -111.228
flat angles C4'-P-C4' energy: -144.485
flat angles P-C4'-P energy: -86.221
tors. eta vs tors. theta energy: -124.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1583.676276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.676276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.676276 (E_RNA)
where:
Base-Base interactions energy: -1052.314
where: short stacking energy: -489.662
Base-Backbone interact. energy: -3.053
local terms energy: -528.309299
where:
bonds (distance) C4'-P energy: -106.977
bonds (distance) P-C4' energy: -126.337
flat angles C4'-P-C4' energy: -107.858
flat angles P-C4'-P energy: -84.604
tors. eta vs tors. theta energy: -102.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1418.491704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.491704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.491704 (E_RNA)
where:
Base-Base interactions energy: -933.268
where: short stacking energy: -441.130
Base-Backbone interact. energy: -1.833
local terms energy: -483.391338
where:
bonds (distance) C4'-P energy: -85.193
bonds (distance) P-C4' energy: -120.074
flat angles C4'-P-C4' energy: -108.765
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -82.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1059.404772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.404772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.404772 (E_RNA)
where:
Base-Base interactions energy: -618.189
where: short stacking energy: -304.995
Base-Backbone interact. energy: -1.877
local terms energy: -439.338770
where:
bonds (distance) C4'-P energy: -114.579
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -57.030
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: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -846.618482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.618482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.618482 (E_RNA)
where:
Base-Base interactions energy: -463.255
where: short stacking energy: -237.783
Base-Backbone interact. energy: 2.038
local terms energy: -385.401083
where:
bonds (distance) C4'-P energy: -110.804
bonds (distance) P-C4' energy: -95.426
flat angles C4'-P-C4' energy: -106.511
flat angles P-C4'-P energy: -66.070
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -690.676312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.676312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.676312 (E_RNA)
where:
Base-Base interactions energy: -336.371
where: short stacking energy: -190.912
Base-Backbone interact. energy: -3.678
local terms energy: -350.627295
where:
bonds (distance) C4'-P energy: -107.873
bonds (distance) P-C4' energy: -96.386
flat angles C4'-P-C4' energy: -98.128
flat angles P-C4'-P energy: -54.128
tors. eta vs tors. theta energy: 5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2236.414793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.414793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.414793 (E_RNA)
where:
Base-Base interactions energy: -1546.631
where: short stacking energy: -670.768
Base-Backbone interact. energy: 2.529
local terms energy: -692.312919
where:
bonds (distance) C4'-P energy: -139.880
bonds (distance) P-C4' energy: -124.167
flat angles C4'-P-C4' energy: -140.277
flat angles P-C4'-P energy: -98.753
tors. eta vs tors. theta energy: -189.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2102.572233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.572233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.572233 (E_RNA)
where:
Base-Base interactions energy: -1440.042
where: short stacking energy: -634.831
Base-Backbone interact. energy: -2.211
local terms energy: -660.319130
where:
bonds (distance) C4'-P energy: -123.345
bonds (distance) P-C4' energy: -124.965
flat angles C4'-P-C4' energy: -141.475
flat angles P-C4'-P energy: -95.782
tors. eta vs tors. theta energy: -174.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1972.365941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.365941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.365941 (E_RNA)
where:
Base-Base interactions energy: -1320.255
where: short stacking energy: -586.189
Base-Backbone interact. energy: -2.671
local terms energy: -649.440098
where:
bonds (distance) C4'-P energy: -126.760
bonds (distance) P-C4' energy: -132.244
flat angles C4'-P-C4' energy: -144.324
flat angles P-C4'-P energy: -92.698
tors. eta vs tors. theta energy: -153.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1860.432692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.432692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.432692 (E_RNA)
where:
Base-Base interactions energy: -1265.260
where: short stacking energy: -547.176
Base-Backbone interact. energy: -2.956
local terms energy: -592.216320
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -134.128
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -80.624
tors. eta vs tors. theta energy: -137.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1719.136968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.136968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.136968 (E_RNA)
where:
Base-Base interactions energy: -1132.191
where: short stacking energy: -516.926
Base-Backbone interact. energy: -1.302
local terms energy: -585.644548
where:
bonds (distance) C4'-P energy: -120.264
bonds (distance) P-C4' energy: -123.213
flat angles C4'-P-C4' energy: -137.854
flat angles P-C4'-P energy: -72.040
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: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1487.719059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.719059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.719059 (E_RNA)
where:
Base-Base interactions energy: -950.520
where: short stacking energy: -445.803
Base-Backbone interact. energy: -2.844
local terms energy: -534.355266
where:
bonds (distance) C4'-P energy: -115.107
bonds (distance) P-C4' energy: -110.018
flat angles C4'-P-C4' energy: -126.920
flat angles P-C4'-P energy: -73.668
tors. eta vs tors. theta energy: -108.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1455.898125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.898125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.898125 (E_RNA)
where:
Base-Base interactions energy: -981.878
where: short stacking energy: -450.879
Base-Backbone interact. energy: -0.149
local terms energy: -473.871513
where:
bonds (distance) C4'-P energy: -96.477
bonds (distance) P-C4' energy: -115.786
flat angles C4'-P-C4' energy: -111.779
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -86.880
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: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1025.568930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.568930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.568930 (E_RNA)
where:
Base-Base interactions energy: -601.619
where: short stacking energy: -296.932
Base-Backbone interact. energy: 2.470
local terms energy: -426.420333
where:
bonds (distance) C4'-P energy: -112.872
bonds (distance) P-C4' energy: -120.798
flat angles C4'-P-C4' energy: -98.613
flat angles P-C4'-P energy: -63.275
tors. eta vs tors. theta energy: -30.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -835.494552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.494552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.494552 (E_RNA)
where:
Base-Base interactions energy: -486.142
where: short stacking energy: -238.532
Base-Backbone interact. energy: 1.931
local terms energy: -351.283340
where:
bonds (distance) C4'-P energy: -93.492
bonds (distance) P-C4' energy: -117.809
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -40.360
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -672.380783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.380783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.380783 (E_RNA)
where:
Base-Base interactions energy: -313.246
where: short stacking energy: -196.890
Base-Backbone interact. energy: -1.187
local terms energy: -357.948562
where:
bonds (distance) C4'-P energy: -99.829
bonds (distance) P-C4' energy: -121.676
flat angles C4'-P-C4' energy: -100.837
flat angles P-C4'-P energy: -50.882
tors. eta vs tors. theta energy: 15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2248.211484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.211484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.211484 (E_RNA)
where:
Base-Base interactions energy: -1529.084
where: short stacking energy: -638.811
Base-Backbone interact. energy: -2.721
local terms energy: -716.406464
where:
bonds (distance) C4'-P energy: -131.312
bonds (distance) P-C4' energy: -142.810
flat angles C4'-P-C4' energy: -157.938
flat angles P-C4'-P energy: -101.430
tors. eta vs tors. theta energy: -182.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2121.816785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.816785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.816785 (E_RNA)
where:
Base-Base interactions energy: -1435.963
where: short stacking energy: -593.498
Base-Backbone interact. energy: -3.303
local terms energy: -682.550896
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -139.813
flat angles C4'-P-C4' energy: -144.719
flat angles P-C4'-P energy: -104.004
tors. eta vs tors. theta energy: -175.378
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: 85
Temperature: 1.000000
Total energy: -1983.402533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.402533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.402533 (E_RNA)
where:
Base-Base interactions energy: -1362.748
where: short stacking energy: -553.552
Base-Backbone interact. energy: -3.109
local terms energy: -617.545966
where:
bonds (distance) C4'-P energy: -127.950
bonds (distance) P-C4' energy: -122.468
flat angles C4'-P-C4' energy: -138.037
flat angles P-C4'-P energy: -83.714
tors. eta vs tors. theta energy: -145.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1840.173078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.173078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.173078 (E_RNA)
where:
Base-Base interactions energy: -1242.718
where: short stacking energy: -530.752
Base-Backbone interact. energy: 0.712
local terms energy: -598.167398
where:
bonds (distance) C4'-P energy: -110.952
bonds (distance) P-C4' energy: -130.041
flat angles C4'-P-C4' energy: -136.436
flat angles P-C4'-P energy: -87.954
tors. eta vs tors. theta energy: -132.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1744.804547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.804547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.804547 (E_RNA)
where:
Base-Base interactions energy: -1159.040
where: short stacking energy: -523.522
Base-Backbone interact. energy: -1.424
local terms energy: -584.341255
where:
bonds (distance) C4'-P energy: -107.259
bonds (distance) P-C4' energy: -125.981
flat angles C4'-P-C4' energy: -130.110
flat angles P-C4'-P energy: -87.919
tors. eta vs tors. theta energy: -133.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1473.215725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.215725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.215725 (E_RNA)
where:
Base-Base interactions energy: -911.584
where: short stacking energy: -410.232
Base-Backbone interact. energy: -3.212
local terms energy: -558.419883
where:
bonds (distance) C4'-P energy: -112.048
bonds (distance) P-C4' energy: -130.283
flat angles C4'-P-C4' energy: -129.871
flat angles P-C4'-P energy: -88.940
tors. eta vs tors. theta energy: -97.277
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: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1451.959550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.959550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.959550 (E_RNA)
where:
Base-Base interactions energy: -914.440
where: short stacking energy: -432.656
Base-Backbone interact. energy: -1.632
local terms energy: -535.887566
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -124.308
flat angles C4'-P-C4' energy: -115.202
flat angles P-C4'-P energy: -66.643
tors. eta vs tors. theta energy: -108.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1139.464692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.464692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.464692 (E_RNA)
where:
Base-Base interactions energy: -683.207
where: short stacking energy: -334.880
Base-Backbone interact. energy: 3.172
local terms energy: -459.430056
where:
bonds (distance) C4'-P energy: -105.075
bonds (distance) P-C4' energy: -111.135
flat angles C4'-P-C4' energy: -107.119
flat angles P-C4'-P energy: -73.830
tors. eta vs tors. theta energy: -62.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -834.322050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.322050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.322050 (E_RNA)
where:
Base-Base interactions energy: -467.492
where: short stacking energy: -237.223
Base-Backbone interact. energy: -0.376
local terms energy: -366.454286
where:
bonds (distance) C4'-P energy: -86.395
bonds (distance) P-C4' energy: -118.361
flat angles C4'-P-C4' energy: -91.911
flat angles P-C4'-P energy: -65.869
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -679.266173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.266173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.266173 (E_RNA)
where:
Base-Base interactions energy: -349.491
where: short stacking energy: -201.845
Base-Backbone interact. energy: -4.066
local terms energy: -325.709397
where:
bonds (distance) C4'-P energy: -88.878
bonds (distance) P-C4' energy: -93.671
flat angles C4'-P-C4' energy: -93.553
flat angles P-C4'-P energy: -56.336
tors. eta vs tors. theta energy: 6.730
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: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2235.614581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.614581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.614581 (E_RNA)
where:
Base-Base interactions energy: -1555.099
where: short stacking energy: -657.472
Base-Backbone interact. energy: 6.358
local terms energy: -686.873511
where:
bonds (distance) C4'-P energy: -138.540
bonds (distance) P-C4' energy: -137.096
flat angles C4'-P-C4' energy: -134.578
flat angles P-C4'-P energy: -100.969
tors. eta vs tors. theta energy: -175.691
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: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2110.658107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.658107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.658107 (E_RNA)
where:
Base-Base interactions energy: -1423.681
where: short stacking energy: -613.328
Base-Backbone interact. energy: -2.855
local terms energy: -684.121977
where:
bonds (distance) C4'-P energy: -124.683
bonds (distance) P-C4' energy: -129.342
flat angles C4'-P-C4' energy: -154.440
flat angles P-C4'-P energy: -100.343
tors. eta vs tors. theta energy: -175.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2007.529222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.529222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.529222 (E_RNA)
where:
Base-Base interactions energy: -1355.735
where: short stacking energy: -594.617
Base-Backbone interact. energy: -0.052
local terms energy: -651.741457
where:
bonds (distance) C4'-P energy: -123.606
bonds (distance) P-C4' energy: -133.078
flat angles C4'-P-C4' energy: -153.810
flat angles P-C4'-P energy: -79.720
tors. eta vs tors. theta energy: -161.527
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: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1838.699905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.699905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.699905 (E_RNA)
where:
Base-Base interactions energy: -1257.372
where: short stacking energy: -555.473
Base-Backbone interact. energy: -1.224
local terms energy: -580.103855
where:
bonds (distance) C4'-P energy: -105.592
bonds (distance) P-C4' energy: -117.051
flat angles C4'-P-C4' energy: -132.342
flat angles P-C4'-P energy: -80.906
tors. eta vs tors. theta energy: -144.212
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: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1749.003260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.003260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.003260 (E_RNA)
where:
Base-Base interactions energy: -1174.486
where: short stacking energy: -509.650
Base-Backbone interact. energy: 5.201
local terms energy: -579.718242
where:
bonds (distance) C4'-P energy: -113.979
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -133.477
flat angles P-C4'-P energy: -94.127
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: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1467.132236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.132236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.132236 (E_RNA)
where:
Base-Base interactions energy: -943.978
where: short stacking energy: -435.294
Base-Backbone interact. energy: 2.398
local terms energy: -525.553115
where:
bonds (distance) C4'-P energy: -117.042
bonds (distance) P-C4' energy: -114.073
flat angles C4'-P-C4' energy: -119.481
flat angles P-C4'-P energy: -88.246
tors. eta vs tors. theta energy: -86.711
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1474.414473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.414473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.414473 (E_RNA)
where:
Base-Base interactions energy: -982.342
where: short stacking energy: -442.615
Base-Backbone interact. energy: 0.124
local terms energy: -492.196677
where:
bonds (distance) C4'-P energy: -109.288
bonds (distance) P-C4' energy: -109.895
flat angles C4'-P-C4' energy: -117.763
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -102.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1138.179704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.179704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.179704 (E_RNA)
where:
Base-Base interactions energy: -665.040
where: short stacking energy: -305.331
Base-Backbone interact. energy: -0.082
local terms energy: -473.057663
where:
bonds (distance) C4'-P energy: -108.232
bonds (distance) P-C4' energy: -139.641
flat angles C4'-P-C4' energy: -111.462
flat angles P-C4'-P energy: -60.571
tors. eta vs tors. theta energy: -53.151
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: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -830.067906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.067906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.067906 (E_RNA)
where:
Base-Base interactions energy: -499.882
where: short stacking energy: -224.188
Base-Backbone interact. energy: -0.820
local terms energy: -329.365878
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -105.732
flat angles C4'-P-C4' energy: -94.712
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -2.743
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: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -726.072407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.072407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.072407 (E_RNA)
where:
Base-Base interactions energy: -372.694
where: short stacking energy: -182.183
Base-Backbone interact. energy: 2.958
local terms energy: -356.336225
where:
bonds (distance) C4'-P energy: -93.443
bonds (distance) P-C4' energy: -100.045
flat angles C4'-P-C4' energy: -104.630
flat angles P-C4'-P energy: -60.959
tors. eta vs tors. theta energy: 2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2244.760042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.760042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.760042 (E_RNA)
where:
Base-Base interactions energy: -1541.318
where: short stacking energy: -628.430
Base-Backbone interact. energy: -2.538
local terms energy: -700.903874
where:
bonds (distance) C4'-P energy: -137.757
bonds (distance) P-C4' energy: -133.509
flat angles C4'-P-C4' energy: -150.497
flat angles P-C4'-P energy: -100.743
tors. eta vs tors. theta energy: -178.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2088.891007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.891007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.891007 (E_RNA)
where:
Base-Base interactions energy: -1440.583
where: short stacking energy: -619.212
Base-Backbone interact. energy: -0.590
local terms energy: -647.718148
where:
bonds (distance) C4'-P energy: -118.408
bonds (distance) P-C4' energy: -123.931
flat angles C4'-P-C4' energy: -141.485
flat angles P-C4'-P energy: -91.507
tors. eta vs tors. theta energy: -172.386
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: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1962.964648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.964648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.964648 (E_RNA)
where:
Base-Base interactions energy: -1347.059
where: short stacking energy: -577.755
Base-Backbone interact. energy: -4.080
local terms energy: -611.825619
where:
bonds (distance) C4'-P energy: -109.444
bonds (distance) P-C4' energy: -134.906
flat angles C4'-P-C4' energy: -139.252
flat angles P-C4'-P energy: -71.622
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: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1836.834276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.834276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.834276 (E_RNA)
where:
Base-Base interactions energy: -1230.977
where: short stacking energy: -492.340
Base-Backbone interact. energy: -4.045
local terms energy: -601.812497
where:
bonds (distance) C4'-P energy: -117.167
bonds (distance) P-C4' energy: -134.068
flat angles C4'-P-C4' energy: -135.132
flat angles P-C4'-P energy: -84.536
tors. eta vs tors. theta energy: -130.909
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: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1701.961454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.961454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.961454 (E_RNA)
where:
Base-Base interactions energy: -1139.344
where: short stacking energy: -504.734
Base-Backbone interact. energy: 4.751
local terms energy: -567.368456
where:
bonds (distance) C4'-P energy: -109.293
bonds (distance) P-C4' energy: -119.005
flat angles C4'-P-C4' energy: -127.615
flat angles P-C4'-P energy: -82.846
tors. eta vs tors. theta energy: -128.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1535.750374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.750374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.750374 (E_RNA)
where:
Base-Base interactions energy: -980.488
where: short stacking energy: -456.058
Base-Backbone interact. energy: -2.390
local terms energy: -552.872246
where:
bonds (distance) C4'-P energy: -114.925
bonds (distance) P-C4' energy: -127.027
flat angles C4'-P-C4' energy: -122.990
flat angles P-C4'-P energy: -81.476
tors. eta vs tors. theta energy: -106.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1391.836899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.836899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.836899 (E_RNA)
where:
Base-Base interactions energy: -904.098
where: short stacking energy: -418.058
Base-Backbone interact. energy: 1.611
local terms energy: -489.350163
where:
bonds (distance) C4'-P energy: -108.253
bonds (distance) P-C4' energy: -107.691
flat angles C4'-P-C4' energy: -116.015
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -84.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1076.368009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.368009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.368009 (E_RNA)
where:
Base-Base interactions energy: -635.010
where: short stacking energy: -310.701
Base-Backbone interact. energy: 0.689
local terms energy: -442.047063
where:
bonds (distance) C4'-P energy: -111.487
bonds (distance) P-C4' energy: -111.803
flat angles C4'-P-C4' energy: -114.176
flat angles P-C4'-P energy: -61.482
tors. eta vs tors. theta energy: -43.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -790.146965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.146965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.146965 (E_RNA)
where:
Base-Base interactions energy: -425.593
where: short stacking energy: -256.710
Base-Backbone interact. energy: -0.874
local terms energy: -363.680050
where:
bonds (distance) C4'-P energy: -103.262
bonds (distance) P-C4' energy: -96.694
flat angles C4'-P-C4' energy: -98.130
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -662.644656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.644656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.644656 (E_RNA)
where:
Base-Base interactions energy: -313.863
where: short stacking energy: -183.225
Base-Backbone interact. energy: 2.780
local terms energy: -351.561573
where:
bonds (distance) C4'-P energy: -117.390
bonds (distance) P-C4' energy: -111.270
flat angles C4'-P-C4' energy: -95.941
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: 20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2241.766612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.766612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.766612 (E_RNA)
where:
Base-Base interactions energy: -1543.246
where: short stacking energy: -660.146
Base-Backbone interact. energy: -0.287
local terms energy: -698.233876
where:
bonds (distance) C4'-P energy: -133.999
bonds (distance) P-C4' energy: -134.662
flat angles C4'-P-C4' energy: -147.551
flat angles P-C4'-P energy: -103.917
tors. eta vs tors. theta energy: -178.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2109.265791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.265791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.265791 (E_RNA)
where:
Base-Base interactions energy: -1457.938
where: short stacking energy: -623.339
Base-Backbone interact. energy: -3.899
local terms energy: -647.428696
where:
bonds (distance) C4'-P energy: -131.093
bonds (distance) P-C4' energy: -115.325
flat angles C4'-P-C4' energy: -134.778
flat angles P-C4'-P energy: -97.244
tors. eta vs tors. theta energy: -168.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1956.749861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.749861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.749861 (E_RNA)
where:
Base-Base interactions energy: -1341.442
where: short stacking energy: -551.038
Base-Backbone interact. energy: 5.034
local terms energy: -620.341905
where:
bonds (distance) C4'-P energy: -119.346
bonds (distance) P-C4' energy: -125.782
flat angles C4'-P-C4' energy: -138.127
flat angles P-C4'-P energy: -89.788
tors. eta vs tors. theta energy: -147.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1854.576658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.576658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.576658 (E_RNA)
where:
Base-Base interactions energy: -1256.524
where: short stacking energy: -531.171
Base-Backbone interact. energy: -3.153
local terms energy: -594.899401
where:
bonds (distance) C4'-P energy: -114.341
bonds (distance) P-C4' energy: -118.066
flat angles C4'-P-C4' energy: -137.009
flat angles P-C4'-P energy: -90.238
tors. eta vs tors. theta energy: -135.245
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: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1726.164280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.164280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.164280 (E_RNA)
where:
Base-Base interactions energy: -1143.153
where: short stacking energy: -504.646
Base-Backbone interact. energy: -0.375
local terms energy: -582.635585
where:
bonds (distance) C4'-P energy: -122.483
bonds (distance) P-C4' energy: -112.394
flat angles C4'-P-C4' energy: -133.416
flat angles P-C4'-P energy: -81.911
tors. eta vs tors. theta energy: -132.432
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: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1560.719393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.719393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.719393 (E_RNA)
where:
Base-Base interactions energy: -1019.728
where: short stacking energy: -462.610
Base-Backbone interact. energy: -1.361
local terms energy: -539.631310
where:
bonds (distance) C4'-P energy: -124.354
bonds (distance) P-C4' energy: -107.935
flat angles C4'-P-C4' energy: -113.900
flat angles P-C4'-P energy: -81.325
tors. eta vs tors. theta energy: -112.117
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: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1448.926524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.926524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.926524 (E_RNA)
where:
Base-Base interactions energy: -932.243
where: short stacking energy: -438.925
Base-Backbone interact. energy: -1.504
local terms energy: -515.179304
where:
bonds (distance) C4'-P energy: -104.607
bonds (distance) P-C4' energy: -119.488
flat angles C4'-P-C4' energy: -130.727
flat angles P-C4'-P energy: -56.161
tors. eta vs tors. theta energy: -104.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1094.834101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.834101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.834101 (E_RNA)
where:
Base-Base interactions energy: -649.892
where: short stacking energy: -326.336
Base-Backbone interact. energy: 0.269
local terms energy: -445.211204
where:
bonds (distance) C4'-P energy: -103.325
bonds (distance) P-C4' energy: -106.610
flat angles C4'-P-C4' energy: -116.044
flat angles P-C4'-P energy: -67.416
tors. eta vs tors. theta energy: -51.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -744.695150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.695150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.695150 (E_RNA)
where:
Base-Base interactions energy: -359.416
where: short stacking energy: -232.030
Base-Backbone interact. energy: 10.378
local terms energy: -395.657287
where:
bonds (distance) C4'-P energy: -120.887
bonds (distance) P-C4' energy: -104.995
flat angles C4'-P-C4' energy: -85.757
flat angles P-C4'-P energy: -67.414
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -697.537610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.537610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.537610 (E_RNA)
where:
Base-Base interactions energy: -360.360
where: short stacking energy: -211.465
Base-Backbone interact. energy: -0.730
local terms energy: -336.447751
where:
bonds (distance) C4'-P energy: -83.995
bonds (distance) P-C4' energy: -104.073
flat angles C4'-P-C4' energy: -80.285
flat angles P-C4'-P energy: -59.042
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2267.114784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.114784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.114784 (E_RNA)
where:
Base-Base interactions energy: -1576.323
where: short stacking energy: -635.206
Base-Backbone interact. energy: 0.073
local terms energy: -690.865107
where:
bonds (distance) C4'-P energy: -128.301
bonds (distance) P-C4' energy: -138.657
flat angles C4'-P-C4' energy: -150.033
flat angles P-C4'-P energy: -100.568
tors. eta vs tors. theta energy: -173.305
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: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2120.324539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.324539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.324539 (E_RNA)
where:
Base-Base interactions energy: -1448.327
where: short stacking energy: -618.921
Base-Backbone interact. energy: -3.518
local terms energy: -668.479471
where:
bonds (distance) C4'-P energy: -124.966
bonds (distance) P-C4' energy: -117.193
flat angles C4'-P-C4' energy: -155.865
flat angles P-C4'-P energy: -91.433
tors. eta vs tors. theta energy: -179.023
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: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1936.787680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.787680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.787680 (E_RNA)
where:
Base-Base interactions energy: -1288.040
where: short stacking energy: -557.886
Base-Backbone interact. energy: -4.217
local terms energy: -644.531037
where:
bonds (distance) C4'-P energy: -118.969
bonds (distance) P-C4' energy: -131.540
flat angles C4'-P-C4' energy: -140.963
flat angles P-C4'-P energy: -94.952
tors. eta vs tors. theta energy: -158.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1890.285418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.285418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.285418 (E_RNA)
where:
Base-Base interactions energy: -1267.125
where: short stacking energy: -526.342
Base-Backbone interact. energy: -4.033
local terms energy: -619.126583
where:
bonds (distance) C4'-P energy: -127.238
bonds (distance) P-C4' energy: -136.247
flat angles C4'-P-C4' energy: -129.982
flat angles P-C4'-P energy: -85.942
tors. eta vs tors. theta energy: -139.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1748.244355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.244355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.244355 (E_RNA)
where:
Base-Base interactions energy: -1156.009
where: short stacking energy: -534.901
Base-Backbone interact. energy: -1.545
local terms energy: -590.690522
where:
bonds (distance) C4'-P energy: -127.072
bonds (distance) P-C4' energy: -118.496
flat angles C4'-P-C4' energy: -134.728
flat angles P-C4'-P energy: -84.105
tors. eta vs tors. theta energy: -126.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1528.155186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.155186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.155186 (E_RNA)
where:
Base-Base interactions energy: -991.644
where: short stacking energy: -451.573
Base-Backbone interact. energy: -2.293
local terms energy: -534.218922
where:
bonds (distance) C4'-P energy: -104.980
bonds (distance) P-C4' energy: -115.946
flat angles C4'-P-C4' energy: -128.259
flat angles P-C4'-P energy: -81.514
tors. eta vs tors. theta energy: -103.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1423.601555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.601555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.601555 (E_RNA)
where:
Base-Base interactions energy: -886.501
where: short stacking energy: -421.583
Base-Backbone interact. energy: -2.960
local terms energy: -534.140606
where:
bonds (distance) C4'-P energy: -115.221
bonds (distance) P-C4' energy: -117.945
flat angles C4'-P-C4' energy: -134.938
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -94.697
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: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1168.433139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.433139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.433139 (E_RNA)
where:
Base-Base interactions energy: -694.747
where: short stacking energy: -329.095
Base-Backbone interact. energy: -2.956
local terms energy: -470.730850
where:
bonds (distance) C4'-P energy: -120.556
bonds (distance) P-C4' energy: -128.401
flat angles C4'-P-C4' energy: -106.915
flat angles P-C4'-P energy: -57.051
tors. eta vs tors. theta energy: -57.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -712.932238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.932238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.932238 (E_RNA)
where:
Base-Base interactions energy: -362.833
where: short stacking energy: -202.314
Base-Backbone interact. energy: -4.435
local terms energy: -345.664494
where:
bonds (distance) C4'-P energy: -93.232
bonds (distance) P-C4' energy: -101.055
flat angles C4'-P-C4' energy: -92.008
flat angles P-C4'-P energy: -55.429
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -709.551081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.551081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.551081 (E_RNA)
where:
Base-Base interactions energy: -367.358
where: short stacking energy: -206.337
Base-Backbone interact. energy: -0.673
local terms energy: -341.520870
where:
bonds (distance) C4'-P energy: -109.993
bonds (distance) P-C4' energy: -96.830
flat angles C4'-P-C4' energy: -93.100
flat angles P-C4'-P energy: -48.333
tors. eta vs tors. theta energy: 6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2248.428044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.428044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.428044 (E_RNA)
where:
Base-Base interactions energy: -1559.342
where: short stacking energy: -647.703
Base-Backbone interact. energy: -3.959
local terms energy: -685.127394
where:
bonds (distance) C4'-P energy: -136.650
bonds (distance) P-C4' energy: -129.961
flat angles C4'-P-C4' energy: -148.068
flat angles P-C4'-P energy: -95.788
tors. eta vs tors. theta energy: -174.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2120.880462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.880462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.880462 (E_RNA)
where:
Base-Base interactions energy: -1429.510
where: short stacking energy: -611.970
Base-Backbone interact. energy: -2.963
local terms energy: -688.407569
where:
bonds (distance) C4'-P energy: -140.406
bonds (distance) P-C4' energy: -124.562
flat angles C4'-P-C4' energy: -150.615
flat angles P-C4'-P energy: -87.639
tors. eta vs tors. theta energy: -185.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1980.862968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.862968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.862968 (E_RNA)
where:
Base-Base interactions energy: -1349.743
where: short stacking energy: -588.417
Base-Backbone interact. energy: 0.303
local terms energy: -631.423060
where:
bonds (distance) C4'-P energy: -111.470
bonds (distance) P-C4' energy: -129.314
flat angles C4'-P-C4' energy: -139.450
flat angles P-C4'-P energy: -91.117
tors. eta vs tors. theta energy: -160.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1874.172179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.172179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.172179 (E_RNA)
where:
Base-Base interactions energy: -1275.785
where: short stacking energy: -530.561
Base-Backbone interact. energy: -1.784
local terms energy: -596.603450
where:
bonds (distance) C4'-P energy: -123.302
bonds (distance) P-C4' energy: -116.065
flat angles C4'-P-C4' energy: -142.611
flat angles P-C4'-P energy: -83.258
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: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1707.303943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.303943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.303943 (E_RNA)
where:
Base-Base interactions energy: -1162.500
where: short stacking energy: -514.219
Base-Backbone interact. energy: 8.632
local terms energy: -553.435686
where:
bonds (distance) C4'-P energy: -117.897
bonds (distance) P-C4' energy: -109.344
flat angles C4'-P-C4' energy: -132.794
flat angles P-C4'-P energy: -73.499
tors. eta vs tors. theta energy: -119.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1486.696951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.696951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.696951 (E_RNA)
where:
Base-Base interactions energy: -945.452
where: short stacking energy: -406.820
Base-Backbone interact. energy: -2.952
local terms energy: -538.292453
where:
bonds (distance) C4'-P energy: -132.223
bonds (distance) P-C4' energy: -120.569
flat angles C4'-P-C4' energy: -121.210
flat angles P-C4'-P energy: -74.913
tors. eta vs tors. theta energy: -89.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1455.143371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.143371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.143371 (E_RNA)
where:
Base-Base interactions energy: -945.733
where: short stacking energy: -417.445
Base-Backbone interact. energy: -3.575
local terms energy: -505.834467
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -120.523
flat angles C4'-P-C4' energy: -108.442
flat angles P-C4'-P energy: -78.156
tors. eta vs tors. theta energy: -82.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1223.082298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.082298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.082298 (E_RNA)
where:
Base-Base interactions energy: -779.112
where: short stacking energy: -356.980
Base-Backbone interact. energy: -2.242
local terms energy: -441.727929
where:
bonds (distance) C4'-P energy: -110.778
bonds (distance) P-C4' energy: -93.941
flat angles C4'-P-C4' energy: -111.125
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: -59.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -770.493991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.493991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.493991 (E_RNA)
where:
Base-Base interactions energy: -388.198
where: short stacking energy: -213.582
Base-Backbone interact. energy: 1.906
local terms energy: -384.202823
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -127.933
flat angles C4'-P-C4' energy: -91.128
flat angles P-C4'-P energy: -53.720
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -678.164530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.164530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.164530 (E_RNA)
where:
Base-Base interactions energy: -339.367
where: short stacking energy: -200.401
Base-Backbone interact. energy: 1.158
local terms energy: -339.956041
where:
bonds (distance) C4'-P energy: -104.410
bonds (distance) P-C4' energy: -108.393
flat angles C4'-P-C4' energy: -94.601
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: 1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2256.938948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.938948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.938948 (E_RNA)
where:
Base-Base interactions energy: -1581.537
where: short stacking energy: -667.461
Base-Backbone interact. energy: -3.559
local terms energy: -671.842937
where:
bonds (distance) C4'-P energy: -137.167
bonds (distance) P-C4' energy: -128.165
flat angles C4'-P-C4' energy: -145.149
flat angles P-C4'-P energy: -83.307
tors. eta vs tors. theta energy: -178.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2092.248400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.248400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.248400 (E_RNA)
where:
Base-Base interactions energy: -1393.869
where: short stacking energy: -577.551
Base-Backbone interact. energy: -7.345
local terms energy: -691.034783
where:
bonds (distance) C4'-P energy: -139.581
bonds (distance) P-C4' energy: -134.563
flat angles C4'-P-C4' energy: -151.380
flat angles P-C4'-P energy: -95.678
tors. eta vs tors. theta energy: -169.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1970.199454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.199454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.199454 (E_RNA)
where:
Base-Base interactions energy: -1339.107
where: short stacking energy: -573.305
Base-Backbone interact. energy: -0.669
local terms energy: -630.422982
where:
bonds (distance) C4'-P energy: -128.212
bonds (distance) P-C4' energy: -116.559
flat angles C4'-P-C4' energy: -146.453
flat angles P-C4'-P energy: -85.489
tors. eta vs tors. theta energy: -153.711
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: 91
Temperature: 1.050000
Total energy: -1807.528149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.528149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.528149 (E_RNA)
where:
Base-Base interactions energy: -1209.732
where: short stacking energy: -521.459
Base-Backbone interact. energy: -2.240
local terms energy: -595.555616
where:
bonds (distance) C4'-P energy: -101.769
bonds (distance) P-C4' energy: -137.093
flat angles C4'-P-C4' energy: -135.296
flat angles P-C4'-P energy: -94.240
tors. eta vs tors. theta energy: -127.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1830.439627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.439627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.439627 (E_RNA)
where:
Base-Base interactions energy: -1230.412
where: short stacking energy: -520.749
Base-Backbone interact. energy: 1.109
local terms energy: -601.137057
where:
bonds (distance) C4'-P energy: -113.089
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -136.952
flat angles P-C4'-P energy: -92.550
tors. eta vs tors. theta energy: -127.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1484.324447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.324447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.324447 (E_RNA)
where:
Base-Base interactions energy: -955.605
where: short stacking energy: -454.108
Base-Backbone interact. energy: -0.715
local terms energy: -528.005392
where:
bonds (distance) C4'-P energy: -106.448
bonds (distance) P-C4' energy: -111.117
flat angles C4'-P-C4' energy: -131.012
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -105.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1414.343813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.343813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.343813 (E_RNA)
where:
Base-Base interactions energy: -926.293
where: short stacking energy: -426.278
Base-Backbone interact. energy: -5.045
local terms energy: -483.005370
where:
bonds (distance) C4'-P energy: -107.272
bonds (distance) P-C4' energy: -87.305
flat angles C4'-P-C4' energy: -109.413
flat angles P-C4'-P energy: -71.830
tors. eta vs tors. theta energy: -107.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1199.820715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.820715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.820715 (E_RNA)
where:
Base-Base interactions energy: -765.812
where: short stacking energy: -344.544
Base-Backbone interact. energy: -1.044
local terms energy: -432.964574
where:
bonds (distance) C4'-P energy: -113.904
bonds (distance) P-C4' energy: -120.118
flat angles C4'-P-C4' energy: -91.470
flat angles P-C4'-P energy: -57.657
tors. eta vs tors. theta energy: -49.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -834.792075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.792075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.792075 (E_RNA)
where:
Base-Base interactions energy: -459.327
where: short stacking energy: -247.959
Base-Backbone interact. energy: -0.231
local terms energy: -375.234236
where:
bonds (distance) C4'-P energy: -97.709
bonds (distance) P-C4' energy: -108.842
flat angles C4'-P-C4' energy: -87.983
flat angles P-C4'-P energy: -59.383
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -652.520622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.520622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.520622 (E_RNA)
where:
Base-Base interactions energy: -319.165
where: short stacking energy: -199.201
Base-Backbone interact. energy: 4.845
local terms energy: -338.200561
where:
bonds (distance) C4'-P energy: -105.330
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -99.384
flat angles P-C4'-P energy: -42.159
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: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2256.672587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.672587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.672587 (E_RNA)
where:
Base-Base interactions energy: -1555.021
where: short stacking energy: -644.620
Base-Backbone interact. energy: 0.561
local terms energy: -702.212760
where:
bonds (distance) C4'-P energy: -136.718
bonds (distance) P-C4' energy: -131.546
flat angles C4'-P-C4' energy: -147.343
flat angles P-C4'-P energy: -102.526
tors. eta vs tors. theta energy: -184.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2109.723712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.723712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.723712 (E_RNA)
where:
Base-Base interactions energy: -1457.390
where: short stacking energy: -606.249
Base-Backbone interact. energy: -4.134
local terms energy: -648.199718
where:
bonds (distance) C4'-P energy: -115.466
bonds (distance) P-C4' energy: -131.650
flat angles C4'-P-C4' energy: -138.819
flat angles P-C4'-P energy: -90.233
tors. eta vs tors. theta energy: -172.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2016.262326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.262326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.262326 (E_RNA)
where:
Base-Base interactions energy: -1361.127
where: short stacking energy: -580.052
Base-Backbone interact. energy: -3.481
local terms energy: -651.654534
where:
bonds (distance) C4'-P energy: -120.602
bonds (distance) P-C4' energy: -129.385
flat angles C4'-P-C4' energy: -148.634
flat angles P-C4'-P energy: -90.853
tors. eta vs tors. theta energy: -162.180
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: 92
Temperature: 1.050000
Total energy: -1786.958286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.958286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.958286 (E_RNA)
where:
Base-Base interactions energy: -1174.180
where: short stacking energy: -538.700
Base-Backbone interact. energy: -1.442
local terms energy: -611.336042
where:
bonds (distance) C4'-P energy: -123.451
bonds (distance) P-C4' energy: -118.787
flat angles C4'-P-C4' energy: -136.801
flat angles P-C4'-P energy: -94.227
tors. eta vs tors. theta energy: -138.070
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: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1836.334764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.334764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.334764 (E_RNA)
where:
Base-Base interactions energy: -1273.325
where: short stacking energy: -500.170
Base-Backbone interact. energy: 3.482
local terms energy: -566.491869
where:
bonds (distance) C4'-P energy: -109.163
bonds (distance) P-C4' energy: -114.984
flat angles C4'-P-C4' energy: -133.078
flat angles P-C4'-P energy: -90.749
tors. eta vs tors. theta energy: -118.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1463.665169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.665169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.665169 (E_RNA)
where:
Base-Base interactions energy: -951.190
where: short stacking energy: -416.751
Base-Backbone interact. energy: -0.780
local terms energy: -511.695128
where:
bonds (distance) C4'-P energy: -111.876
bonds (distance) P-C4' energy: -107.324
flat angles C4'-P-C4' energy: -128.493
flat angles P-C4'-P energy: -65.172
tors. eta vs tors. theta energy: -98.830
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: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1428.380835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.380835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.380835 (E_RNA)
where:
Base-Base interactions energy: -914.355
where: short stacking energy: -418.679
Base-Backbone interact. energy: -4.022
local terms energy: -510.003945
where:
bonds (distance) C4'-P energy: -105.777
bonds (distance) P-C4' energy: -117.231
flat angles C4'-P-C4' energy: -124.965
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -82.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1131.016222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.016222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.016222 (E_RNA)
where:
Base-Base interactions energy: -693.106
where: short stacking energy: -326.822
Base-Backbone interact. energy: 4.094
local terms energy: -442.003423
where:
bonds (distance) C4'-P energy: -107.405
bonds (distance) P-C4' energy: -121.704
flat angles C4'-P-C4' energy: -99.674
flat angles P-C4'-P energy: -78.298
tors. eta vs tors. theta energy: -34.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -816.872800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.872800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.872800 (E_RNA)
where:
Base-Base interactions energy: -435.200
where: short stacking energy: -237.874
Base-Backbone interact. energy: 0.003
local terms energy: -381.675998
where:
bonds (distance) C4'-P energy: -103.942
bonds (distance) P-C4' energy: -103.355
flat angles C4'-P-C4' energy: -112.830
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -8.761
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: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -684.619987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.619987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.619987 (E_RNA)
where:
Base-Base interactions energy: -326.183
where: short stacking energy: -175.438
Base-Backbone interact. energy: -0.371
local terms energy: -358.065787
where:
bonds (distance) C4'-P energy: -102.995
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -93.523
flat angles P-C4'-P energy: -65.624
tors. eta vs tors. theta energy: 6.938
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: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2248.320555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.320555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.320555 (E_RNA)
where:
Base-Base interactions energy: -1561.579
where: short stacking energy: -636.052
Base-Backbone interact. energy: 0.758
local terms energy: -687.499166
where:
bonds (distance) C4'-P energy: -134.729
bonds (distance) P-C4' energy: -126.092
flat angles C4'-P-C4' energy: -145.645
flat angles P-C4'-P energy: -105.691
tors. eta vs tors. theta energy: -175.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2135.302956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.302956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.302956 (E_RNA)
where:
Base-Base interactions energy: -1472.579
where: short stacking energy: -610.208
Base-Backbone interact. energy: 1.351
local terms energy: -664.074553
where:
bonds (distance) C4'-P energy: -133.903
bonds (distance) P-C4' energy: -127.020
flat angles C4'-P-C4' energy: -140.575
flat angles P-C4'-P energy: -85.896
tors. eta vs tors. theta energy: -176.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1955.915652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.915652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.915652 (E_RNA)
where:
Base-Base interactions energy: -1337.413
where: short stacking energy: -576.555
Base-Backbone interact. energy: 5.282
local terms energy: -623.784182
where:
bonds (distance) C4'-P energy: -127.503
bonds (distance) P-C4' energy: -120.040
flat angles C4'-P-C4' energy: -126.815
flat angles P-C4'-P energy: -102.443
tors. eta vs tors. theta energy: -146.984
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: 93
Temperature: 1.050000
Total energy: -1846.868179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.868179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.868179 (E_RNA)
where:
Base-Base interactions energy: -1265.803
where: short stacking energy: -492.423
Base-Backbone interact. energy: 1.669
local terms energy: -582.734375
where:
bonds (distance) C4'-P energy: -115.296
bonds (distance) P-C4' energy: -130.383
flat angles C4'-P-C4' energy: -134.466
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -118.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1756.076560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.076560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.076560 (E_RNA)
where:
Base-Base interactions energy: -1181.327
where: short stacking energy: -506.283
Base-Backbone interact. energy: 3.247
local terms energy: -577.996997
where:
bonds (distance) C4'-P energy: -122.254
bonds (distance) P-C4' energy: -110.084
flat angles C4'-P-C4' energy: -137.053
flat angles P-C4'-P energy: -78.769
tors. eta vs tors. theta energy: -129.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1513.437546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.437546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.437546 (E_RNA)
where:
Base-Base interactions energy: -937.001
where: short stacking energy: -444.925
Base-Backbone interact. energy: -2.035
local terms energy: -574.401239
where:
bonds (distance) C4'-P energy: -125.997
bonds (distance) P-C4' energy: -131.686
flat angles C4'-P-C4' energy: -111.101
flat angles P-C4'-P energy: -90.139
tors. eta vs tors. theta energy: -115.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1447.594271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.594271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.594271 (E_RNA)
where:
Base-Base interactions energy: -930.476
where: short stacking energy: -451.427
Base-Backbone interact. energy: 2.358
local terms energy: -519.475605
where:
bonds (distance) C4'-P energy: -108.440
bonds (distance) P-C4' energy: -126.168
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -103.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1118.506430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.506430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.506430 (E_RNA)
where:
Base-Base interactions energy: -687.206
where: short stacking energy: -322.682
Base-Backbone interact. energy: 3.273
local terms energy: -434.573111
where:
bonds (distance) C4'-P energy: -101.758
bonds (distance) P-C4' energy: -109.030
flat angles C4'-P-C4' energy: -106.921
flat angles P-C4'-P energy: -65.781
tors. eta vs tors. theta energy: -51.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -776.026533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.026533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.026533 (E_RNA)
where:
Base-Base interactions energy: -403.550
where: short stacking energy: -240.907
Base-Backbone interact. energy: -0.587
local terms energy: -371.889546
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -107.199
flat angles C4'-P-C4' energy: -90.137
flat angles P-C4'-P energy: -59.942
tors. eta vs tors. theta energy: -15.152
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: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -645.130146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.130146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.130146 (E_RNA)
where:
Base-Base interactions energy: -314.352
where: short stacking energy: -194.068
Base-Backbone interact. energy: -1.320
local terms energy: -329.458233
where:
bonds (distance) C4'-P energy: -106.028
bonds (distance) P-C4' energy: -107.904
flat angles C4'-P-C4' energy: -69.581
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: 2.038
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: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2287.152177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.152177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.152177 (E_RNA)
where:
Base-Base interactions energy: -1572.652
where: short stacking energy: -660.033
Base-Backbone interact. energy: -2.002
local terms energy: -712.498069
where:
bonds (distance) C4'-P energy: -138.342
bonds (distance) P-C4' energy: -138.693
flat angles C4'-P-C4' energy: -148.167
flat angles P-C4'-P energy: -108.677
tors. eta vs tors. theta energy: -178.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2135.206177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.206177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.206177 (E_RNA)
where:
Base-Base interactions energy: -1476.465
where: short stacking energy: -602.447
Base-Backbone interact. energy: -1.114
local terms energy: -657.626516
where:
bonds (distance) C4'-P energy: -122.922
bonds (distance) P-C4' energy: -130.641
flat angles C4'-P-C4' energy: -141.994
flat angles P-C4'-P energy: -88.563
tors. eta vs tors. theta energy: -173.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1945.096509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.096509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.096509 (E_RNA)
where:
Base-Base interactions energy: -1310.096
where: short stacking energy: -531.745
Base-Backbone interact. energy: -2.951
local terms energy: -632.050190
where:
bonds (distance) C4'-P energy: -125.774
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -147.259
flat angles P-C4'-P energy: -92.475
tors. eta vs tors. theta energy: -145.483
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: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1915.184887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.184887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.184887 (E_RNA)
where:
Base-Base interactions energy: -1307.673
where: short stacking energy: -562.770
Base-Backbone interact. energy: -3.622
local terms energy: -603.889602
where:
bonds (distance) C4'-P energy: -120.197
bonds (distance) P-C4' energy: -125.704
flat angles C4'-P-C4' energy: -124.167
flat angles P-C4'-P energy: -93.043
tors. eta vs tors. theta energy: -140.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1710.072428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.072428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.072428 (E_RNA)
where:
Base-Base interactions energy: -1122.947
where: short stacking energy: -490.151
Base-Backbone interact. energy: -1.359
local terms energy: -585.766450
where:
bonds (distance) C4'-P energy: -121.553
bonds (distance) P-C4' energy: -131.214
flat angles C4'-P-C4' energy: -132.400
flat angles P-C4'-P energy: -79.984
tors. eta vs tors. theta energy: -120.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1512.130322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.130322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.130322 (E_RNA)
where:
Base-Base interactions energy: -1011.295
where: short stacking energy: -456.147
Base-Backbone interact. energy: 0.723
local terms energy: -501.558557
where:
bonds (distance) C4'-P energy: -97.924
bonds (distance) P-C4' energy: -110.699
flat angles C4'-P-C4' energy: -117.608
flat angles P-C4'-P energy: -68.217
tors. eta vs tors. theta energy: -107.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1472.663703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.663703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.663703 (E_RNA)
where:
Base-Base interactions energy: -968.662
where: short stacking energy: -435.223
Base-Backbone interact. energy: -1.376
local terms energy: -502.625955
where:
bonds (distance) C4'-P energy: -97.860
bonds (distance) P-C4' energy: -133.189
flat angles C4'-P-C4' energy: -111.168
flat angles P-C4'-P energy: -73.495
tors. eta vs tors. theta energy: -86.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1143.371291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.371291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.371291 (E_RNA)
where:
Base-Base interactions energy: -673.711
where: short stacking energy: -322.559
Base-Backbone interact. energy: -0.908
local terms energy: -468.752077
where:
bonds (distance) C4'-P energy: -107.799
bonds (distance) P-C4' energy: -123.397
flat angles C4'-P-C4' energy: -100.724
flat angles P-C4'-P energy: -78.966
tors. eta vs tors. theta energy: -57.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -781.762617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.762617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.762617 (E_RNA)
where:
Base-Base interactions energy: -426.261
where: short stacking energy: -245.130
Base-Backbone interact. energy: -1.890
local terms energy: -353.611811
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -114.542
flat angles C4'-P-C4' energy: -83.383
flat angles P-C4'-P energy: -55.667
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -618.674402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.674402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.674402 (E_RNA)
where:
Base-Base interactions energy: -274.805
where: short stacking energy: -181.670
Base-Backbone interact. energy: -0.804
local terms energy: -343.065016
where:
bonds (distance) C4'-P energy: -115.748
bonds (distance) P-C4' energy: -110.044
flat angles C4'-P-C4' energy: -89.717
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: 21.952
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: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2253.130626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.130626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.130626 (E_RNA)
where:
Base-Base interactions energy: -1570.622
where: short stacking energy: -639.797
Base-Backbone interact. energy: -3.873
local terms energy: -678.636026
where:
bonds (distance) C4'-P energy: -145.620
bonds (distance) P-C4' energy: -114.695
flat angles C4'-P-C4' energy: -130.158
flat angles P-C4'-P energy: -98.832
tors. eta vs tors. theta energy: -189.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2130.330782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.330782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.330782 (E_RNA)
where:
Base-Base interactions energy: -1456.762
where: short stacking energy: -607.952
Base-Backbone interact. energy: 0.301
local terms energy: -673.870015
where:
bonds (distance) C4'-P energy: -129.401
bonds (distance) P-C4' energy: -130.499
flat angles C4'-P-C4' energy: -140.986
flat angles P-C4'-P energy: -105.317
tors. eta vs tors. theta energy: -167.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1908.363934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.363934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.363934 (E_RNA)
where:
Base-Base interactions energy: -1291.623
where: short stacking energy: -539.608
Base-Backbone interact. energy: -0.495
local terms energy: -616.246117
where:
bonds (distance) C4'-P energy: -106.774
bonds (distance) P-C4' energy: -137.280
flat angles C4'-P-C4' energy: -135.406
flat angles P-C4'-P energy: -80.179
tors. eta vs tors. theta energy: -156.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1928.823551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.823551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.823551 (E_RNA)
where:
Base-Base interactions energy: -1314.079
where: short stacking energy: -568.279
Base-Backbone interact. energy: -2.481
local terms energy: -612.263770
where:
bonds (distance) C4'-P energy: -115.672
bonds (distance) P-C4' energy: -126.103
flat angles C4'-P-C4' energy: -135.132
flat angles P-C4'-P energy: -81.595
tors. eta vs tors. theta energy: -153.762
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: 95
Temperature: 1.100000
Total energy: -1725.218573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.218573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.218573 (E_RNA)
where:
Base-Base interactions energy: -1124.809
where: short stacking energy: -501.530
Base-Backbone interact. energy: -1.951
local terms energy: -598.457904
where:
bonds (distance) C4'-P energy: -130.077
bonds (distance) P-C4' energy: -127.251
flat angles C4'-P-C4' energy: -123.315
flat angles P-C4'-P energy: -90.368
tors. eta vs tors. theta energy: -127.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1511.673119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.673119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.673119 (E_RNA)
where:
Base-Base interactions energy: -970.509
where: short stacking energy: -450.386
Base-Backbone interact. energy: -5.430
local terms energy: -535.733739
where:
bonds (distance) C4'-P energy: -109.896
bonds (distance) P-C4' energy: -116.660
flat angles C4'-P-C4' energy: -125.168
flat angles P-C4'-P energy: -87.802
tors. eta vs tors. theta energy: -96.207
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: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1435.069514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.069514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.069514 (E_RNA)
where:
Base-Base interactions energy: -916.852
where: short stacking energy: -421.370
Base-Backbone interact. energy: 2.767
local terms energy: -520.984724
where:
bonds (distance) C4'-P energy: -121.444
bonds (distance) P-C4' energy: -114.255
flat angles C4'-P-C4' energy: -107.640
flat angles P-C4'-P energy: -83.341
tors. eta vs tors. theta energy: -94.304
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: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1174.278711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.278711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.278711 (E_RNA)
where:
Base-Base interactions energy: -693.438
where: short stacking energy: -363.315
Base-Backbone interact. energy: -1.878
local terms energy: -478.962494
where:
bonds (distance) C4'-P energy: -113.382
bonds (distance) P-C4' energy: -111.066
flat angles C4'-P-C4' energy: -106.270
flat angles P-C4'-P energy: -79.528
tors. eta vs tors. theta energy: -68.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -764.022158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.022158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.022158 (E_RNA)
where:
Base-Base interactions energy: -397.552
where: short stacking energy: -221.410
Base-Backbone interact. energy: 3.227
local terms energy: -369.696935
where:
bonds (distance) C4'-P energy: -103.557
bonds (distance) P-C4' energy: -101.147
flat angles C4'-P-C4' energy: -86.347
flat angles P-C4'-P energy: -62.437
tors. eta vs tors. theta energy: -16.209
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: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -624.011954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.011954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.011954 (E_RNA)
where:
Base-Base interactions energy: -275.609
where: short stacking energy: -157.951
Base-Backbone interact. energy: -2.991
local terms energy: -345.411964
where:
bonds (distance) C4'-P energy: -117.739
bonds (distance) P-C4' energy: -101.340
flat angles C4'-P-C4' energy: -99.127
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: 29.102
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: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2253.811935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.811935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.811935 (E_RNA)
where:
Base-Base interactions energy: -1561.404
where: short stacking energy: -646.001
Base-Backbone interact. energy: -0.584
local terms energy: -691.823992
where:
bonds (distance) C4'-P energy: -131.495
bonds (distance) P-C4' energy: -135.370
flat angles C4'-P-C4' energy: -147.624
flat angles P-C4'-P energy: -98.816
tors. eta vs tors. theta energy: -178.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2140.198612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.198612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.198612 (E_RNA)
where:
Base-Base interactions energy: -1485.432
where: short stacking energy: -641.612
Base-Backbone interact. energy: 3.574
local terms energy: -658.340862
where:
bonds (distance) C4'-P energy: -121.109
bonds (distance) P-C4' energy: -135.856
flat angles C4'-P-C4' energy: -134.450
flat angles P-C4'-P energy: -87.111
tors. eta vs tors. theta energy: -179.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1990.705915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.705915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.705915 (E_RNA)
where:
Base-Base interactions energy: -1316.784
where: short stacking energy: -586.191
Base-Backbone interact. energy: -1.752
local terms energy: -672.170044
where:
bonds (distance) C4'-P energy: -135.423
bonds (distance) P-C4' energy: -131.435
flat angles C4'-P-C4' energy: -148.672
flat angles P-C4'-P energy: -89.243
tors. eta vs tors. theta energy: -167.398
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: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1847.141839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.141839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.141839 (E_RNA)
where:
Base-Base interactions energy: -1256.764
where: short stacking energy: -497.806
Base-Backbone interact. energy: -4.778
local terms energy: -585.599260
where:
bonds (distance) C4'-P energy: -116.946
bonds (distance) P-C4' energy: -122.155
flat angles C4'-P-C4' energy: -133.341
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -130.217
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: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1694.362843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.362843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.362843 (E_RNA)
where:
Base-Base interactions energy: -1130.084
where: short stacking energy: -487.483
Base-Backbone interact. energy: -3.761
local terms energy: -560.517517
where:
bonds (distance) C4'-P energy: -113.125
bonds (distance) P-C4' energy: -117.467
flat angles C4'-P-C4' energy: -130.504
flat angles P-C4'-P energy: -85.761
tors. eta vs tors. theta energy: -113.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1511.866834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.866834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.866834 (E_RNA)
where:
Base-Base interactions energy: -965.745
where: short stacking energy: -422.431
Base-Backbone interact. energy: 0.905
local terms energy: -547.027487
where:
bonds (distance) C4'-P energy: -116.415
bonds (distance) P-C4' energy: -129.447
flat angles C4'-P-C4' energy: -134.025
flat angles P-C4'-P energy: -75.900
tors. eta vs tors. theta energy: -91.241
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: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1377.137405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.137405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.137405 (E_RNA)
where:
Base-Base interactions energy: -898.520
where: short stacking energy: -403.966
Base-Backbone interact. energy: 4.881
local terms energy: -483.498894
where:
bonds (distance) C4'-P energy: -101.556
bonds (distance) P-C4' energy: -123.288
flat angles C4'-P-C4' energy: -110.316
flat angles P-C4'-P energy: -81.738
tors. eta vs tors. theta energy: -66.601
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: 96
Temperature: 1.250000
Total energy: -1157.624296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.624296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.624296 (E_RNA)
where:
Base-Base interactions energy: -718.363
where: short stacking energy: -342.548
Base-Backbone interact. energy: -0.436
local terms energy: -438.825259
where:
bonds (distance) C4'-P energy: -88.408
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -108.192
flat angles P-C4'-P energy: -60.680
tors. eta vs tors. theta energy: -74.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -701.298509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.298509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.298509 (E_RNA)
where:
Base-Base interactions energy: -348.791
where: short stacking energy: -199.645
Base-Backbone interact. energy: 3.583
local terms energy: -356.089905
where:
bonds (distance) C4'-P energy: -98.382
bonds (distance) P-C4' energy: -130.576
flat angles C4'-P-C4' energy: -82.463
flat angles P-C4'-P energy: -55.356
tors. eta vs tors. theta energy: 10.686
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: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -683.912578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.912578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.912578 (E_RNA)
where:
Base-Base interactions energy: -302.760
where: short stacking energy: -191.905
Base-Backbone interact. energy: -2.114
local terms energy: -379.038206
where:
bonds (distance) C4'-P energy: -121.946
bonds (distance) P-C4' energy: -120.127
flat angles C4'-P-C4' energy: -101.109
flat angles P-C4'-P energy: -54.441
tors. eta vs tors. theta energy: 18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2249.280825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.280825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.280825 (E_RNA)
where:
Base-Base interactions energy: -1556.855
where: short stacking energy: -644.090
Base-Backbone interact. energy: -0.714
local terms energy: -691.712171
where:
bonds (distance) C4'-P energy: -145.273
bonds (distance) P-C4' energy: -132.558
flat angles C4'-P-C4' energy: -130.029
flat angles P-C4'-P energy: -107.898
tors. eta vs tors. theta energy: -175.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2130.178420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.178420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.178420 (E_RNA)
where:
Base-Base interactions energy: -1449.577
where: short stacking energy: -618.560
Base-Backbone interact. energy: -5.686
local terms energy: -674.915607
where:
bonds (distance) C4'-P energy: -125.715
bonds (distance) P-C4' energy: -116.476
flat angles C4'-P-C4' energy: -143.972
flat angles P-C4'-P energy: -110.554
tors. eta vs tors. theta energy: -178.199
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: 97
Temperature: 1.000000
Total energy: -2023.359559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.359559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.359559 (E_RNA)
where:
Base-Base interactions energy: -1364.422
where: short stacking energy: -582.682
Base-Backbone interact. energy: -1.687
local terms energy: -657.250163
where:
bonds (distance) C4'-P energy: -134.544
bonds (distance) P-C4' energy: -133.102
flat angles C4'-P-C4' energy: -150.554
flat angles P-C4'-P energy: -86.194
tors. eta vs tors. theta energy: -152.855
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: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1899.048852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.048852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.048852 (E_RNA)
where:
Base-Base interactions energy: -1286.105
where: short stacking energy: -547.527
Base-Backbone interact. energy: 0.566
local terms energy: -613.509522
where:
bonds (distance) C4'-P energy: -114.526
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -139.066
flat angles P-C4'-P energy: -87.366
tors. eta vs tors. theta energy: -134.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1702.344929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.344929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.344929 (E_RNA)
where:
Base-Base interactions energy: -1101.773
where: short stacking energy: -508.154
Base-Backbone interact. energy: -4.266
local terms energy: -596.306014
where:
bonds (distance) C4'-P energy: -137.594
bonds (distance) P-C4' energy: -123.542
flat angles C4'-P-C4' energy: -121.902
flat angles P-C4'-P energy: -81.143
tors. eta vs tors. theta energy: -132.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1539.118397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.118397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.118397 (E_RNA)
where:
Base-Base interactions energy: -982.000
where: short stacking energy: -423.463
Base-Backbone interact. energy: 0.396
local terms energy: -557.514267
where:
bonds (distance) C4'-P energy: -112.459
bonds (distance) P-C4' energy: -138.671
flat angles C4'-P-C4' energy: -114.888
flat angles P-C4'-P energy: -86.928
tors. eta vs tors. theta energy: -104.568
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: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1415.018078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.018078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.018078 (E_RNA)
where:
Base-Base interactions energy: -894.299
where: short stacking energy: -419.775
Base-Backbone interact. energy: -2.363
local terms energy: -518.355196
where:
bonds (distance) C4'-P energy: -112.522
bonds (distance) P-C4' energy: -115.362
flat angles C4'-P-C4' energy: -121.474
flat angles P-C4'-P energy: -78.035
tors. eta vs tors. theta energy: -90.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1177.389934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.389934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.389934 (E_RNA)
where:
Base-Base interactions energy: -729.947
where: short stacking energy: -358.992
Base-Backbone interact. energy: -0.887
local terms energy: -446.555888
where:
bonds (distance) C4'-P energy: -96.031
bonds (distance) P-C4' energy: -107.549
flat angles C4'-P-C4' energy: -113.637
flat angles P-C4'-P energy: -68.895
tors. eta vs tors. theta energy: -60.444
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: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -860.646403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.646403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.646403 (E_RNA)
where:
Base-Base interactions energy: -451.526
where: short stacking energy: -246.383
Base-Backbone interact. energy: 3.952
local terms energy: -413.072251
where:
bonds (distance) C4'-P energy: -103.200
bonds (distance) P-C4' energy: -125.613
flat angles C4'-P-C4' energy: -93.555
flat angles P-C4'-P energy: -63.912
tors. eta vs tors. theta energy: -26.793
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: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -659.916404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.916404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.916404 (E_RNA)
where:
Base-Base interactions energy: -325.039
where: short stacking energy: -214.554
Base-Backbone interact. energy: -1.945
local terms energy: -332.932190
where:
bonds (distance) C4'-P energy: -84.194
bonds (distance) P-C4' energy: -101.163
flat angles C4'-P-C4' energy: -95.891
flat angles P-C4'-P energy: -47.955
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: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2256.912029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.912029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.912029 (E_RNA)
where:
Base-Base interactions energy: -1585.205
where: short stacking energy: -649.789
Base-Backbone interact. energy: -0.427
local terms energy: -671.280248
where:
bonds (distance) C4'-P energy: -101.627
bonds (distance) P-C4' energy: -147.286
flat angles C4'-P-C4' energy: -139.163
flat angles P-C4'-P energy: -108.712
tors. eta vs tors. theta energy: -174.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2108.847183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.847183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.847183 (E_RNA)
where:
Base-Base interactions energy: -1452.806
where: short stacking energy: -614.465
Base-Backbone interact. energy: -7.162
local terms energy: -648.879235
where:
bonds (distance) C4'-P energy: -120.026
bonds (distance) P-C4' energy: -115.560
flat angles C4'-P-C4' energy: -142.426
flat angles P-C4'-P energy: -96.030
tors. eta vs tors. theta energy: -174.838
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: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2033.954499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.954499 (E_RNA)
where:
Base-Base interactions energy: -1385.267
where: short stacking energy: -603.053
Base-Backbone interact. energy: -0.324
local terms energy: -648.363458
where:
bonds (distance) C4'-P energy: -122.948
bonds (distance) P-C4' energy: -128.394
flat angles C4'-P-C4' energy: -128.175
flat angles P-C4'-P energy: -103.372
tors. eta vs tors. theta energy: -165.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1843.806940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.806940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.806940 (E_RNA)
where:
Base-Base interactions energy: -1243.002
where: short stacking energy: -535.922
Base-Backbone interact. energy: -3.538
local terms energy: -597.267047
where:
bonds (distance) C4'-P energy: -114.164
bonds (distance) P-C4' energy: -123.239
flat angles C4'-P-C4' energy: -143.130
flat angles P-C4'-P energy: -87.038
tors. eta vs tors. theta energy: -129.696
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: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1659.548806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.548806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.548806 (E_RNA)
where:
Base-Base interactions energy: -1091.336
where: short stacking energy: -502.327
Base-Backbone interact. energy: 5.743
local terms energy: -573.955824
where:
bonds (distance) C4'-P energy: -128.459
bonds (distance) P-C4' energy: -106.293
flat angles C4'-P-C4' energy: -133.780
flat angles P-C4'-P energy: -86.251
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: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1529.955537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.955537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.955537 (E_RNA)
where:
Base-Base interactions energy: -984.108
where: short stacking energy: -428.729
Base-Backbone interact. energy: -4.210
local terms energy: -541.637093
where:
bonds (distance) C4'-P energy: -112.632
bonds (distance) P-C4' energy: -128.215
flat angles C4'-P-C4' energy: -130.282
flat angles P-C4'-P energy: -74.835
tors. eta vs tors. theta energy: -95.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1440.695479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.695479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.695479 (E_RNA)
where:
Base-Base interactions energy: -909.020
where: short stacking energy: -423.393
Base-Backbone interact. energy: -2.257
local terms energy: -529.418651
where:
bonds (distance) C4'-P energy: -112.390
bonds (distance) P-C4' energy: -116.060
flat angles C4'-P-C4' energy: -132.093
flat angles P-C4'-P energy: -72.341
tors. eta vs tors. theta energy: -96.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1107.815863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.815863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.815863 (E_RNA)
where:
Base-Base interactions energy: -639.713
where: short stacking energy: -314.881
Base-Backbone interact. energy: -0.427
local terms energy: -467.675831
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -132.329
flat angles C4'-P-C4' energy: -115.969
flat angles P-C4'-P energy: -62.244
tors. eta vs tors. theta energy: -60.101
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: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -840.634127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.634127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.634127 (E_RNA)
where:
Base-Base interactions energy: -468.951
where: short stacking energy: -248.378
Base-Backbone interact. energy: 2.565
local terms energy: -374.248862
where:
bonds (distance) C4'-P energy: -105.599
bonds (distance) P-C4' energy: -100.588
flat angles C4'-P-C4' energy: -110.311
flat angles P-C4'-P energy: -47.983
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -611.526245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.526245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.526245 (E_RNA)
where:
Base-Base interactions energy: -261.521
where: short stacking energy: -140.414
Base-Backbone interact. energy: -1.056
local terms energy: -348.949221
where:
bonds (distance) C4'-P energy: -102.759
bonds (distance) P-C4' energy: -111.304
flat angles C4'-P-C4' energy: -86.490
flat angles P-C4'-P energy: -58.028
tors. eta vs tors. theta energy: 9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2254.395146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.395146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.395146 (E_RNA)
where:
Base-Base interactions energy: -1549.293
where: short stacking energy: -642.688
Base-Backbone interact. energy: 0.985
local terms energy: -706.087280
where:
bonds (distance) C4'-P energy: -132.267
bonds (distance) P-C4' energy: -136.851
flat angles C4'-P-C4' energy: -148.486
flat angles P-C4'-P energy: -103.737
tors. eta vs tors. theta energy: -184.746
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2146.979100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.979100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.979100 (E_RNA)
where:
Base-Base interactions energy: -1485.396
where: short stacking energy: -629.535
Base-Backbone interact. energy: -3.686
local terms energy: -657.896975
where:
bonds (distance) C4'-P energy: -124.670
bonds (distance) P-C4' energy: -114.804
flat angles C4'-P-C4' energy: -151.810
flat angles P-C4'-P energy: -90.403
tors. eta vs tors. theta energy: -176.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1989.520453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.520453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.520453 (E_RNA)
where:
Base-Base interactions energy: -1353.154
where: short stacking energy: -569.975
Base-Backbone interact. energy: -0.363
local terms energy: -636.002895
where:
bonds (distance) C4'-P energy: -115.808
bonds (distance) P-C4' energy: -131.554
flat angles C4'-P-C4' energy: -143.201
flat angles P-C4'-P energy: -93.244
tors. eta vs tors. theta energy: -152.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1870.780143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.780143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.780143 (E_RNA)
where:
Base-Base interactions energy: -1266.737
where: short stacking energy: -529.639
Base-Backbone interact. energy: -4.540
local terms energy: -599.503865
where:
bonds (distance) C4'-P energy: -104.994
bonds (distance) P-C4' energy: -136.985
flat angles C4'-P-C4' energy: -130.237
flat angles P-C4'-P energy: -85.554
tors. eta vs tors. theta energy: -141.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1641.753122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.753122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.753122 (E_RNA)
where:
Base-Base interactions energy: -1071.887
where: short stacking energy: -475.552
Base-Backbone interact. energy: -2.891
local terms energy: -566.974876
where:
bonds (distance) C4'-P energy: -109.181
bonds (distance) P-C4' energy: -125.911
flat angles C4'-P-C4' energy: -133.391
flat angles P-C4'-P energy: -92.222
tors. eta vs tors. theta energy: -106.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1497.721806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.721806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.721806 (E_RNA)
where:
Base-Base interactions energy: -980.643
where: short stacking energy: -428.059
Base-Backbone interact. energy: -0.838
local terms energy: -516.240033
where:
bonds (distance) C4'-P energy: -110.903
bonds (distance) P-C4' energy: -102.529
flat angles C4'-P-C4' energy: -118.935
flat angles P-C4'-P energy: -82.802
tors. eta vs tors. theta energy: -101.071
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: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1396.123783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.123783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.123783 (E_RNA)
where:
Base-Base interactions energy: -914.411
where: short stacking energy: -415.542
Base-Backbone interact. energy: 2.297
local terms energy: -484.009136
where:
bonds (distance) C4'-P energy: -110.702
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -118.419
flat angles P-C4'-P energy: -69.201
tors. eta vs tors. theta energy: -90.429
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: 99
Temperature: 1.250000
Total energy: -1168.074724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.074724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.074724 (E_RNA)
where:
Base-Base interactions energy: -728.078
where: short stacking energy: -351.745
Base-Backbone interact. energy: -0.894
local terms energy: -439.103037
where:
bonds (distance) C4'-P energy: -91.955
bonds (distance) P-C4' energy: -109.717
flat angles C4'-P-C4' energy: -116.242
flat angles P-C4'-P energy: -64.345
tors. eta vs tors. theta energy: -56.844
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: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -875.859202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.859202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.859202 (E_RNA)
where:
Base-Base interactions energy: -493.535
where: short stacking energy: -239.642
Base-Backbone interact. energy: -0.179
local terms energy: -382.144827
where:
bonds (distance) C4'-P energy: -108.284
bonds (distance) P-C4' energy: -115.220
flat angles C4'-P-C4' energy: -98.487
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -678.389955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.389955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.389955 (E_RNA)
where:
Base-Base interactions energy: -328.465
where: short stacking energy: -220.294
Base-Backbone interact. energy: -0.672
local terms energy: -349.252521
where:
bonds (distance) C4'-P energy: -113.126
bonds (distance) P-C4' energy: -101.289
flat angles C4'-P-C4' energy: -80.077
flat angles P-C4'-P energy: -55.360
tors. eta vs tors. theta energy: 0.600
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: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2245.359698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.359698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.359698 (E_RNA)
where:
Base-Base interactions energy: -1540.997
where: short stacking energy: -660.046
Base-Backbone interact. energy: -4.948
local terms energy: -699.414798
where:
bonds (distance) C4'-P energy: -129.265
bonds (distance) P-C4' energy: -118.289
flat angles C4'-P-C4' energy: -148.096
flat angles P-C4'-P energy: -110.876
tors. eta vs tors. theta energy: -192.888
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: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2125.532974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.532974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.532974 (E_RNA)
where:
Base-Base interactions energy: -1452.340
where: short stacking energy: -622.359
Base-Backbone interact. energy: -0.785
local terms energy: -672.407587
where:
bonds (distance) C4'-P energy: -134.905
bonds (distance) P-C4' energy: -130.630
flat angles C4'-P-C4' energy: -142.750
flat angles P-C4'-P energy: -81.532
tors. eta vs tors. theta energy: -182.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2009.330786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.330786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.330786 (E_RNA)
where:
Base-Base interactions energy: -1388.282
where: short stacking energy: -578.815
Base-Backbone interact. energy: -2.356
local terms energy: -618.693062
where:
bonds (distance) C4'-P energy: -108.360
bonds (distance) P-C4' energy: -141.147
flat angles C4'-P-C4' energy: -129.277
flat angles P-C4'-P energy: -89.507
tors. eta vs tors. theta energy: -150.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1880.918093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.918093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.918093 (E_RNA)
where:
Base-Base interactions energy: -1259.837
where: short stacking energy: -544.035
Base-Backbone interact. energy: -3.577
local terms energy: -617.503934
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -134.974
flat angles C4'-P-C4' energy: -140.550
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -139.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1645.910557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.910557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.910557 (E_RNA)
where:
Base-Base interactions energy: -1098.356
where: short stacking energy: -487.714
Base-Backbone interact. energy: 0.038
local terms energy: -547.591754
where:
bonds (distance) C4'-P energy: -99.553
bonds (distance) P-C4' energy: -116.070
flat angles C4'-P-C4' energy: -149.647
flat angles P-C4'-P energy: -74.693
tors. eta vs tors. theta energy: -107.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1508.973836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.973836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.973836 (E_RNA)
where:
Base-Base interactions energy: -989.463
where: short stacking energy: -425.823
Base-Backbone interact. energy: -1.961
local terms energy: -517.549731
where:
bonds (distance) C4'-P energy: -101.252
bonds (distance) P-C4' energy: -121.248
flat angles C4'-P-C4' energy: -117.055
flat angles P-C4'-P energy: -86.149
tors. eta vs tors. theta energy: -91.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1412.569868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.569868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.569868 (E_RNA)
where:
Base-Base interactions energy: -882.935
where: short stacking energy: -406.258
Base-Backbone interact. energy: -2.839
local terms energy: -526.795512
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -116.825
flat angles C4'-P-C4' energy: -118.301
flat angles P-C4'-P energy: -91.694
tors. eta vs tors. theta energy: -95.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1149.382342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.382342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.382342 (E_RNA)
where:
Base-Base interactions energy: -669.527
where: short stacking energy: -348.981
Base-Backbone interact. energy: -1.917
local terms energy: -477.939079
where:
bonds (distance) C4'-P energy: -113.660
bonds (distance) P-C4' energy: -114.893
flat angles C4'-P-C4' energy: -115.290
flat angles P-C4'-P energy: -69.326
tors. eta vs tors. theta energy: -64.771
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: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -866.140309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.140309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.140309 (E_RNA)
where:
Base-Base interactions energy: -461.741
where: short stacking energy: -242.863
Base-Backbone interact. energy: -1.102
local terms energy: -403.297149
where:
bonds (distance) C4'-P energy: -110.433
bonds (distance) P-C4' energy: -109.841
flat angles C4'-P-C4' energy: -99.624
flat angles P-C4'-P energy: -54.449
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -687.125719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.125719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.125719 (E_RNA)
where:
Base-Base interactions energy: -360.497
where: short stacking energy: -202.852
Base-Backbone interact. energy: -0.744
local terms energy: -325.884978
where:
bonds (distance) C4'-P energy: -72.861
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -81.372
flat angles P-C4'-P energy: -65.099
tors. eta vs tors. theta energy: 13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2249.137108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.137108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.137108 (E_RNA)
where:
Base-Base interactions energy: -1548.571
where: short stacking energy: -664.429
Base-Backbone interact. energy: -6.557
local terms energy: -694.008916
where:
bonds (distance) C4'-P energy: -135.138
bonds (distance) P-C4' energy: -142.564
flat angles C4'-P-C4' energy: -133.776
flat angles P-C4'-P energy: -98.518
tors. eta vs tors. theta energy: -184.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2130.833939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.833939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.833939 (E_RNA)
where:
Base-Base interactions energy: -1459.611
where: short stacking energy: -595.732
Base-Backbone interact. energy: -4.106
local terms energy: -667.116810
where:
bonds (distance) C4'-P energy: -120.909
bonds (distance) P-C4' energy: -133.296
flat angles C4'-P-C4' energy: -144.687
flat angles P-C4'-P energy: -94.237
tors. eta vs tors. theta energy: -173.988
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: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2057.792379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.792379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.792379 (E_RNA)
where:
Base-Base interactions energy: -1406.822
where: short stacking energy: -611.929
Base-Backbone interact. energy: -1.519
local terms energy: -649.451285
where:
bonds (distance) C4'-P energy: -118.787
bonds (distance) P-C4' energy: -119.515
flat angles C4'-P-C4' energy: -145.634
flat angles P-C4'-P energy: -93.674
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: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1838.762178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.762178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.762178 (E_RNA)
where:
Base-Base interactions energy: -1238.006
where: short stacking energy: -524.795
Base-Backbone interact. energy: -0.767
local terms energy: -599.989138
where:
bonds (distance) C4'-P energy: -120.285
bonds (distance) P-C4' energy: -111.924
flat angles C4'-P-C4' energy: -140.667
flat angles P-C4'-P energy: -89.918
tors. eta vs tors. theta energy: -137.195
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: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1649.250403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.250403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.250403 (E_RNA)
where:
Base-Base interactions energy: -1113.595
where: short stacking energy: -496.519
Base-Backbone interact. energy: -2.931
local terms energy: -532.724267
where:
bonds (distance) C4'-P energy: -113.609
bonds (distance) P-C4' energy: -115.402
flat angles C4'-P-C4' energy: -117.920
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -101.781
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: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1533.044746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.044746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.044746 (E_RNA)
where:
Base-Base interactions energy: -1001.151
where: short stacking energy: -457.997
Base-Backbone interact. energy: -3.534
local terms energy: -528.359626
where:
bonds (distance) C4'-P energy: -120.417
bonds (distance) P-C4' energy: -114.630
flat angles C4'-P-C4' energy: -133.609
flat angles P-C4'-P energy: -64.081
tors. eta vs tors. theta energy: -95.622
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1333.237708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.237708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.237708 (E_RNA)
where:
Base-Base interactions energy: -836.622
where: short stacking energy: -387.130
Base-Backbone interact. energy: -1.727
local terms energy: -494.888958
where:
bonds (distance) C4'-P energy: -101.983
bonds (distance) P-C4' energy: -131.233
flat angles C4'-P-C4' energy: -123.848
flat angles P-C4'-P energy: -65.012
tors. eta vs tors. theta energy: -72.813
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: 101
Temperature: 1.250000
Total energy: -1183.068243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.068243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.068243 (E_RNA)
where:
Base-Base interactions energy: -745.579
where: short stacking energy: -345.273
Base-Backbone interact. energy: 0.100
local terms energy: -437.589668
where:
bonds (distance) C4'-P energy: -104.432
bonds (distance) P-C4' energy: -108.128
flat angles C4'-P-C4' energy: -105.164
flat angles P-C4'-P energy: -65.865
tors. eta vs tors. theta energy: -54.001
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: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -894.168425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.168425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.168425 (E_RNA)
where:
Base-Base interactions energy: -488.572
where: short stacking energy: -259.359
Base-Backbone interact. energy: -0.593
local terms energy: -405.002548
where:
bonds (distance) C4'-P energy: -103.504
bonds (distance) P-C4' energy: -101.856
flat angles C4'-P-C4' energy: -98.740
flat angles P-C4'-P energy: -64.060
tors. eta vs tors. theta energy: -36.842
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: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -715.612943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.612943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.612943 (E_RNA)
where:
Base-Base interactions energy: -338.623
where: short stacking energy: -209.413
Base-Backbone interact. energy: -2.029
local terms energy: -374.961854
where:
bonds (distance) C4'-P energy: -104.798
bonds (distance) P-C4' energy: -99.709
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -51.719
tors. eta vs tors. theta energy: -10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2250.008931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.008931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.008931 (E_RNA)
where:
Base-Base interactions energy: -1569.211
where: short stacking energy: -646.313
Base-Backbone interact. energy: -3.737
local terms energy: -677.061682
where:
bonds (distance) C4'-P energy: -120.812
bonds (distance) P-C4' energy: -130.690
flat angles C4'-P-C4' energy: -143.373
flat angles P-C4'-P energy: -95.988
tors. eta vs tors. theta energy: -186.199
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: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2146.780489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.780489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.780489 (E_RNA)
where:
Base-Base interactions energy: -1463.710
where: short stacking energy: -609.018
Base-Backbone interact. energy: -4.235
local terms energy: -678.834769
where:
bonds (distance) C4'-P energy: -131.574
bonds (distance) P-C4' energy: -130.221
flat angles C4'-P-C4' energy: -145.883
flat angles P-C4'-P energy: -90.694
tors. eta vs tors. theta energy: -180.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2027.954930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.954930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.954930 (E_RNA)
where:
Base-Base interactions energy: -1390.595
where: short stacking energy: -603.746
Base-Backbone interact. energy: 8.173
local terms energy: -645.532980
where:
bonds (distance) C4'-P energy: -133.717
bonds (distance) P-C4' energy: -114.242
flat angles C4'-P-C4' energy: -141.962
flat angles P-C4'-P energy: -94.105
tors. eta vs tors. theta energy: -161.507
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: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1836.487608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.487608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.487608 (E_RNA)
where:
Base-Base interactions energy: -1265.548
where: short stacking energy: -513.655
Base-Backbone interact. energy: -1.620
local terms energy: -569.318854
where:
bonds (distance) C4'-P energy: -110.094
bonds (distance) P-C4' energy: -118.390
flat angles C4'-P-C4' energy: -133.470
flat angles P-C4'-P energy: -70.842
tors. eta vs tors. theta energy: -136.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1660.783625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.783625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.783625 (E_RNA)
where:
Base-Base interactions energy: -1095.472
where: short stacking energy: -474.402
Base-Backbone interact. energy: -3.118
local terms energy: -562.194116
where:
bonds (distance) C4'-P energy: -116.287
bonds (distance) P-C4' energy: -134.124
flat angles C4'-P-C4' energy: -117.804
flat angles P-C4'-P energy: -77.783
tors. eta vs tors. theta energy: -116.196
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: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1587.179926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.179926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.179926 (E_RNA)
where:
Base-Base interactions energy: -1042.432
where: short stacking energy: -476.045
Base-Backbone interact. energy: 2.242
local terms energy: -546.989463
where:
bonds (distance) C4'-P energy: -119.594
bonds (distance) P-C4' energy: -123.024
flat angles C4'-P-C4' energy: -125.271
flat angles P-C4'-P energy: -79.366
tors. eta vs tors. theta energy: -99.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1330.274667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.274667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.274667 (E_RNA)
where:
Base-Base interactions energy: -834.965
where: short stacking energy: -390.690
Base-Backbone interact. energy: -2.200
local terms energy: -493.110121
where:
bonds (distance) C4'-P energy: -110.176
bonds (distance) P-C4' energy: -100.451
flat angles C4'-P-C4' energy: -124.638
flat angles P-C4'-P energy: -69.670
tors. eta vs tors. theta energy: -88.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1151.587179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.587179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.587179 (E_RNA)
where:
Base-Base interactions energy: -703.192
where: short stacking energy: -296.380
Base-Backbone interact. energy: -2.031
local terms energy: -446.364430
where:
bonds (distance) C4'-P energy: -100.216
bonds (distance) P-C4' energy: -101.426
flat angles C4'-P-C4' energy: -118.900
flat angles P-C4'-P energy: -69.094
tors. eta vs tors. theta energy: -56.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -896.883352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.883352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.883352 (E_RNA)
where:
Base-Base interactions energy: -517.117
where: short stacking energy: -242.260
Base-Backbone interact. energy: 2.185
local terms energy: -381.951864
where:
bonds (distance) C4'-P energy: -107.829
bonds (distance) P-C4' energy: -124.384
flat angles C4'-P-C4' energy: -88.296
flat angles P-C4'-P energy: -49.191
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -703.798075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.798075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.798075 (E_RNA)
where:
Base-Base interactions energy: -340.126
where: short stacking energy: -210.690
Base-Backbone interact. energy: 1.655
local terms energy: -365.327379
where:
bonds (distance) C4'-P energy: -109.926
bonds (distance) P-C4' energy: -113.073
flat angles C4'-P-C4' energy: -91.878
flat angles P-C4'-P energy: -43.974
tors. eta vs tors. theta energy: -6.476
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: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2263.230045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.230045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.230045 (E_RNA)
where:
Base-Base interactions energy: -1573.133
where: short stacking energy: -645.733
Base-Backbone interact. energy: -3.050
local terms energy: -687.046778
where:
bonds (distance) C4'-P energy: -134.623
bonds (distance) P-C4' energy: -135.406
flat angles C4'-P-C4' energy: -142.400
flat angles P-C4'-P energy: -93.770
tors. eta vs tors. theta energy: -180.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2144.099330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.099330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.099330 (E_RNA)
where:
Base-Base interactions energy: -1446.920
where: short stacking energy: -628.682
Base-Backbone interact. energy: -2.884
local terms energy: -694.295535
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -142.593
flat angles C4'-P-C4' energy: -150.958
flat angles P-C4'-P energy: -106.001
tors. eta vs tors. theta energy: -174.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2062.421113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.421113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.421113 (E_RNA)
where:
Base-Base interactions energy: -1389.244
where: short stacking energy: -574.902
Base-Backbone interact. energy: -2.670
local terms energy: -670.506689
where:
bonds (distance) C4'-P energy: -117.055
bonds (distance) P-C4' energy: -135.872
flat angles C4'-P-C4' energy: -151.707
flat angles P-C4'-P energy: -89.190
tors. eta vs tors. theta energy: -176.682
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: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1796.687879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.687879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.687879 (E_RNA)
where:
Base-Base interactions energy: -1205.880
where: short stacking energy: -484.857
Base-Backbone interact. energy: 1.316
local terms energy: -592.124014
where:
bonds (distance) C4'-P energy: -118.217
bonds (distance) P-C4' energy: -119.209
flat angles C4'-P-C4' energy: -128.927
flat angles P-C4'-P energy: -97.072
tors. eta vs tors. theta energy: -128.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1706.846174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.846174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.846174 (E_RNA)
where:
Base-Base interactions energy: -1150.996
where: short stacking energy: -498.443
Base-Backbone interact. energy: 2.592
local terms energy: -558.442662
where:
bonds (distance) C4'-P energy: -123.797
bonds (distance) P-C4' energy: -106.162
flat angles C4'-P-C4' energy: -132.018
flat angles P-C4'-P energy: -78.834
tors. eta vs tors. theta energy: -117.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1551.964533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.964533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.964533 (E_RNA)
where:
Base-Base interactions energy: -995.202
where: short stacking energy: -444.646
Base-Backbone interact. energy: -1.169
local terms energy: -555.593359
where:
bonds (distance) C4'-P energy: -117.929
bonds (distance) P-C4' energy: -123.719
flat angles C4'-P-C4' energy: -126.976
flat angles P-C4'-P energy: -80.812
tors. eta vs tors. theta energy: -106.158
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1360.607669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.607669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.607669 (E_RNA)
where:
Base-Base interactions energy: -840.779
where: short stacking energy: -424.509
Base-Backbone interact. energy: 0.042
local terms energy: -519.870720
where:
bonds (distance) C4'-P energy: -106.269
bonds (distance) P-C4' energy: -108.320
flat angles C4'-P-C4' energy: -124.482
flat angles P-C4'-P energy: -68.215
tors. eta vs tors. theta energy: -112.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1135.099955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.099955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.099955 (E_RNA)
where:
Base-Base interactions energy: -678.402
where: short stacking energy: -320.481
Base-Backbone interact. energy: 0.756
local terms energy: -457.453583
where:
bonds (distance) C4'-P energy: -97.887
bonds (distance) P-C4' energy: -101.558
flat angles C4'-P-C4' energy: -126.172
flat angles P-C4'-P energy: -68.793
tors. eta vs tors. theta energy: -63.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -880.670774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.670774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.670774 (E_RNA)
where:
Base-Base interactions energy: -478.217
where: short stacking energy: -277.769
Base-Backbone interact. energy: 2.495
local terms energy: -404.948287
where:
bonds (distance) C4'-P energy: -99.169
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -106.229
flat angles P-C4'-P energy: -60.068
tors. eta vs tors. theta energy: -31.779
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: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -732.699091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.699091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.699091 (E_RNA)
where:
Base-Base interactions energy: -377.284
where: short stacking energy: -202.360
Base-Backbone interact. energy: 1.659
local terms energy: -357.073590
where:
bonds (distance) C4'-P energy: -110.382
bonds (distance) P-C4' energy: -115.001
flat angles C4'-P-C4' energy: -87.828
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -0.421
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: 5
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2189.629852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.629852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.629852 (E_RNA)
where:
Base-Base interactions energy: -1497.708
where: short stacking energy: -645.817
Base-Backbone interact. energy: -3.322
local terms energy: -688.599379
where:
bonds (distance) C4'-P energy: -124.471
bonds (distance) P-C4' energy: -139.048
flat angles C4'-P-C4' energy: -144.388
flat angles P-C4'-P energy: -103.706
tors. eta vs tors. theta energy: -176.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2191.357517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.357517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.357517 (E_RNA)
where:
Base-Base interactions energy: -1508.172
where: short stacking energy: -606.708
Base-Backbone interact. energy: -3.942
local terms energy: -679.244223
where:
bonds (distance) C4'-P energy: -133.100
bonds (distance) P-C4' energy: -140.372
flat angles C4'-P-C4' energy: -145.388
flat angles P-C4'-P energy: -81.994
tors. eta vs tors. theta energy: -178.390
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: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2082.778111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.778111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.778111 (E_RNA)
where:
Base-Base interactions energy: -1444.432
where: short stacking energy: -603.331
Base-Backbone interact. energy: -3.363
local terms energy: -634.983199
where:
bonds (distance) C4'-P energy: -127.848
bonds (distance) P-C4' energy: -128.197
flat angles C4'-P-C4' energy: -137.880
flat angles P-C4'-P energy: -83.077
tors. eta vs tors. theta energy: -157.981
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: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1785.138976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.138976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.138976 (E_RNA)
where:
Base-Base interactions energy: -1198.476
where: short stacking energy: -495.778
Base-Backbone interact. energy: -5.288
local terms energy: -581.375146
where:
bonds (distance) C4'-P energy: -113.491
bonds (distance) P-C4' energy: -112.437
flat angles C4'-P-C4' energy: -132.796
flat angles P-C4'-P energy: -86.700
tors. eta vs tors. theta energy: -135.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1664.381554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.381554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.381554 (E_RNA)
where:
Base-Base interactions energy: -1100.977
where: short stacking energy: -503.146
Base-Backbone interact. energy: 3.306
local terms energy: -566.710743
where:
bonds (distance) C4'-P energy: -124.728
bonds (distance) P-C4' energy: -109.417
flat angles C4'-P-C4' energy: -129.892
flat angles P-C4'-P energy: -66.313
tors. eta vs tors. theta energy: -136.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1500.064388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.064388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.064388 (E_RNA)
where:
Base-Base interactions energy: -967.910
where: short stacking energy: -414.677
Base-Backbone interact. energy: -2.451
local terms energy: -529.702432
where:
bonds (distance) C4'-P energy: -111.958
bonds (distance) P-C4' energy: -122.226
flat angles C4'-P-C4' energy: -114.917
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -97.433
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: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1376.979677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.979677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.979677 (E_RNA)
where:
Base-Base interactions energy: -843.698
where: short stacking energy: -384.201
Base-Backbone interact. energy: -4.399
local terms energy: -528.883112
where:
bonds (distance) C4'-P energy: -113.830
bonds (distance) P-C4' energy: -127.241
flat angles C4'-P-C4' energy: -127.483
flat angles P-C4'-P energy: -71.135
tors. eta vs tors. theta energy: -89.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1179.882788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.882788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.882788 (E_RNA)
where:
Base-Base interactions energy: -712.043
where: short stacking energy: -307.890
Base-Backbone interact. energy: -1.232
local terms energy: -466.607959
where:
bonds (distance) C4'-P energy: -106.619
bonds (distance) P-C4' energy: -115.055
flat angles C4'-P-C4' energy: -115.278
flat angles P-C4'-P energy: -69.057
tors. eta vs tors. theta energy: -60.600
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: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -758.053202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.053202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.053202 (E_RNA)
where:
Base-Base interactions energy: -414.634
where: short stacking energy: -211.328
Base-Backbone interact. energy: -3.907
local terms energy: -339.511932
where:
bonds (distance) C4'-P energy: -116.269
bonds (distance) P-C4' energy: -99.120
flat angles C4'-P-C4' energy: -80.471
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -757.414622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.414622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.414622 (E_RNA)
where:
Base-Base interactions energy: -382.844
where: short stacking energy: -206.454
Base-Backbone interact. energy: 1.280
local terms energy: -375.850669
where:
bonds (distance) C4'-P energy: -103.690
bonds (distance) P-C4' energy: -107.234
flat angles C4'-P-C4' energy: -103.082
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2192.376033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.376033 (E_RNA)
where:
Base-Base interactions energy: -1492.626
where: short stacking energy: -609.730
Base-Backbone interact. energy: -5.257
local terms energy: -694.492993
where:
bonds (distance) C4'-P energy: -136.152
bonds (distance) P-C4' energy: -129.119
flat angles C4'-P-C4' energy: -149.273
flat angles P-C4'-P energy: -95.629
tors. eta vs tors. theta energy: -184.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2180.672492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.672492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.672492 (E_RNA)
where:
Base-Base interactions energy: -1502.463
where: short stacking energy: -637.077
Base-Backbone interact. energy: -3.315
local terms energy: -674.894509
where:
bonds (distance) C4'-P energy: -130.276
bonds (distance) P-C4' energy: -139.104
flat angles C4'-P-C4' energy: -133.631
flat angles P-C4'-P energy: -97.643
tors. eta vs tors. theta energy: -174.241
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: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2090.862517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.862517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.862517 (E_RNA)
where:
Base-Base interactions energy: -1439.099
where: short stacking energy: -595.569
Base-Backbone interact. energy: -1.365
local terms energy: -650.398098
where:
bonds (distance) C4'-P energy: -119.078
bonds (distance) P-C4' energy: -135.694
flat angles C4'-P-C4' energy: -141.041
flat angles P-C4'-P energy: -97.539
tors. eta vs tors. theta energy: -157.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1823.900047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.900047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.900047 (E_RNA)
where:
Base-Base interactions energy: -1230.774
where: short stacking energy: -520.725
Base-Backbone interact. energy: -4.843
local terms energy: -588.283459
where:
bonds (distance) C4'-P energy: -111.879
bonds (distance) P-C4' energy: -130.345
flat angles C4'-P-C4' energy: -132.851
flat angles P-C4'-P energy: -86.913
tors. eta vs tors. theta energy: -126.295
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: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1714.143447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.143447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.143447 (E_RNA)
where:
Base-Base interactions energy: -1157.162
where: short stacking energy: -504.471
Base-Backbone interact. energy: -5.191
local terms energy: -551.790129
where:
bonds (distance) C4'-P energy: -106.738
bonds (distance) P-C4' energy: -118.371
flat angles C4'-P-C4' energy: -134.580
flat angles P-C4'-P energy: -73.893
tors. eta vs tors. theta energy: -118.207
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: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1461.004579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.004579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.004579 (E_RNA)
where:
Base-Base interactions energy: -935.370
where: short stacking energy: -428.377
Base-Backbone interact. energy: -1.673
local terms energy: -523.961380
where:
bonds (distance) C4'-P energy: -105.414
bonds (distance) P-C4' energy: -125.860
flat angles C4'-P-C4' energy: -129.954
flat angles P-C4'-P energy: -72.172
tors. eta vs tors. theta energy: -90.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1466.068896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.068896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.068896 (E_RNA)
where:
Base-Base interactions energy: -963.728
where: short stacking energy: -424.149
Base-Backbone interact. energy: -0.098
local terms energy: -502.242577
where:
bonds (distance) C4'-P energy: -102.611
bonds (distance) P-C4' energy: -93.518
flat angles C4'-P-C4' energy: -129.742
flat angles P-C4'-P energy: -77.091
tors. eta vs tors. theta energy: -99.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1199.517679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.517679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.517679 (E_RNA)
where:
Base-Base interactions energy: -730.096
where: short stacking energy: -352.206
Base-Backbone interact. energy: -2.256
local terms energy: -467.165324
where:
bonds (distance) C4'-P energy: -106.286
bonds (distance) P-C4' energy: -132.013
flat angles C4'-P-C4' energy: -102.515
flat angles P-C4'-P energy: -62.320
tors. eta vs tors. theta energy: -64.032
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: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -718.471502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.471502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.471502 (E_RNA)
where:
Base-Base interactions energy: -331.619
where: short stacking energy: -218.536
Base-Backbone interact. energy: 0.205
local terms energy: -387.057648
where:
bonds (distance) C4'-P energy: -107.790
bonds (distance) P-C4' energy: -107.347
flat angles C4'-P-C4' energy: -93.533
flat angles P-C4'-P energy: -71.207
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -787.009889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.009889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.009889 (E_RNA)
where:
Base-Base interactions energy: -401.836
where: short stacking energy: -214.855
Base-Backbone interact. energy: -2.026
local terms energy: -383.147725
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -122.639
flat angles C4'-P-C4' energy: -81.566
flat angles P-C4'-P energy: -63.744
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2197.184509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.184509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.184509 (E_RNA)
where:
Base-Base interactions energy: -1511.906
where: short stacking energy: -630.012
Base-Backbone interact. energy: -3.120
local terms energy: -682.159159
where:
bonds (distance) C4'-P energy: -121.755
bonds (distance) P-C4' energy: -136.517
flat angles C4'-P-C4' energy: -141.853
flat angles P-C4'-P energy: -96.357
tors. eta vs tors. theta energy: -185.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2156.549433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.549433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.549433 (E_RNA)
where:
Base-Base interactions energy: -1500.325
where: short stacking energy: -615.808
Base-Backbone interact. energy: -1.069
local terms energy: -655.155073
where:
bonds (distance) C4'-P energy: -136.921
bonds (distance) P-C4' energy: -116.187
flat angles C4'-P-C4' energy: -145.287
flat angles P-C4'-P energy: -85.794
tors. eta vs tors. theta energy: -170.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2095.946876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.946876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.946876 (E_RNA)
where:
Base-Base interactions energy: -1459.072
where: short stacking energy: -605.867
Base-Backbone interact. energy: -2.502
local terms energy: -634.372902
where:
bonds (distance) C4'-P energy: -117.613
bonds (distance) P-C4' energy: -124.452
flat angles C4'-P-C4' energy: -136.304
flat angles P-C4'-P energy: -95.199
tors. eta vs tors. theta energy: -160.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1817.456539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.456539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.456539 (E_RNA)
where:
Base-Base interactions energy: -1235.647
where: short stacking energy: -495.325
Base-Backbone interact. energy: -3.493
local terms energy: -578.316233
where:
bonds (distance) C4'-P energy: -114.968
bonds (distance) P-C4' energy: -119.444
flat angles C4'-P-C4' energy: -131.286
flat angles P-C4'-P energy: -86.696
tors. eta vs tors. theta energy: -125.922
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: 106
Temperature: 1.100000
Total energy: -1740.881315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.881315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.881315 (E_RNA)
where:
Base-Base interactions energy: -1163.628
where: short stacking energy: -532.848
Base-Backbone interact. energy: 2.733
local terms energy: -579.985919
where:
bonds (distance) C4'-P energy: -112.401
bonds (distance) P-C4' energy: -123.614
flat angles C4'-P-C4' energy: -128.820
flat angles P-C4'-P energy: -81.834
tors. eta vs tors. theta energy: -133.317
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: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1498.519278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.519278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.519278 (E_RNA)
where:
Base-Base interactions energy: -1007.077
where: short stacking energy: -446.557
Base-Backbone interact. energy: -3.053
local terms energy: -488.388457
where:
bonds (distance) C4'-P energy: -104.324
bonds (distance) P-C4' energy: -105.013
flat angles C4'-P-C4' energy: -122.366
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -90.428
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: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1347.566788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.566788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.566788 (E_RNA)
where:
Base-Base interactions energy: -841.943
where: short stacking energy: -360.710
Base-Backbone interact. energy: 2.470
local terms energy: -508.093095
where:
bonds (distance) C4'-P energy: -111.966
bonds (distance) P-C4' energy: -114.135
flat angles C4'-P-C4' energy: -118.369
flat angles P-C4'-P energy: -90.719
tors. eta vs tors. theta energy: -72.904
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: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1158.461330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.461330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.461330 (E_RNA)
where:
Base-Base interactions energy: -710.024
where: short stacking energy: -343.783
Base-Backbone interact. energy: 1.041
local terms energy: -449.478039
where:
bonds (distance) C4'-P energy: -91.775
bonds (distance) P-C4' energy: -120.532
flat angles C4'-P-C4' energy: -114.035
flat angles P-C4'-P energy: -58.539
tors. eta vs tors. theta energy: -64.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -806.188542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.188542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.188542 (E_RNA)
where:
Base-Base interactions energy: -435.305
where: short stacking energy: -210.743
Base-Backbone interact. energy: 1.183
local terms energy: -372.067094
where:
bonds (distance) C4'-P energy: -99.595
bonds (distance) P-C4' energy: -108.021
flat angles C4'-P-C4' energy: -111.203
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -684.370968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.370968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.370968 (E_RNA)
where:
Base-Base interactions energy: -346.582
where: short stacking energy: -199.048
Base-Backbone interact. energy: 3.383
local terms energy: -341.172715
where:
bonds (distance) C4'-P energy: -97.723
bonds (distance) P-C4' energy: -99.882
flat angles C4'-P-C4' energy: -81.436
flat angles P-C4'-P energy: -66.498
tors. eta vs tors. theta energy: 4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2190.320418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.320418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.320418 (E_RNA)
where:
Base-Base interactions energy: -1521.227
where: short stacking energy: -614.533
Base-Backbone interact. energy: -4.774
local terms energy: -664.319031
where:
bonds (distance) C4'-P energy: -124.182
bonds (distance) P-C4' energy: -134.357
flat angles C4'-P-C4' energy: -142.482
flat angles P-C4'-P energy: -90.303
tors. eta vs tors. theta energy: -172.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2158.699311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.699311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.699311 (E_RNA)
where:
Base-Base interactions energy: -1497.449
where: short stacking energy: -645.926
Base-Backbone interact. energy: -3.130
local terms energy: -658.120249
where:
bonds (distance) C4'-P energy: -127.522
bonds (distance) P-C4' energy: -111.239
flat angles C4'-P-C4' energy: -140.967
flat angles P-C4'-P energy: -103.573
tors. eta vs tors. theta energy: -174.819
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: 107
Temperature: 1.000000
Total energy: -2097.221519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.221519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.221519 (E_RNA)
where:
Base-Base interactions energy: -1456.622
where: short stacking energy: -608.833
Base-Backbone interact. energy: -1.186
local terms energy: -639.412814
where:
bonds (distance) C4'-P energy: -106.717
bonds (distance) P-C4' energy: -121.239
flat angles C4'-P-C4' energy: -151.477
flat angles P-C4'-P energy: -106.305
tors. eta vs tors. theta energy: -153.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1798.183977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.183977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.183977 (E_RNA)
where:
Base-Base interactions energy: -1214.708
where: short stacking energy: -491.879
Base-Backbone interact. energy: 0.859
local terms energy: -584.334712
where:
bonds (distance) C4'-P energy: -112.389
bonds (distance) P-C4' energy: -143.491
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -73.038
tors. eta vs tors. theta energy: -129.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1760.362862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.362862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.362862 (E_RNA)
where:
Base-Base interactions energy: -1166.557
where: short stacking energy: -518.758
Base-Backbone interact. energy: -0.320
local terms energy: -593.485712
where:
bonds (distance) C4'-P energy: -122.761
bonds (distance) P-C4' energy: -122.696
flat angles C4'-P-C4' energy: -144.070
flat angles P-C4'-P energy: -78.278
tors. eta vs tors. theta energy: -125.680
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1537.455026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.455026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.455026 (E_RNA)
where:
Base-Base interactions energy: -1034.172
where: short stacking energy: -459.297
Base-Backbone interact. energy: -0.501
local terms energy: -502.781598
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -109.159
flat angles C4'-P-C4' energy: -119.908
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -98.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1323.325964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.325964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.325964 (E_RNA)
where:
Base-Base interactions energy: -841.601
where: short stacking energy: -356.929
Base-Backbone interact. energy: -0.623
local terms energy: -481.101959
where:
bonds (distance) C4'-P energy: -113.681
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -124.218
flat angles P-C4'-P energy: -52.848
tors. eta vs tors. theta energy: -70.048
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: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1110.849177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.849177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.849177 (E_RNA)
where:
Base-Base interactions energy: -679.825
where: short stacking energy: -349.910
Base-Backbone interact. energy: 1.487
local terms energy: -432.511517
where:
bonds (distance) C4'-P energy: -101.717
bonds (distance) P-C4' energy: -114.615
flat angles C4'-P-C4' energy: -102.312
flat angles P-C4'-P energy: -61.946
tors. eta vs tors. theta energy: -51.921
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: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -851.450709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.450709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.450709 (E_RNA)
where:
Base-Base interactions energy: -464.483
where: short stacking energy: -259.530
Base-Backbone interact. energy: -1.108
local terms energy: -385.859444
where:
bonds (distance) C4'-P energy: -109.974
bonds (distance) P-C4' energy: -109.543
flat angles C4'-P-C4' energy: -83.920
flat angles P-C4'-P energy: -61.559
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -637.659305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.659305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.659305 (E_RNA)
where:
Base-Base interactions energy: -314.054
where: short stacking energy: -195.815
Base-Backbone interact. energy: -1.587
local terms energy: -322.017786
where:
bonds (distance) C4'-P energy: -113.551
bonds (distance) P-C4' energy: -100.986
flat angles C4'-P-C4' energy: -66.321
flat angles P-C4'-P energy: -51.001
tors. eta vs tors. theta energy: 9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2195.329758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.329758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.329758 (E_RNA)
where:
Base-Base interactions energy: -1535.684
where: short stacking energy: -600.283
Base-Backbone interact. energy: 2.920
local terms energy: -662.565308
where:
bonds (distance) C4'-P energy: -129.311
bonds (distance) P-C4' energy: -126.470
flat angles C4'-P-C4' energy: -154.176
flat angles P-C4'-P energy: -91.364
tors. eta vs tors. theta energy: -161.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2176.351590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.351590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.351590 (E_RNA)
where:
Base-Base interactions energy: -1502.963
where: short stacking energy: -619.944
Base-Backbone interact. energy: -2.885
local terms energy: -670.503248
where:
bonds (distance) C4'-P energy: -125.968
bonds (distance) P-C4' energy: -130.929
flat angles C4'-P-C4' energy: -136.020
flat angles P-C4'-P energy: -111.357
tors. eta vs tors. theta energy: -166.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2082.502650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.502650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.502650 (E_RNA)
where:
Base-Base interactions energy: -1446.450
where: short stacking energy: -597.447
Base-Backbone interact. energy: -3.083
local terms energy: -632.970344
where:
bonds (distance) C4'-P energy: -100.143
bonds (distance) P-C4' energy: -129.271
flat angles C4'-P-C4' energy: -134.123
flat angles P-C4'-P energy: -99.827
tors. eta vs tors. theta energy: -169.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1721.924204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.924204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.924204 (E_RNA)
where:
Base-Base interactions energy: -1144.114
where: short stacking energy: -496.698
Base-Backbone interact. energy: -3.097
local terms energy: -574.713524
where:
bonds (distance) C4'-P energy: -123.067
bonds (distance) P-C4' energy: -126.415
flat angles C4'-P-C4' energy: -136.043
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -116.042
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: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1761.538411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.538411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.538411 (E_RNA)
where:
Base-Base interactions energy: -1197.587
where: short stacking energy: -518.451
Base-Backbone interact. energy: -5.267
local terms energy: -558.683984
where:
bonds (distance) C4'-P energy: -113.941
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -119.609
flat angles P-C4'-P energy: -82.259
tors. eta vs tors. theta energy: -127.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1492.406616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.406616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.406616 (E_RNA)
where:
Base-Base interactions energy: -977.122
where: short stacking energy: -429.193
Base-Backbone interact. energy: -3.525
local terms energy: -511.759413
where:
bonds (distance) C4'-P energy: -103.752
bonds (distance) P-C4' energy: -129.948
flat angles C4'-P-C4' energy: -133.010
flat angles P-C4'-P energy: -56.766
tors. eta vs tors. theta energy: -88.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1376.684971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.684971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.684971 (E_RNA)
where:
Base-Base interactions energy: -890.946
where: short stacking energy: -394.613
Base-Backbone interact. energy: -2.291
local terms energy: -483.448615
where:
bonds (distance) C4'-P energy: -113.682
bonds (distance) P-C4' energy: -104.607
flat angles C4'-P-C4' energy: -109.509
flat angles P-C4'-P energy: -68.383
tors. eta vs tors. theta energy: -87.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1102.433400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.433400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.433400 (E_RNA)
where:
Base-Base interactions energy: -665.691
where: short stacking energy: -324.556
Base-Backbone interact. energy: -2.992
local terms energy: -433.750559
where:
bonds (distance) C4'-P energy: -116.895
bonds (distance) P-C4' energy: -105.634
flat angles C4'-P-C4' energy: -102.125
flat angles P-C4'-P energy: -72.700
tors. eta vs tors. theta energy: -36.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -796.398244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.398244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.398244 (E_RNA)
where:
Base-Base interactions energy: -411.266
where: short stacking energy: -214.782
Base-Backbone interact. energy: 7.573
local terms energy: -392.705476
where:
bonds (distance) C4'-P energy: -107.093
bonds (distance) P-C4' energy: -108.463
flat angles C4'-P-C4' energy: -110.655
flat angles P-C4'-P energy: -62.101
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -683.052036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.052036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.052036 (E_RNA)
where:
Base-Base interactions energy: -300.908
where: short stacking energy: -182.578
Base-Backbone interact. energy: 1.015
local terms energy: -383.159659
where:
bonds (distance) C4'-P energy: -118.406
bonds (distance) P-C4' energy: -121.793
flat angles C4'-P-C4' energy: -104.136
flat angles P-C4'-P energy: -45.407
tors. eta vs tors. theta energy: 6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2206.556418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.556418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.556418 (E_RNA)
where:
Base-Base interactions energy: -1538.564
where: short stacking energy: -640.515
Base-Backbone interact. energy: -5.578
local terms energy: -662.414893
where:
bonds (distance) C4'-P energy: -126.543
bonds (distance) P-C4' energy: -130.287
flat angles C4'-P-C4' energy: -142.058
flat angles P-C4'-P energy: -94.159
tors. eta vs tors. theta energy: -169.368
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: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2144.269416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.269416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.269416 (E_RNA)
where:
Base-Base interactions energy: -1477.302
where: short stacking energy: -635.419
Base-Backbone interact. energy: -3.412
local terms energy: -663.554963
where:
bonds (distance) C4'-P energy: -129.113
bonds (distance) P-C4' energy: -127.496
flat angles C4'-P-C4' energy: -142.873
flat angles P-C4'-P energy: -87.431
tors. eta vs tors. theta energy: -176.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2077.704700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.704700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.704700 (E_RNA)
where:
Base-Base interactions energy: -1439.767
where: short stacking energy: -595.192
Base-Backbone interact. energy: 0.469
local terms energy: -638.407417
where:
bonds (distance) C4'-P energy: -120.116
bonds (distance) P-C4' energy: -121.670
flat angles C4'-P-C4' energy: -145.509
flat angles P-C4'-P energy: -88.586
tors. eta vs tors. theta energy: -162.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1885.009703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.009703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.009703 (E_RNA)
where:
Base-Base interactions energy: -1267.637
where: short stacking energy: -568.183
Base-Backbone interact. energy: -0.612
local terms energy: -616.760508
where:
bonds (distance) C4'-P energy: -130.089
bonds (distance) P-C4' energy: -107.875
flat angles C4'-P-C4' energy: -134.669
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -161.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1734.817981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.817981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.817981 (E_RNA)
where:
Base-Base interactions energy: -1158.181
where: short stacking energy: -493.374
Base-Backbone interact. energy: -1.819
local terms energy: -574.818215
where:
bonds (distance) C4'-P energy: -117.619
bonds (distance) P-C4' energy: -109.895
flat angles C4'-P-C4' energy: -147.170
flat angles P-C4'-P energy: -80.115
tors. eta vs tors. theta energy: -120.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1510.244957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.244957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.244957 (E_RNA)
where:
Base-Base interactions energy: -989.988
where: short stacking energy: -468.390
Base-Backbone interact. energy: -3.001
local terms energy: -517.255773
where:
bonds (distance) C4'-P energy: -115.198
bonds (distance) P-C4' energy: -117.373
flat angles C4'-P-C4' energy: -114.602
flat angles P-C4'-P energy: -59.595
tors. eta vs tors. theta energy: -110.487
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: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1386.496984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.496984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.496984 (E_RNA)
where:
Base-Base interactions energy: -887.354
where: short stacking energy: -393.276
Base-Backbone interact. energy: -2.465
local terms energy: -496.677567
where:
bonds (distance) C4'-P energy: -94.577
bonds (distance) P-C4' energy: -118.801
flat angles C4'-P-C4' energy: -115.178
flat angles P-C4'-P energy: -80.218
tors. eta vs tors. theta energy: -87.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1112.897541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.897541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.897541 (E_RNA)
where:
Base-Base interactions energy: -661.697
where: short stacking energy: -316.340
Base-Backbone interact. energy: -1.558
local terms energy: -449.643035
where:
bonds (distance) C4'-P energy: -126.389
bonds (distance) P-C4' energy: -107.983
flat angles C4'-P-C4' energy: -100.743
flat angles P-C4'-P energy: -70.492
tors. eta vs tors. theta energy: -44.036
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: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -830.641677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.641677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.641677 (E_RNA)
where:
Base-Base interactions energy: -438.683
where: short stacking energy: -251.464
Base-Backbone interact. energy: -0.178
local terms energy: -391.780071
where:
bonds (distance) C4'-P energy: -79.368
bonds (distance) P-C4' energy: -114.684
flat angles C4'-P-C4' energy: -115.477
flat angles P-C4'-P energy: -59.370
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -663.384678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.384678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.384678 (E_RNA)
where:
Base-Base interactions energy: -328.927
where: short stacking energy: -198.133
Base-Backbone interact. energy: -0.052
local terms energy: -334.405457
where:
bonds (distance) C4'-P energy: -109.527
bonds (distance) P-C4' energy: -100.007
flat angles C4'-P-C4' energy: -71.531
flat angles P-C4'-P energy: -63.362
tors. eta vs tors. theta energy: 10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2224.929320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.929320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.929320 (E_RNA)
where:
Base-Base interactions energy: -1545.466
where: short stacking energy: -648.227
Base-Backbone interact. energy: -2.435
local terms energy: -677.028792
where:
bonds (distance) C4'-P energy: -123.848
bonds (distance) P-C4' energy: -138.874
flat angles C4'-P-C4' energy: -137.120
flat angles P-C4'-P energy: -95.935
tors. eta vs tors. theta energy: -181.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2148.242503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.242503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.242503 (E_RNA)
where:
Base-Base interactions energy: -1495.113
where: short stacking energy: -599.749
Base-Backbone interact. energy: -3.379
local terms energy: -649.751223
where:
bonds (distance) C4'-P energy: -139.505
bonds (distance) P-C4' energy: -111.066
flat angles C4'-P-C4' energy: -143.561
flat angles P-C4'-P energy: -92.840
tors. eta vs tors. theta energy: -162.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2081.404806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.404806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.404806 (E_RNA)
where:
Base-Base interactions energy: -1434.213
where: short stacking energy: -577.329
Base-Backbone interact. energy: -3.511
local terms energy: -643.681035
where:
bonds (distance) C4'-P energy: -124.471
bonds (distance) P-C4' energy: -133.997
flat angles C4'-P-C4' energy: -137.492
flat angles P-C4'-P energy: -83.334
tors. eta vs tors. theta energy: -164.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1850.691056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.691056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.691056 (E_RNA)
where:
Base-Base interactions energy: -1239.147
where: short stacking energy: -560.596
Base-Backbone interact. energy: 3.200
local terms energy: -614.743103
where:
bonds (distance) C4'-P energy: -122.489
bonds (distance) P-C4' energy: -118.363
flat angles C4'-P-C4' energy: -136.397
flat angles P-C4'-P energy: -86.628
tors. eta vs tors. theta energy: -150.866
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: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1759.291724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.291724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.291724 (E_RNA)
where:
Base-Base interactions energy: -1209.248
where: short stacking energy: -507.319
Base-Backbone interact. energy: -2.919
local terms energy: -547.124254
where:
bonds (distance) C4'-P energy: -115.452
bonds (distance) P-C4' energy: -120.918
flat angles C4'-P-C4' energy: -124.567
flat angles P-C4'-P energy: -73.626
tors. eta vs tors. theta energy: -112.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1495.642263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.642263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.642263 (E_RNA)
where:
Base-Base interactions energy: -977.862
where: short stacking energy: -448.063
Base-Backbone interact. energy: -3.158
local terms energy: -514.622260
where:
bonds (distance) C4'-P energy: -102.464
bonds (distance) P-C4' energy: -131.032
flat angles C4'-P-C4' energy: -116.120
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -90.567
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: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1371.985965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.985965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.985965 (E_RNA)
where:
Base-Base interactions energy: -862.694
where: short stacking energy: -412.263
Base-Backbone interact. energy: 0.657
local terms energy: -509.949092
where:
bonds (distance) C4'-P energy: -97.690
bonds (distance) P-C4' energy: -117.210
flat angles C4'-P-C4' energy: -120.947
flat angles P-C4'-P energy: -77.092
tors. eta vs tors. theta energy: -97.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1164.823882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.823882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.823882 (E_RNA)
where:
Base-Base interactions energy: -702.307
where: short stacking energy: -354.112
Base-Backbone interact. energy: -4.625
local terms energy: -457.892137
where:
bonds (distance) C4'-P energy: -98.873
bonds (distance) P-C4' energy: -116.081
flat angles C4'-P-C4' energy: -102.980
flat angles P-C4'-P energy: -74.367
tors. eta vs tors. theta energy: -65.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -890.061731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.061731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.061731 (E_RNA)
where:
Base-Base interactions energy: -489.299
where: short stacking energy: -288.773
Base-Backbone interact. energy: -1.292
local terms energy: -399.470542
where:
bonds (distance) C4'-P energy: -99.104
bonds (distance) P-C4' energy: -115.541
flat angles C4'-P-C4' energy: -108.535
flat angles P-C4'-P energy: -53.998
tors. eta vs tors. theta energy: -22.292
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: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -689.820140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.820140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.820140 (E_RNA)
where:
Base-Base interactions energy: -323.034
where: short stacking energy: -189.713
Base-Backbone interact. energy: 0.251
local terms energy: -367.037662
where:
bonds (distance) C4'-P energy: -109.694
bonds (distance) P-C4' energy: -118.133
flat angles C4'-P-C4' energy: -87.586
flat angles P-C4'-P energy: -48.276
tors. eta vs tors. theta energy: -3.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2220.371736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.371736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.371736 (E_RNA)
where:
Base-Base interactions energy: -1535.270
where: short stacking energy: -637.707
Base-Backbone interact. energy: -6.821
local terms energy: -678.280219
where:
bonds (distance) C4'-P energy: -132.862
bonds (distance) P-C4' energy: -133.391
flat angles C4'-P-C4' energy: -147.396
flat angles P-C4'-P energy: -89.036
tors. eta vs tors. theta energy: -175.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2188.818507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.818507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.818507 (E_RNA)
where:
Base-Base interactions energy: -1519.556
where: short stacking energy: -615.328
Base-Backbone interact. energy: -2.063
local terms energy: -667.199349
where:
bonds (distance) C4'-P energy: -134.529
bonds (distance) P-C4' energy: -126.346
flat angles C4'-P-C4' energy: -145.528
flat angles P-C4'-P energy: -94.321
tors. eta vs tors. theta energy: -166.475
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: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2060.893967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.893967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.893967 (E_RNA)
where:
Base-Base interactions energy: -1421.681
where: short stacking energy: -610.174
Base-Backbone interact. energy: -3.572
local terms energy: -635.640405
where:
bonds (distance) C4'-P energy: -121.650
bonds (distance) P-C4' energy: -103.468
flat angles C4'-P-C4' energy: -148.679
flat angles P-C4'-P energy: -97.246
tors. eta vs tors. theta energy: -164.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1841.864474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.864474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.864474 (E_RNA)
where:
Base-Base interactions energy: -1227.923
where: short stacking energy: -540.017
Base-Backbone interact. energy: -2.257
local terms energy: -611.684177
where:
bonds (distance) C4'-P energy: -117.605
bonds (distance) P-C4' energy: -125.876
flat angles C4'-P-C4' energy: -126.211
flat angles P-C4'-P energy: -89.460
tors. eta vs tors. theta energy: -152.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1789.742141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.742141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.742141 (E_RNA)
where:
Base-Base interactions energy: -1215.064
where: short stacking energy: -489.229
Base-Backbone interact. energy: 3.316
local terms energy: -577.993877
where:
bonds (distance) C4'-P energy: -120.866
bonds (distance) P-C4' energy: -129.865
flat angles C4'-P-C4' energy: -125.577
flat angles P-C4'-P energy: -88.375
tors. eta vs tors. theta energy: -113.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1452.073826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.073826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.073826 (E_RNA)
where:
Base-Base interactions energy: -933.059
where: short stacking energy: -402.883
Base-Backbone interact. energy: -4.469
local terms energy: -514.545589
where:
bonds (distance) C4'-P energy: -119.947
bonds (distance) P-C4' energy: -113.989
flat angles C4'-P-C4' energy: -118.155
flat angles P-C4'-P energy: -78.612
tors. eta vs tors. theta energy: -83.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1350.704110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.704110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.704110 (E_RNA)
where:
Base-Base interactions energy: -829.210
where: short stacking energy: -373.663
Base-Backbone interact. energy: -3.689
local terms energy: -517.805554
where:
bonds (distance) C4'-P energy: -113.956
bonds (distance) P-C4' energy: -119.738
flat angles C4'-P-C4' energy: -126.633
flat angles P-C4'-P energy: -80.762
tors. eta vs tors. theta energy: -76.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1145.361354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.361354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.361354 (E_RNA)
where:
Base-Base interactions energy: -687.142
where: short stacking energy: -318.193
Base-Backbone interact. energy: 0.224
local terms energy: -458.443953
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -111.660
flat angles C4'-P-C4' energy: -126.042
flat angles P-C4'-P energy: -64.709
tors. eta vs tors. theta energy: -56.790
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: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -879.358543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.358543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.358543 (E_RNA)
where:
Base-Base interactions energy: -495.081
where: short stacking energy: -269.960
Base-Backbone interact. energy: -1.075
local terms energy: -383.201974
where:
bonds (distance) C4'-P energy: -105.264
bonds (distance) P-C4' energy: -85.890
flat angles C4'-P-C4' energy: -95.550
flat angles P-C4'-P energy: -54.911
tors. eta vs tors. theta energy: -41.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -651.714653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.714653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.714653 (E_RNA)
where:
Base-Base interactions energy: -292.824
where: short stacking energy: -188.811
Base-Backbone interact. energy: 6.138
local terms energy: -365.028638
where:
bonds (distance) C4'-P energy: -108.672
bonds (distance) P-C4' energy: -111.019
flat angles C4'-P-C4' energy: -94.409
flat angles P-C4'-P energy: -61.362
tors. eta vs tors. theta energy: 10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2213.163769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.163769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.163769 (E_RNA)
where:
Base-Base interactions energy: -1559.888
where: short stacking energy: -624.758
Base-Backbone interact. energy: -5.544
local terms energy: -647.731191
where:
bonds (distance) C4'-P energy: -123.369
bonds (distance) P-C4' energy: -115.124
flat angles C4'-P-C4' energy: -137.911
flat angles P-C4'-P energy: -102.799
tors. eta vs tors. theta energy: -168.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2156.760813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.760813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.760813 (E_RNA)
where:
Base-Base interactions energy: -1474.719
where: short stacking energy: -639.305
Base-Backbone interact. energy: -1.960
local terms energy: -680.081920
where:
bonds (distance) C4'-P energy: -132.629
bonds (distance) P-C4' energy: -128.239
flat angles C4'-P-C4' energy: -148.891
flat angles P-C4'-P energy: -87.845
tors. eta vs tors. theta energy: -182.479
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: 112
Temperature: 1.000000
Total energy: -2076.544322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.544322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.544322 (E_RNA)
where:
Base-Base interactions energy: -1429.567
where: short stacking energy: -592.109
Base-Backbone interact. energy: -1.075
local terms energy: -645.901683
where:
bonds (distance) C4'-P energy: -131.829
bonds (distance) P-C4' energy: -131.129
flat angles C4'-P-C4' energy: -139.559
flat angles P-C4'-P energy: -88.388
tors. eta vs tors. theta energy: -154.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1925.782548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.782548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.782548 (E_RNA)
where:
Base-Base interactions energy: -1276.600
where: short stacking energy: -556.998
Base-Backbone interact. energy: -2.041
local terms energy: -647.141770
where:
bonds (distance) C4'-P energy: -128.157
bonds (distance) P-C4' energy: -126.770
flat angles C4'-P-C4' energy: -140.675
flat angles P-C4'-P energy: -88.952
tors. eta vs tors. theta energy: -162.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1786.404714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.404714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.404714 (E_RNA)
where:
Base-Base interactions energy: -1213.756
where: short stacking energy: -505.606
Base-Backbone interact. energy: 0.190
local terms energy: -572.839499
where:
bonds (distance) C4'-P energy: -120.791
bonds (distance) P-C4' energy: -126.574
flat angles C4'-P-C4' energy: -121.803
flat angles P-C4'-P energy: -87.976
tors. eta vs tors. theta energy: -115.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1564.124388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.124388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.124388 (E_RNA)
where:
Base-Base interactions energy: -1033.288
where: short stacking energy: -443.343
Base-Backbone interact. energy: -2.663
local terms energy: -528.173154
where:
bonds (distance) C4'-P energy: -120.702
bonds (distance) P-C4' energy: -122.295
flat angles C4'-P-C4' energy: -108.240
flat angles P-C4'-P energy: -80.314
tors. eta vs tors. theta energy: -96.622
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1453.080486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.080486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.080486 (E_RNA)
where:
Base-Base interactions energy: -927.696
where: short stacking energy: -432.976
Base-Backbone interact. energy: -1.076
local terms energy: -524.308518
where:
bonds (distance) C4'-P energy: -108.067
bonds (distance) P-C4' energy: -121.109
flat angles C4'-P-C4' energy: -127.456
flat angles P-C4'-P energy: -65.335
tors. eta vs tors. theta energy: -102.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1082.746837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.746837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.746837 (E_RNA)
where:
Base-Base interactions energy: -671.404
where: short stacking energy: -310.223
Base-Backbone interact. energy: -3.014
local terms energy: -408.328986
where:
bonds (distance) C4'-P energy: -108.654
bonds (distance) P-C4' energy: -102.178
flat angles C4'-P-C4' energy: -113.225
flat angles P-C4'-P energy: -71.054
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -891.656727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.656727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.656727 (E_RNA)
where:
Base-Base interactions energy: -526.643
where: short stacking energy: -269.151
Base-Backbone interact. energy: -0.865
local terms energy: -364.148768
where:
bonds (distance) C4'-P energy: -104.377
bonds (distance) P-C4' energy: -109.101
flat angles C4'-P-C4' energy: -77.341
flat angles P-C4'-P energy: -44.826
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -676.523990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.523990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.523990 (E_RNA)
where:
Base-Base interactions energy: -325.408
where: short stacking energy: -179.395
Base-Backbone interact. energy: -1.933
local terms energy: -349.183396
where:
bonds (distance) C4'-P energy: -114.864
bonds (distance) P-C4' energy: -122.517
flat angles C4'-P-C4' energy: -88.815
flat angles P-C4'-P energy: -38.205
tors. eta vs tors. theta energy: 15.218
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: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2237.442610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.442610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.442610 (E_RNA)
where:
Base-Base interactions energy: -1542.550
where: short stacking energy: -653.630
Base-Backbone interact. energy: 0.492
local terms energy: -695.384719
where:
bonds (distance) C4'-P energy: -124.588
bonds (distance) P-C4' energy: -136.950
flat angles C4'-P-C4' energy: -161.338
flat angles P-C4'-P energy: -92.949
tors. eta vs tors. theta energy: -179.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2161.090646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.090646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.090646 (E_RNA)
where:
Base-Base interactions energy: -1493.685
where: short stacking energy: -644.750
Base-Backbone interact. energy: -3.531
local terms energy: -663.875001
where:
bonds (distance) C4'-P energy: -137.795
bonds (distance) P-C4' energy: -119.592
flat angles C4'-P-C4' energy: -141.288
flat angles P-C4'-P energy: -91.846
tors. eta vs tors. theta energy: -173.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2065.088814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.088814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.088814 (E_RNA)
where:
Base-Base interactions energy: -1419.461
where: short stacking energy: -589.197
Base-Backbone interact. energy: -3.082
local terms energy: -642.545836
where:
bonds (distance) C4'-P energy: -118.906
bonds (distance) P-C4' energy: -129.258
flat angles C4'-P-C4' energy: -139.233
flat angles P-C4'-P energy: -95.279
tors. eta vs tors. theta energy: -159.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1896.900809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.900809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.900809 (E_RNA)
where:
Base-Base interactions energy: -1296.859
where: short stacking energy: -565.101
Base-Backbone interact. energy: 4.065
local terms energy: -604.106106
where:
bonds (distance) C4'-P energy: -124.024
bonds (distance) P-C4' energy: -126.425
flat angles C4'-P-C4' energy: -127.331
flat angles P-C4'-P energy: -91.195
tors. eta vs tors. theta energy: -135.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1765.990293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.990293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.990293 (E_RNA)
where:
Base-Base interactions energy: -1229.842
where: short stacking energy: -507.060
Base-Backbone interact. energy: -4.490
local terms energy: -531.658435
where:
bonds (distance) C4'-P energy: -103.411
bonds (distance) P-C4' energy: -119.034
flat angles C4'-P-C4' energy: -118.427
flat angles P-C4'-P energy: -74.832
tors. eta vs tors. theta energy: -115.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1559.453344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.453344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.453344 (E_RNA)
where:
Base-Base interactions energy: -1011.466
where: short stacking energy: -468.993
Base-Backbone interact. energy: -3.148
local terms energy: -544.840020
where:
bonds (distance) C4'-P energy: -105.424
bonds (distance) P-C4' energy: -117.838
flat angles C4'-P-C4' energy: -136.041
flat angles P-C4'-P energy: -74.408
tors. eta vs tors. theta energy: -111.129
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: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1410.364840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.364840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.364840 (E_RNA)
where:
Base-Base interactions energy: -889.144
where: short stacking energy: -422.559
Base-Backbone interact. energy: -0.207
local terms energy: -521.013887
where:
bonds (distance) C4'-P energy: -127.404
bonds (distance) P-C4' energy: -115.375
flat angles C4'-P-C4' energy: -116.489
flat angles P-C4'-P energy: -69.612
tors. eta vs tors. theta energy: -92.134
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: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1024.789400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.789400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.789400 (E_RNA)
where:
Base-Base interactions energy: -613.626
where: short stacking energy: -300.005
Base-Backbone interact. energy: 0.815
local terms energy: -411.978054
where:
bonds (distance) C4'-P energy: -110.837
bonds (distance) P-C4' energy: -105.616
flat angles C4'-P-C4' energy: -98.561
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -30.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -867.106780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.106780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.106780 (E_RNA)
where:
Base-Base interactions energy: -461.163
where: short stacking energy: -250.653
Base-Backbone interact. energy: 6.227
local terms energy: -412.170494
where:
bonds (distance) C4'-P energy: -101.753
bonds (distance) P-C4' energy: -108.825
flat angles C4'-P-C4' energy: -110.895
flat angles P-C4'-P energy: -77.635
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -618.083171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.083171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.083171 (E_RNA)
where:
Base-Base interactions energy: -293.438
where: short stacking energy: -192.390
Base-Backbone interact. energy: -1.910
local terms energy: -322.734842
where:
bonds (distance) C4'-P energy: -90.474
bonds (distance) P-C4' energy: -121.824
flat angles C4'-P-C4' energy: -74.700
flat angles P-C4'-P energy: -54.719
tors. eta vs tors. theta energy: 18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2221.275181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.275181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.275181 (E_RNA)
where:
Base-Base interactions energy: -1534.438
where: short stacking energy: -621.861
Base-Backbone interact. energy: -0.321
local terms energy: -686.516001
where:
bonds (distance) C4'-P energy: -138.264
bonds (distance) P-C4' energy: -130.767
flat angles C4'-P-C4' energy: -146.611
flat angles P-C4'-P energy: -98.499
tors. eta vs tors. theta energy: -172.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2201.137633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.137633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.137633 (E_RNA)
where:
Base-Base interactions energy: -1507.909
where: short stacking energy: -641.654
Base-Backbone interact. energy: -4.197
local terms energy: -689.030980
where:
bonds (distance) C4'-P energy: -114.180
bonds (distance) P-C4' energy: -141.646
flat angles C4'-P-C4' energy: -145.784
flat angles P-C4'-P energy: -104.191
tors. eta vs tors. theta energy: -183.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2081.875721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.875721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.875721 (E_RNA)
where:
Base-Base interactions energy: -1427.998
where: short stacking energy: -577.343
Base-Backbone interact. energy: -2.537
local terms energy: -651.340266
where:
bonds (distance) C4'-P energy: -126.598
bonds (distance) P-C4' energy: -128.725
flat angles C4'-P-C4' energy: -135.651
flat angles P-C4'-P energy: -91.098
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: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1913.070956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.070956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.070956 (E_RNA)
where:
Base-Base interactions energy: -1298.654
where: short stacking energy: -585.066
Base-Backbone interact. energy: -0.981
local terms energy: -613.436337
where:
bonds (distance) C4'-P energy: -119.154
bonds (distance) P-C4' energy: -125.228
flat angles C4'-P-C4' energy: -125.701
flat angles P-C4'-P energy: -89.158
tors. eta vs tors. theta energy: -154.195
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1749.190212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.190212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.190212 (E_RNA)
where:
Base-Base interactions energy: -1191.690
where: short stacking energy: -473.937
Base-Backbone interact. energy: 4.297
local terms energy: -561.797710
where:
bonds (distance) C4'-P energy: -131.343
bonds (distance) P-C4' energy: -128.002
flat angles C4'-P-C4' energy: -124.443
flat angles P-C4'-P energy: -81.532
tors. eta vs tors. theta energy: -96.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1652.134615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.134615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.134615 (E_RNA)
where:
Base-Base interactions energy: -1112.966
where: short stacking energy: -487.927
Base-Backbone interact. energy: -3.501
local terms energy: -535.668200
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -115.403
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -73.975
tors. eta vs tors. theta energy: -121.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1428.865772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.865772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.865772 (E_RNA)
where:
Base-Base interactions energy: -920.682
where: short stacking energy: -408.862
Base-Backbone interact. energy: -5.144
local terms energy: -503.039676
where:
bonds (distance) C4'-P energy: -117.850
bonds (distance) P-C4' energy: -120.870
flat angles C4'-P-C4' energy: -108.498
flat angles P-C4'-P energy: -67.999
tors. eta vs tors. theta energy: -87.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1042.494482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.494482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.494482 (E_RNA)
where:
Base-Base interactions energy: -600.820
where: short stacking energy: -302.664
Base-Backbone interact. energy: -0.566
local terms energy: -441.108618
where:
bonds (distance) C4'-P energy: -105.271
bonds (distance) P-C4' energy: -136.726
flat angles C4'-P-C4' energy: -109.757
flat angles P-C4'-P energy: -61.058
tors. eta vs tors. theta energy: -28.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -884.621802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.621802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.621802 (E_RNA)
where:
Base-Base interactions energy: -491.294
where: short stacking energy: -259.847
Base-Backbone interact. energy: 4.067
local terms energy: -397.394296
where:
bonds (distance) C4'-P energy: -106.305
bonds (distance) P-C4' energy: -116.076
flat angles C4'-P-C4' energy: -90.249
flat angles P-C4'-P energy: -63.930
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -622.736378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.736378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.736378 (E_RNA)
where:
Base-Base interactions energy: -289.950
where: short stacking energy: -183.351
Base-Backbone interact. energy: 0.913
local terms energy: -333.699703
where:
bonds (distance) C4'-P energy: -109.175
bonds (distance) P-C4' energy: -101.984
flat angles C4'-P-C4' energy: -83.200
flat angles P-C4'-P energy: -53.208
tors. eta vs tors. theta energy: 13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2231.758357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.758357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.758357 (E_RNA)
where:
Base-Base interactions energy: -1537.653
where: short stacking energy: -638.922
Base-Backbone interact. energy: -5.132
local terms energy: -688.972984
where:
bonds (distance) C4'-P energy: -128.896
bonds (distance) P-C4' energy: -138.551
flat angles C4'-P-C4' energy: -137.149
flat angles P-C4'-P energy: -97.549
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: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2187.769379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.769379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.769379 (E_RNA)
where:
Base-Base interactions energy: -1505.384
where: short stacking energy: -645.095
Base-Backbone interact. energy: -0.709
local terms energy: -681.676158
where:
bonds (distance) C4'-P energy: -133.156
bonds (distance) P-C4' energy: -133.914
flat angles C4'-P-C4' energy: -147.533
flat angles P-C4'-P energy: -93.521
tors. eta vs tors. theta energy: -173.553
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: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2082.449686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.449686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.449686 (E_RNA)
where:
Base-Base interactions energy: -1441.365
where: short stacking energy: -567.577
Base-Backbone interact. energy: -4.674
local terms energy: -636.410609
where:
bonds (distance) C4'-P energy: -131.094
bonds (distance) P-C4' energy: -131.787
flat angles C4'-P-C4' energy: -135.839
flat angles P-C4'-P energy: -85.408
tors. eta vs tors. theta energy: -152.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1860.411939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.411939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.411939 (E_RNA)
where:
Base-Base interactions energy: -1248.757
where: short stacking energy: -549.446
Base-Backbone interact. energy: -1.579
local terms energy: -610.075924
where:
bonds (distance) C4'-P energy: -114.078
bonds (distance) P-C4' energy: -129.327
flat angles C4'-P-C4' energy: -131.818
flat angles P-C4'-P energy: -94.810
tors. eta vs tors. theta energy: -140.043
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: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1739.161454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.161454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.161454 (E_RNA)
where:
Base-Base interactions energy: -1168.567
where: short stacking energy: -500.041
Base-Backbone interact. energy: -4.070
local terms energy: -566.524161
where:
bonds (distance) C4'-P energy: -99.416
bonds (distance) P-C4' energy: -125.068
flat angles C4'-P-C4' energy: -150.508
flat angles P-C4'-P energy: -74.328
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: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1657.829284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.829284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.829284 (E_RNA)
where:
Base-Base interactions energy: -1122.706
where: short stacking energy: -509.368
Base-Backbone interact. energy: -2.999
local terms energy: -532.124523
where:
bonds (distance) C4'-P energy: -109.709
bonds (distance) P-C4' energy: -105.706
flat angles C4'-P-C4' energy: -120.151
flat angles P-C4'-P energy: -68.566
tors. eta vs tors. theta energy: -127.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1408.985259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.985259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.985259 (E_RNA)
where:
Base-Base interactions energy: -920.483
where: short stacking energy: -405.364
Base-Backbone interact. energy: -1.488
local terms energy: -487.014209
where:
bonds (distance) C4'-P energy: -98.423
bonds (distance) P-C4' energy: -107.399
flat angles C4'-P-C4' energy: -119.729
flat angles P-C4'-P energy: -71.708
tors. eta vs tors. theta energy: -89.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1104.801675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.801675 (E_RNA)
where:
Base-Base interactions energy: -679.567
where: short stacking energy: -326.625
Base-Backbone interact. energy: -1.071
local terms energy: -424.163615
where:
bonds (distance) C4'-P energy: -100.670
bonds (distance) P-C4' energy: -100.677
flat angles C4'-P-C4' energy: -103.756
flat angles P-C4'-P energy: -70.344
tors. eta vs tors. theta energy: -48.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -852.536026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.536026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.536026 (E_RNA)
where:
Base-Base interactions energy: -462.865
where: short stacking energy: -241.025
Base-Backbone interact. energy: 3.630
local terms energy: -393.300422
where:
bonds (distance) C4'-P energy: -124.463
bonds (distance) P-C4' energy: -115.937
flat angles C4'-P-C4' energy: -87.577
flat angles P-C4'-P energy: -58.934
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -645.796607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.796607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.796607 (E_RNA)
where:
Base-Base interactions energy: -306.737
where: short stacking energy: -195.723
Base-Backbone interact. energy: 1.236
local terms energy: -340.295994
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -112.155
flat angles C4'-P-C4' energy: -100.816
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: 10.191
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: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2224.730572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.730572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.730572 (E_RNA)
where:
Base-Base interactions energy: -1536.265
where: short stacking energy: -642.693
Base-Backbone interact. energy: 6.108
local terms energy: -694.573603
where:
bonds (distance) C4'-P energy: -139.539
bonds (distance) P-C4' energy: -137.067
flat angles C4'-P-C4' energy: -146.640
flat angles P-C4'-P energy: -99.621
tors. eta vs tors. theta energy: -171.707
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: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2174.279960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.279960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.279960 (E_RNA)
where:
Base-Base interactions energy: -1493.671
where: short stacking energy: -628.181
Base-Backbone interact. energy: -5.451
local terms energy: -675.158060
where:
bonds (distance) C4'-P energy: -137.299
bonds (distance) P-C4' energy: -128.654
flat angles C4'-P-C4' energy: -141.125
flat angles P-C4'-P energy: -99.295
tors. eta vs tors. theta energy: -168.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2051.233809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.233809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.233809 (E_RNA)
where:
Base-Base interactions energy: -1424.102
where: short stacking energy: -566.570
Base-Backbone interact. energy: 0.971
local terms energy: -628.103073
where:
bonds (distance) C4'-P energy: -118.278
bonds (distance) P-C4' energy: -138.285
flat angles C4'-P-C4' energy: -140.556
flat angles P-C4'-P energy: -75.298
tors. eta vs tors. theta energy: -155.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1876.843667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.843667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.843667 (E_RNA)
where:
Base-Base interactions energy: -1239.601
where: short stacking energy: -544.725
Base-Backbone interact. energy: -8.100
local terms energy: -629.142561
where:
bonds (distance) C4'-P energy: -133.478
bonds (distance) P-C4' energy: -123.496
flat angles C4'-P-C4' energy: -131.960
flat angles P-C4'-P energy: -93.818
tors. eta vs tors. theta energy: -146.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1735.769345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.769345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.769345 (E_RNA)
where:
Base-Base interactions energy: -1154.618
where: short stacking energy: -508.227
Base-Backbone interact. energy: 6.892
local terms energy: -588.043546
where:
bonds (distance) C4'-P energy: -121.872
bonds (distance) P-C4' energy: -118.270
flat angles C4'-P-C4' energy: -123.434
flat angles P-C4'-P energy: -88.101
tors. eta vs tors. theta energy: -136.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1641.873549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.873549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.873549 (E_RNA)
where:
Base-Base interactions energy: -1118.103
where: short stacking energy: -461.926
Base-Backbone interact. energy: 1.322
local terms energy: -525.093258
where:
bonds (distance) C4'-P energy: -112.466
bonds (distance) P-C4' energy: -106.782
flat angles C4'-P-C4' energy: -108.422
flat angles P-C4'-P energy: -92.017
tors. eta vs tors. theta energy: -105.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1399.609606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.609606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.609606 (E_RNA)
where:
Base-Base interactions energy: -874.389
where: short stacking energy: -406.618
Base-Backbone interact. energy: 1.428
local terms energy: -526.647946
where:
bonds (distance) C4'-P energy: -113.737
bonds (distance) P-C4' energy: -119.963
flat angles C4'-P-C4' energy: -119.931
flat angles P-C4'-P energy: -84.830
tors. eta vs tors. theta energy: -88.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1173.751673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.751673 (E_RNA)
where:
Base-Base interactions energy: -757.338
where: short stacking energy: -351.414
Base-Backbone interact. energy: 8.024
local terms energy: -424.438129
where:
bonds (distance) C4'-P energy: -109.073
bonds (distance) P-C4' energy: -103.352
flat angles C4'-P-C4' energy: -103.281
flat angles P-C4'-P energy: -70.842
tors. eta vs tors. theta energy: -37.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -855.172709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.172709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.172709 (E_RNA)
where:
Base-Base interactions energy: -469.508
where: short stacking energy: -249.874
Base-Backbone interact. energy: 2.389
local terms energy: -388.053771
where:
bonds (distance) C4'-P energy: -95.982
bonds (distance) P-C4' energy: -122.166
flat angles C4'-P-C4' energy: -91.864
flat angles P-C4'-P energy: -65.905
tors. eta vs tors. theta energy: -12.137
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: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -638.590907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.590907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.590907 (E_RNA)
where:
Base-Base interactions energy: -303.835
where: short stacking energy: -199.509
Base-Backbone interact. energy: -1.570
local terms energy: -333.185814
where:
bonds (distance) C4'-P energy: -103.345
bonds (distance) P-C4' energy: -122.457
flat angles C4'-P-C4' energy: -51.208
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: 5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2240.624103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.624103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.624103 (E_RNA)
where:
Base-Base interactions energy: -1546.265
where: short stacking energy: -624.159
Base-Backbone interact. energy: -0.349
local terms energy: -694.009914
where:
bonds (distance) C4'-P energy: -132.466
bonds (distance) P-C4' energy: -138.153
flat angles C4'-P-C4' energy: -149.284
flat angles P-C4'-P energy: -97.328
tors. eta vs tors. theta energy: -176.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2182.785718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.785718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.785718 (E_RNA)
where:
Base-Base interactions energy: -1499.783
where: short stacking energy: -606.733
Base-Backbone interact. energy: -5.019
local terms energy: -677.983336
where:
bonds (distance) C4'-P energy: -136.900
bonds (distance) P-C4' energy: -128.485
flat angles C4'-P-C4' energy: -156.208
flat angles P-C4'-P energy: -92.974
tors. eta vs tors. theta energy: -163.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2064.889728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.889728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.889728 (E_RNA)
where:
Base-Base interactions energy: -1416.566
where: short stacking energy: -601.978
Base-Backbone interact. energy: 1.365
local terms energy: -649.688382
where:
bonds (distance) C4'-P energy: -121.395
bonds (distance) P-C4' energy: -132.583
flat angles C4'-P-C4' energy: -147.511
flat angles P-C4'-P energy: -90.504
tors. eta vs tors. theta energy: -157.696
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: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1838.513650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.513650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.513650 (E_RNA)
where:
Base-Base interactions energy: -1223.043
where: short stacking energy: -544.120
Base-Backbone interact. energy: 6.108
local terms energy: -621.578683
where:
bonds (distance) C4'-P energy: -125.959
bonds (distance) P-C4' energy: -131.843
flat angles C4'-P-C4' energy: -128.580
flat angles P-C4'-P energy: -98.003
tors. eta vs tors. theta energy: -137.194
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: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1770.345360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.345360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.345360 (E_RNA)
where:
Base-Base interactions energy: -1208.218
where: short stacking energy: -530.010
Base-Backbone interact. energy: -4.117
local terms energy: -558.010191
where:
bonds (distance) C4'-P energy: -100.293
bonds (distance) P-C4' energy: -118.430
flat angles C4'-P-C4' energy: -126.301
flat angles P-C4'-P energy: -81.688
tors. eta vs tors. theta energy: -131.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1585.222154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.222154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.222154 (E_RNA)
where:
Base-Base interactions energy: -1054.598
where: short stacking energy: -457.793
Base-Backbone interact. energy: -4.482
local terms energy: -526.141338
where:
bonds (distance) C4'-P energy: -123.512
bonds (distance) P-C4' energy: -122.271
flat angles C4'-P-C4' energy: -121.074
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -93.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1456.405951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.405951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.405951 (E_RNA)
where:
Base-Base interactions energy: -943.948
where: short stacking energy: -410.466
Base-Backbone interact. energy: -0.754
local terms energy: -511.703362
where:
bonds (distance) C4'-P energy: -115.595
bonds (distance) P-C4' energy: -114.205
flat angles C4'-P-C4' energy: -118.607
flat angles P-C4'-P energy: -64.521
tors. eta vs tors. theta energy: -98.776
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1128.535532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.535532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.535532 (E_RNA)
where:
Base-Base interactions energy: -665.132
where: short stacking energy: -309.438
Base-Backbone interact. energy: -2.371
local terms energy: -461.032861
where:
bonds (distance) C4'-P energy: -113.987
bonds (distance) P-C4' energy: -120.215
flat angles C4'-P-C4' energy: -98.742
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -58.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -873.161128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.161128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.161128 (E_RNA)
where:
Base-Base interactions energy: -467.641
where: short stacking energy: -242.888
Base-Backbone interact. energy: 5.250
local terms energy: -410.770328
where:
bonds (distance) C4'-P energy: -105.169
bonds (distance) P-C4' energy: -119.583
flat angles C4'-P-C4' energy: -98.338
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -680.883583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.883583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.883583 (E_RNA)
where:
Base-Base interactions energy: -343.292
where: short stacking energy: -219.343
Base-Backbone interact. energy: 4.119
local terms energy: -341.710138
where:
bonds (distance) C4'-P energy: -101.846
bonds (distance) P-C4' energy: -89.167
flat angles C4'-P-C4' energy: -89.567
flat angles P-C4'-P energy: -66.834
tors. eta vs tors. theta energy: 5.705
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2237.785050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.785050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.785050 (E_RNA)
where:
Base-Base interactions energy: -1561.896
where: short stacking energy: -655.682
Base-Backbone interact. energy: -1.411
local terms energy: -674.477717
where:
bonds (distance) C4'-P energy: -133.803
bonds (distance) P-C4' energy: -126.756
flat angles C4'-P-C4' energy: -156.393
flat angles P-C4'-P energy: -75.505
tors. eta vs tors. theta energy: -182.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2214.127841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.127841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.127841 (E_RNA)
where:
Base-Base interactions energy: -1529.178
where: short stacking energy: -623.063
Base-Backbone interact. energy: -4.366
local terms energy: -680.584087
where:
bonds (distance) C4'-P energy: -134.590
bonds (distance) P-C4' energy: -125.257
flat angles C4'-P-C4' energy: -144.997
flat angles P-C4'-P energy: -101.846
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: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2063.258819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.258819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.258819 (E_RNA)
where:
Base-Base interactions energy: -1404.074
where: short stacking energy: -596.901
Base-Backbone interact. energy: -2.578
local terms energy: -656.607310
where:
bonds (distance) C4'-P energy: -133.110
bonds (distance) P-C4' energy: -128.668
flat angles C4'-P-C4' energy: -152.497
flat angles P-C4'-P energy: -77.507
tors. eta vs tors. theta energy: -164.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1904.902715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.902715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.902715 (E_RNA)
where:
Base-Base interactions energy: -1295.184
where: short stacking energy: -593.251
Base-Backbone interact. energy: 0.702
local terms energy: -610.421063
where:
bonds (distance) C4'-P energy: -121.385
bonds (distance) P-C4' energy: -119.379
flat angles C4'-P-C4' energy: -127.942
flat angles P-C4'-P energy: -84.425
tors. eta vs tors. theta energy: -157.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1759.483278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.483278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.483278 (E_RNA)
where:
Base-Base interactions energy: -1175.696
where: short stacking energy: -497.758
Base-Backbone interact. energy: -2.244
local terms energy: -581.543231
where:
bonds (distance) C4'-P energy: -114.430
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -123.028
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -130.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1613.261337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.261337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.261337 (E_RNA)
where:
Base-Base interactions energy: -1078.316
where: short stacking energy: -458.809
Base-Backbone interact. energy: -3.229
local terms energy: -531.715961
where:
bonds (distance) C4'-P energy: -117.762
bonds (distance) P-C4' energy: -102.813
flat angles C4'-P-C4' energy: -120.318
flat angles P-C4'-P energy: -85.721
tors. eta vs tors. theta energy: -105.102
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: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1414.303582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.303582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.303582 (E_RNA)
where:
Base-Base interactions energy: -886.514
where: short stacking energy: -388.537
Base-Backbone interact. energy: 1.271
local terms energy: -529.060337
where:
bonds (distance) C4'-P energy: -118.615
bonds (distance) P-C4' energy: -128.395
flat angles C4'-P-C4' energy: -105.058
flat angles P-C4'-P energy: -83.112
tors. eta vs tors. theta energy: -93.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1168.527663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.527663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.527663 (E_RNA)
where:
Base-Base interactions energy: -730.841
where: short stacking energy: -331.636
Base-Backbone interact. energy: -2.352
local terms energy: -435.334139
where:
bonds (distance) C4'-P energy: -110.570
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -100.631
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -52.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -861.715445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.715445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.715445 (E_RNA)
where:
Base-Base interactions energy: -473.321
where: short stacking energy: -244.027
Base-Backbone interact. energy: -2.643
local terms energy: -385.750938
where:
bonds (distance) C4'-P energy: -139.977
bonds (distance) P-C4' energy: -108.619
flat angles C4'-P-C4' energy: -98.520
flat angles P-C4'-P energy: -43.912
tors. eta vs tors. theta energy: 5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -668.402224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.402224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.402224 (E_RNA)
where:
Base-Base interactions energy: -328.034
where: short stacking energy: -191.138
Base-Backbone interact. energy: 3.727
local terms energy: -344.095643
where:
bonds (distance) C4'-P energy: -99.040
bonds (distance) P-C4' energy: -111.551
flat angles C4'-P-C4' energy: -82.841
flat angles P-C4'-P energy: -51.782
tors. eta vs tors. theta energy: 1.119
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2224.437786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.437786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.437786 (E_RNA)
where:
Base-Base interactions energy: -1530.162
where: short stacking energy: -630.205
Base-Backbone interact. energy: -2.033
local terms energy: -692.242245
where:
bonds (distance) C4'-P energy: -125.393
bonds (distance) P-C4' energy: -135.688
flat angles C4'-P-C4' energy: -158.220
flat angles P-C4'-P energy: -86.590
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: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2188.839115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.839115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.839115 (E_RNA)
where:
Base-Base interactions energy: -1503.500
where: short stacking energy: -643.516
Base-Backbone interact. energy: -0.840
local terms energy: -684.498645
where:
bonds (distance) C4'-P energy: -135.441
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -144.537
flat angles P-C4'-P energy: -101.911
tors. eta vs tors. theta energy: -169.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2108.738095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.738095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.738095 (E_RNA)
where:
Base-Base interactions energy: -1436.447
where: short stacking energy: -613.819
Base-Backbone interact. energy: -2.945
local terms energy: -669.346104
where:
bonds (distance) C4'-P energy: -130.800
bonds (distance) P-C4' energy: -128.952
flat angles C4'-P-C4' energy: -139.397
flat angles P-C4'-P energy: -93.214
tors. eta vs tors. theta energy: -176.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1862.381099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.381099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.381099 (E_RNA)
where:
Base-Base interactions energy: -1229.239
where: short stacking energy: -575.091
Base-Backbone interact. energy: -3.120
local terms energy: -630.022113
where:
bonds (distance) C4'-P energy: -120.058
bonds (distance) P-C4' energy: -132.143
flat angles C4'-P-C4' energy: -131.069
flat angles P-C4'-P energy: -85.079
tors. eta vs tors. theta energy: -161.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1833.334147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.334147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.334147 (E_RNA)
where:
Base-Base interactions energy: -1240.692
where: short stacking energy: -551.975
Base-Backbone interact. energy: -0.493
local terms energy: -592.148661
where:
bonds (distance) C4'-P energy: -119.663
bonds (distance) P-C4' energy: -104.867
flat angles C4'-P-C4' energy: -130.017
flat angles P-C4'-P energy: -90.200
tors. eta vs tors. theta energy: -147.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1590.322452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.322452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.322452 (E_RNA)
where:
Base-Base interactions energy: -1062.456
where: short stacking energy: -492.237
Base-Backbone interact. energy: -0.415
local terms energy: -527.450675
where:
bonds (distance) C4'-P energy: -82.292
bonds (distance) P-C4' energy: -113.732
flat angles C4'-P-C4' energy: -128.689
flat angles P-C4'-P energy: -83.508
tors. eta vs tors. theta energy: -119.229
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: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1387.463443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.463443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.463443 (E_RNA)
where:
Base-Base interactions energy: -918.062
where: short stacking energy: -410.971
Base-Backbone interact. energy: 3.117
local terms energy: -472.518579
where:
bonds (distance) C4'-P energy: -110.802
bonds (distance) P-C4' energy: -128.553
flat angles C4'-P-C4' energy: -97.749
flat angles P-C4'-P energy: -67.739
tors. eta vs tors. theta energy: -67.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1166.688076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.688076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.688076 (E_RNA)
where:
Base-Base interactions energy: -728.073
where: short stacking energy: -361.097
Base-Backbone interact. energy: -1.246
local terms energy: -437.369383
where:
bonds (distance) C4'-P energy: -114.811
bonds (distance) P-C4' energy: -109.757
flat angles C4'-P-C4' energy: -105.106
flat angles P-C4'-P energy: -54.128
tors. eta vs tors. theta energy: -53.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -848.312057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.312057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.312057 (E_RNA)
where:
Base-Base interactions energy: -459.876
where: short stacking energy: -237.007
Base-Backbone interact. energy: -0.089
local terms energy: -388.347200
where:
bonds (distance) C4'-P energy: -105.684
bonds (distance) P-C4' energy: -109.112
flat angles C4'-P-C4' energy: -102.039
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -674.062026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.062026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.062026 (E_RNA)
where:
Base-Base interactions energy: -315.223
where: short stacking energy: -197.076
Base-Backbone interact. energy: -0.644
local terms energy: -358.195022
where:
bonds (distance) C4'-P energy: -99.815
bonds (distance) P-C4' energy: -114.339
flat angles C4'-P-C4' energy: -76.184
flat angles P-C4'-P energy: -60.044
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: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2231.628263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.628263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.628263 (E_RNA)
where:
Base-Base interactions energy: -1553.438
where: short stacking energy: -647.143
Base-Backbone interact. energy: -3.783
local terms energy: -674.406619
where:
bonds (distance) C4'-P energy: -126.500
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -146.619
flat angles P-C4'-P energy: -89.006
tors. eta vs tors. theta energy: -176.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2217.344143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.344143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.344143 (E_RNA)
where:
Base-Base interactions energy: -1513.634
where: short stacking energy: -632.307
Base-Backbone interact. energy: -0.520
local terms energy: -703.190775
where:
bonds (distance) C4'-P energy: -136.061
bonds (distance) P-C4' energy: -144.848
flat angles C4'-P-C4' energy: -144.043
flat angles P-C4'-P energy: -97.521
tors. eta vs tors. theta energy: -180.718
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: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2102.040434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.040434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.040434 (E_RNA)
where:
Base-Base interactions energy: -1446.705
where: short stacking energy: -621.639
Base-Backbone interact. energy: -1.970
local terms energy: -653.365458
where:
bonds (distance) C4'-P energy: -119.616
bonds (distance) P-C4' energy: -124.828
flat angles C4'-P-C4' energy: -151.748
flat angles P-C4'-P energy: -79.720
tors. eta vs tors. theta energy: -177.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1902.293920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.293920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.293920 (E_RNA)
where:
Base-Base interactions energy: -1272.355
where: short stacking energy: -566.793
Base-Backbone interact. energy: -2.467
local terms energy: -627.471789
where:
bonds (distance) C4'-P energy: -124.530
bonds (distance) P-C4' energy: -127.358
flat angles C4'-P-C4' energy: -126.830
flat angles P-C4'-P energy: -84.836
tors. eta vs tors. theta energy: -163.918
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1779.179193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.179193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.179193 (E_RNA)
where:
Base-Base interactions energy: -1227.960
where: short stacking energy: -508.901
Base-Backbone interact. energy: -3.675
local terms energy: -547.544761
where:
bonds (distance) C4'-P energy: -118.555
bonds (distance) P-C4' energy: -115.506
flat angles C4'-P-C4' energy: -114.331
flat angles P-C4'-P energy: -78.380
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: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1590.354541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.354541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.354541 (E_RNA)
where:
Base-Base interactions energy: -1040.706
where: short stacking energy: -439.454
Base-Backbone interact. energy: -5.707
local terms energy: -543.941631
where:
bonds (distance) C4'-P energy: -111.558
bonds (distance) P-C4' energy: -120.727
flat angles C4'-P-C4' energy: -125.593
flat angles P-C4'-P energy: -84.936
tors. eta vs tors. theta energy: -101.129
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1372.522379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.522379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.522379 (E_RNA)
where:
Base-Base interactions energy: -891.703
where: short stacking energy: -387.407
Base-Backbone interact. energy: -1.168
local terms energy: -479.651594
where:
bonds (distance) C4'-P energy: -110.918
bonds (distance) P-C4' energy: -112.528
flat angles C4'-P-C4' energy: -109.595
flat angles P-C4'-P energy: -62.973
tors. eta vs tors. theta energy: -83.639
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: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1132.658063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.658063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.658063 (E_RNA)
where:
Base-Base interactions energy: -672.278
where: short stacking energy: -326.054
Base-Backbone interact. energy: -0.408
local terms energy: -459.971403
where:
bonds (distance) C4'-P energy: -105.711
bonds (distance) P-C4' energy: -107.400
flat angles C4'-P-C4' energy: -121.525
flat angles P-C4'-P energy: -72.957
tors. eta vs tors. theta energy: -52.378
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: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -826.279695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.279695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.279695 (E_RNA)
where:
Base-Base interactions energy: -410.145
where: short stacking energy: -209.033
Base-Backbone interact. energy: -4.507
local terms energy: -411.627744
where:
bonds (distance) C4'-P energy: -125.130
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -108.197
flat angles P-C4'-P energy: -63.822
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -630.436869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.436869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.436869 (E_RNA)
where:
Base-Base interactions energy: -298.304
where: short stacking energy: -182.150
Base-Backbone interact. energy: 2.173
local terms energy: -334.305216
where:
bonds (distance) C4'-P energy: -91.788
bonds (distance) P-C4' energy: -107.730
flat angles C4'-P-C4' energy: -99.242
flat angles P-C4'-P energy: -54.224
tors. eta vs tors. theta energy: 18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2240.289392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.289392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.289392 (E_RNA)
where:
Base-Base interactions energy: -1541.115
where: short stacking energy: -634.731
Base-Backbone interact. energy: -1.136
local terms energy: -698.038207
where:
bonds (distance) C4'-P energy: -132.104
bonds (distance) P-C4' energy: -142.595
flat angles C4'-P-C4' energy: -151.576
flat angles P-C4'-P energy: -99.441
tors. eta vs tors. theta energy: -172.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2208.224911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.224911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.224911 (E_RNA)
where:
Base-Base interactions energy: -1529.623
where: short stacking energy: -646.287
Base-Backbone interact. energy: 0.121
local terms energy: -678.722821
where:
bonds (distance) C4'-P energy: -129.849
bonds (distance) P-C4' energy: -123.002
flat angles C4'-P-C4' energy: -145.373
flat angles P-C4'-P energy: -107.303
tors. eta vs tors. theta energy: -173.196
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: 121
Temperature: 1.000000
Total energy: -2125.892122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.892122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.892122 (E_RNA)
where:
Base-Base interactions energy: -1454.378
where: short stacking energy: -639.057
Base-Backbone interact. energy: -1.933
local terms energy: -669.581171
where:
bonds (distance) C4'-P energy: -140.178
bonds (distance) P-C4' energy: -124.551
flat angles C4'-P-C4' energy: -146.090
flat angles P-C4'-P energy: -86.729
tors. eta vs tors. theta energy: -172.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1860.086692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.086692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.086692 (E_RNA)
where:
Base-Base interactions energy: -1255.363
where: short stacking energy: -542.106
Base-Backbone interact. energy: -4.372
local terms energy: -600.352346
where:
bonds (distance) C4'-P energy: -131.313
bonds (distance) P-C4' energy: -119.626
flat angles C4'-P-C4' energy: -122.138
flat angles P-C4'-P energy: -84.722
tors. eta vs tors. theta energy: -142.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1690.122532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.122532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.122532 (E_RNA)
where:
Base-Base interactions energy: -1143.907
where: short stacking energy: -499.256
Base-Backbone interact. energy: -2.674
local terms energy: -543.542087
where:
bonds (distance) C4'-P energy: -107.887
bonds (distance) P-C4' energy: -108.598
flat angles C4'-P-C4' energy: -120.801
flat angles P-C4'-P energy: -87.893
tors. eta vs tors. theta energy: -118.364
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: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1489.947825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.947825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.947825 (E_RNA)
where:
Base-Base interactions energy: -950.606
where: short stacking energy: -416.751
Base-Backbone interact. energy: -1.266
local terms energy: -538.075768
where:
bonds (distance) C4'-P energy: -119.128
bonds (distance) P-C4' energy: -111.925
flat angles C4'-P-C4' energy: -123.439
flat angles P-C4'-P energy: -81.700
tors. eta vs tors. theta energy: -101.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1469.387564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.387564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.387564 (E_RNA)
where:
Base-Base interactions energy: -980.012
where: short stacking energy: -413.703
Base-Backbone interact. energy: -1.400
local terms energy: -487.974953
where:
bonds (distance) C4'-P energy: -97.587
bonds (distance) P-C4' energy: -100.251
flat angles C4'-P-C4' energy: -124.790
flat angles P-C4'-P energy: -72.644
tors. eta vs tors. theta energy: -92.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1121.743691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.743691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.743691 (E_RNA)
where:
Base-Base interactions energy: -715.416
where: short stacking energy: -311.285
Base-Backbone interact. energy: 3.610
local terms energy: -409.937569
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -98.603
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -49.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -777.234148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.234148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.234148 (E_RNA)
where:
Base-Base interactions energy: -406.814
where: short stacking energy: -247.230
Base-Backbone interact. energy: -0.093
local terms energy: -370.326917
where:
bonds (distance) C4'-P energy: -96.499
bonds (distance) P-C4' energy: -101.260
flat angles C4'-P-C4' energy: -94.984
flat angles P-C4'-P energy: -48.688
tors. eta vs tors. theta energy: -28.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -623.636432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.636432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.636432 (E_RNA)
where:
Base-Base interactions energy: -292.240
where: short stacking energy: -191.770
Base-Backbone interact. energy: -1.040
local terms energy: -330.355965
where:
bonds (distance) C4'-P energy: -111.172
bonds (distance) P-C4' energy: -91.008
flat angles C4'-P-C4' energy: -81.649
flat angles P-C4'-P energy: -52.079
tors. eta vs tors. theta energy: 5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2263.304561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.304561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.304561 (E_RNA)
where:
Base-Base interactions energy: -1558.524
where: short stacking energy: -645.995
Base-Backbone interact. energy: -4.189
local terms energy: -700.591208
where:
bonds (distance) C4'-P energy: -139.863
bonds (distance) P-C4' energy: -137.927
flat angles C4'-P-C4' energy: -147.630
flat angles P-C4'-P energy: -102.111
tors. eta vs tors. theta energy: -173.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2221.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.155485 (E_RNA)
where:
Base-Base interactions energy: -1530.240
where: short stacking energy: -607.577
Base-Backbone interact. energy: -4.117
local terms energy: -686.798769
where:
bonds (distance) C4'-P energy: -130.131
bonds (distance) P-C4' energy: -136.161
flat angles C4'-P-C4' energy: -146.794
flat angles P-C4'-P energy: -98.757
tors. eta vs tors. theta energy: -174.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2109.663013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.663013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.663013 (E_RNA)
where:
Base-Base interactions energy: -1472.585
where: short stacking energy: -628.976
Base-Backbone interact. energy: 1.117
local terms energy: -638.195159
where:
bonds (distance) C4'-P energy: -131.035
bonds (distance) P-C4' energy: -105.637
flat angles C4'-P-C4' energy: -149.133
flat angles P-C4'-P energy: -82.344
tors. eta vs tors. theta energy: -170.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1882.435460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.435460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.435460 (E_RNA)
where:
Base-Base interactions energy: -1278.255
where: short stacking energy: -540.420
Base-Backbone interact. energy: 1.931
local terms energy: -606.110819
where:
bonds (distance) C4'-P energy: -103.483
bonds (distance) P-C4' energy: -119.355
flat angles C4'-P-C4' energy: -135.950
flat angles P-C4'-P energy: -88.932
tors. eta vs tors. theta energy: -158.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1765.076633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.076633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.076633 (E_RNA)
where:
Base-Base interactions energy: -1181.487
where: short stacking energy: -527.359
Base-Backbone interact. energy: 2.207
local terms energy: -585.797130
where:
bonds (distance) C4'-P energy: -101.365
bonds (distance) P-C4' energy: -119.342
flat angles C4'-P-C4' energy: -143.904
flat angles P-C4'-P energy: -82.670
tors. eta vs tors. theta energy: -138.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1513.324829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.324829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.324829 (E_RNA)
where:
Base-Base interactions energy: -962.837
where: short stacking energy: -452.775
Base-Backbone interact. energy: -2.419
local terms energy: -548.068150
where:
bonds (distance) C4'-P energy: -118.835
bonds (distance) P-C4' energy: -125.794
flat angles C4'-P-C4' energy: -128.653
flat angles P-C4'-P energy: -75.507
tors. eta vs tors. theta energy: -99.279
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: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1511.552754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.552754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.552754 (E_RNA)
where:
Base-Base interactions energy: -987.623
where: short stacking energy: -416.825
Base-Backbone interact. energy: 1.030
local terms energy: -524.958967
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -133.176
flat angles C4'-P-C4' energy: -120.023
flat angles P-C4'-P energy: -80.299
tors. eta vs tors. theta energy: -100.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1138.940143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.940143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.940143 (E_RNA)
where:
Base-Base interactions energy: -688.968
where: short stacking energy: -338.717
Base-Backbone interact. energy: -1.227
local terms energy: -448.744487
where:
bonds (distance) C4'-P energy: -114.600
bonds (distance) P-C4' energy: -107.741
flat angles C4'-P-C4' energy: -107.040
flat angles P-C4'-P energy: -57.367
tors. eta vs tors. theta energy: -61.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -776.928233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.928233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.928233 (E_RNA)
where:
Base-Base interactions energy: -407.809
where: short stacking energy: -266.223
Base-Backbone interact. energy: -0.790
local terms energy: -368.328701
where:
bonds (distance) C4'-P energy: -105.813
bonds (distance) P-C4' energy: -102.330
flat angles C4'-P-C4' energy: -99.940
flat angles P-C4'-P energy: -44.455
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -696.582043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.582043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.582043 (E_RNA)
where:
Base-Base interactions energy: -312.426
where: short stacking energy: -186.991
Base-Backbone interact. energy: -2.041
local terms energy: -382.115385
where:
bonds (distance) C4'-P energy: -117.502
bonds (distance) P-C4' energy: -115.656
flat angles C4'-P-C4' energy: -90.196
flat angles P-C4'-P energy: -67.920
tors. eta vs tors. theta energy: 9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2250.758182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.758182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.758182 (E_RNA)
where:
Base-Base interactions energy: -1563.257
where: short stacking energy: -666.735
Base-Backbone interact. energy: -0.328
local terms energy: -687.173256
where:
bonds (distance) C4'-P energy: -142.658
bonds (distance) P-C4' energy: -137.396
flat angles C4'-P-C4' energy: -134.655
flat angles P-C4'-P energy: -98.568
tors. eta vs tors. theta energy: -173.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2198.252812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.252812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.252812 (E_RNA)
where:
Base-Base interactions energy: -1533.322
where: short stacking energy: -620.558
Base-Backbone interact. energy: 1.133
local terms energy: -666.063315
where:
bonds (distance) C4'-P energy: -119.959
bonds (distance) P-C4' energy: -120.006
flat angles C4'-P-C4' energy: -151.757
flat angles P-C4'-P energy: -92.050
tors. eta vs tors. theta energy: -182.291
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: 123
Temperature: 1.000000
Total energy: -2077.708054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.708054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.708054 (E_RNA)
where:
Base-Base interactions energy: -1436.306
where: short stacking energy: -597.943
Base-Backbone interact. energy: -0.263
local terms energy: -641.139320
where:
bonds (distance) C4'-P energy: -121.769
bonds (distance) P-C4' energy: -132.069
flat angles C4'-P-C4' energy: -144.136
flat angles P-C4'-P energy: -85.722
tors. eta vs tors. theta energy: -157.442
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: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1925.816722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.816722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.816722 (E_RNA)
where:
Base-Base interactions energy: -1298.502
where: short stacking energy: -567.730
Base-Backbone interact. energy: -5.066
local terms energy: -622.248867
where:
bonds (distance) C4'-P energy: -119.565
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -140.182
flat angles P-C4'-P energy: -89.098
tors. eta vs tors. theta energy: -156.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1782.628445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.628445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.628445 (E_RNA)
where:
Base-Base interactions energy: -1221.133
where: short stacking energy: -541.442
Base-Backbone interact. energy: -3.349
local terms energy: -558.147061
where:
bonds (distance) C4'-P energy: -103.296
bonds (distance) P-C4' energy: -111.175
flat angles C4'-P-C4' energy: -131.136
flat angles P-C4'-P energy: -78.042
tors. eta vs tors. theta energy: -134.498
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: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1488.635370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.635370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.635370 (E_RNA)
where:
Base-Base interactions energy: -946.953
where: short stacking energy: -423.167
Base-Backbone interact. energy: 2.311
local terms energy: -543.993325
where:
bonds (distance) C4'-P energy: -113.337
bonds (distance) P-C4' energy: -122.982
flat angles C4'-P-C4' energy: -133.215
flat angles P-C4'-P energy: -67.951
tors. eta vs tors. theta energy: -106.509
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: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1529.216443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.216443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.216443 (E_RNA)
where:
Base-Base interactions energy: -1017.570
where: short stacking energy: -431.717
Base-Backbone interact. energy: -2.671
local terms energy: -508.975371
where:
bonds (distance) C4'-P energy: -104.338
bonds (distance) P-C4' energy: -118.497
flat angles C4'-P-C4' energy: -115.334
flat angles P-C4'-P energy: -69.203
tors. eta vs tors. theta energy: -101.603
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: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1091.784462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.784462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.784462 (E_RNA)
where:
Base-Base interactions energy: -666.979
where: short stacking energy: -298.308
Base-Backbone interact. energy: 4.924
local terms energy: -429.729910
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -116.586
flat angles C4'-P-C4' energy: -104.562
flat angles P-C4'-P energy: -73.196
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -782.025780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.025780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.025780 (E_RNA)
where:
Base-Base interactions energy: -376.015
where: short stacking energy: -230.681
Base-Backbone interact. energy: -0.534
local terms energy: -405.476407
where:
bonds (distance) C4'-P energy: -103.237
bonds (distance) P-C4' energy: -112.370
flat angles C4'-P-C4' energy: -105.717
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -757.799092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.799092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.799092 (E_RNA)
where:
Base-Base interactions energy: -355.933
where: short stacking energy: -206.436
Base-Backbone interact. energy: 3.324
local terms energy: -405.190392
where:
bonds (distance) C4'-P energy: -113.814
bonds (distance) P-C4' energy: -112.888
flat angles C4'-P-C4' energy: -105.611
flat angles P-C4'-P energy: -61.746
tors. eta vs tors. theta energy: -11.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2267.254451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.254451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.254451 (E_RNA)
where:
Base-Base interactions energy: -1575.849
where: short stacking energy: -655.042
Base-Backbone interact. energy: -3.522
local terms energy: -687.883301
where:
bonds (distance) C4'-P energy: -134.264
bonds (distance) P-C4' energy: -130.984
flat angles C4'-P-C4' energy: -147.527
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -186.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2227.131940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.131940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.131940 (E_RNA)
where:
Base-Base interactions energy: -1539.886
where: short stacking energy: -633.450
Base-Backbone interact. energy: -4.688
local terms energy: -682.558541
where:
bonds (distance) C4'-P energy: -126.839
bonds (distance) P-C4' energy: -131.664
flat angles C4'-P-C4' energy: -149.776
flat angles P-C4'-P energy: -90.742
tors. eta vs tors. theta energy: -183.537
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: 124
Temperature: 1.000000
Total energy: -2108.518252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.518252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.518252 (E_RNA)
where:
Base-Base interactions energy: -1442.809
where: short stacking energy: -597.950
Base-Backbone interact. energy: 0.593
local terms energy: -666.302489
where:
bonds (distance) C4'-P energy: -129.815
bonds (distance) P-C4' energy: -140.833
flat angles C4'-P-C4' energy: -138.291
flat angles P-C4'-P energy: -85.503
tors. eta vs tors. theta energy: -171.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1923.445803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.445803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.445803 (E_RNA)
where:
Base-Base interactions energy: -1332.484
where: short stacking energy: -545.207
Base-Backbone interact. energy: 3.291
local terms energy: -594.253584
where:
bonds (distance) C4'-P energy: -117.310
bonds (distance) P-C4' energy: -122.333
flat angles C4'-P-C4' energy: -128.217
flat angles P-C4'-P energy: -83.080
tors. eta vs tors. theta energy: -143.314
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: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1844.375729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.375729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.375729 (E_RNA)
where:
Base-Base interactions energy: -1259.973
where: short stacking energy: -515.555
Base-Backbone interact. energy: -1.429
local terms energy: -582.974212
where:
bonds (distance) C4'-P energy: -124.656
bonds (distance) P-C4' energy: -116.160
flat angles C4'-P-C4' energy: -133.830
flat angles P-C4'-P energy: -78.244
tors. eta vs tors. theta energy: -130.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1504.329532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.329532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.329532 (E_RNA)
where:
Base-Base interactions energy: -965.021
where: short stacking energy: -441.776
Base-Backbone interact. energy: 0.651
local terms energy: -539.959895
where:
bonds (distance) C4'-P energy: -113.795
bonds (distance) P-C4' energy: -119.189
flat angles C4'-P-C4' energy: -137.442
flat angles P-C4'-P energy: -76.941
tors. eta vs tors. theta energy: -92.593
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: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1551.857178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.857178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.857178 (E_RNA)
where:
Base-Base interactions energy: -1052.043
where: short stacking energy: -456.777
Base-Backbone interact. energy: 1.619
local terms energy: -501.432933
where:
bonds (distance) C4'-P energy: -106.006
bonds (distance) P-C4' energy: -116.011
flat angles C4'-P-C4' energy: -113.717
flat angles P-C4'-P energy: -54.577
tors. eta vs tors. theta energy: -111.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1105.286781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.286781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.286781 (E_RNA)
where:
Base-Base interactions energy: -720.358
where: short stacking energy: -351.858
Base-Backbone interact. energy: -0.072
local terms energy: -384.856585
where:
bonds (distance) C4'-P energy: -78.285
bonds (distance) P-C4' energy: -116.764
flat angles C4'-P-C4' energy: -84.946
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -52.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -748.445453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.445453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.445453 (E_RNA)
where:
Base-Base interactions energy: -363.801
where: short stacking energy: -222.680
Base-Backbone interact. energy: -1.253
local terms energy: -383.391545
where:
bonds (distance) C4'-P energy: -110.034
bonds (distance) P-C4' energy: -102.327
flat angles C4'-P-C4' energy: -89.619
flat angles P-C4'-P energy: -65.751
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -638.074439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.074439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.074439 (E_RNA)
where:
Base-Base interactions energy: -278.633
where: short stacking energy: -197.335
Base-Backbone interact. energy: 0.045
local terms energy: -359.486422
where:
bonds (distance) C4'-P energy: -98.450
bonds (distance) P-C4' energy: -120.111
flat angles C4'-P-C4' energy: -98.932
flat angles P-C4'-P energy: -49.075
tors. eta vs tors. theta energy: 7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2240.017121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.017121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.017121 (E_RNA)
where:
Base-Base interactions energy: -1571.946
where: short stacking energy: -644.060
Base-Backbone interact. energy: -4.352
local terms energy: -663.719220
where:
bonds (distance) C4'-P energy: -128.444
bonds (distance) P-C4' energy: -130.896
flat angles C4'-P-C4' energy: -130.455
flat angles P-C4'-P energy: -103.857
tors. eta vs tors. theta energy: -170.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2216.261137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.261137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.261137 (E_RNA)
where:
Base-Base interactions energy: -1526.476
where: short stacking energy: -635.113
Base-Backbone interact. energy: -2.939
local terms energy: -686.845317
where:
bonds (distance) C4'-P energy: -121.214
bonds (distance) P-C4' energy: -134.994
flat angles C4'-P-C4' energy: -156.415
flat angles P-C4'-P energy: -88.913
tors. eta vs tors. theta energy: -185.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2101.186669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.186669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.186669 (E_RNA)
where:
Base-Base interactions energy: -1452.818
where: short stacking energy: -607.008
Base-Backbone interact. energy: 0.447
local terms energy: -648.815386
where:
bonds (distance) C4'-P energy: -123.511
bonds (distance) P-C4' energy: -129.402
flat angles C4'-P-C4' energy: -131.926
flat angles P-C4'-P energy: -86.505
tors. eta vs tors. theta energy: -177.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1918.436753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.436753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.436753 (E_RNA)
where:
Base-Base interactions energy: -1304.160
where: short stacking energy: -545.214
Base-Backbone interact. energy: -2.281
local terms energy: -611.996285
where:
bonds (distance) C4'-P energy: -125.539
bonds (distance) P-C4' energy: -118.171
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -98.649
tors. eta vs tors. theta energy: -150.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1798.809662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.809662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.809662 (E_RNA)
where:
Base-Base interactions energy: -1187.878
where: short stacking energy: -513.535
Base-Backbone interact. energy: 0.495
local terms energy: -611.426607
where:
bonds (distance) C4'-P energy: -130.333
bonds (distance) P-C4' energy: -118.119
flat angles C4'-P-C4' energy: -127.453
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -144.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1507.389725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.389725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.389725 (E_RNA)
where:
Base-Base interactions energy: -963.110
where: short stacking energy: -435.499
Base-Backbone interact. energy: 2.383
local terms energy: -546.663476
where:
bonds (distance) C4'-P energy: -135.890
bonds (distance) P-C4' energy: -94.582
flat angles C4'-P-C4' energy: -131.739
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -107.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1530.735795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.735795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.735795 (E_RNA)
where:
Base-Base interactions energy: -1025.393
where: short stacking energy: -449.966
Base-Backbone interact. energy: -2.028
local terms energy: -503.314727
where:
bonds (distance) C4'-P energy: -101.481
bonds (distance) P-C4' energy: -108.152
flat angles C4'-P-C4' energy: -113.649
flat angles P-C4'-P energy: -69.596
tors. eta vs tors. theta energy: -110.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1040.819977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.819977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.819977 (E_RNA)
where:
Base-Base interactions energy: -600.110
where: short stacking energy: -270.839
Base-Backbone interact. energy: -2.358
local terms energy: -438.352202
where:
bonds (distance) C4'-P energy: -88.891
bonds (distance) P-C4' energy: -125.074
flat angles C4'-P-C4' energy: -123.389
flat angles P-C4'-P energy: -71.293
tors. eta vs tors. theta energy: -29.705
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: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -812.811282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.811282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.811282 (E_RNA)
where:
Base-Base interactions energy: -413.943
where: short stacking energy: -231.402
Base-Backbone interact. energy: 1.176
local terms energy: -400.043826
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -120.089
flat angles C4'-P-C4' energy: -103.718
flat angles P-C4'-P energy: -60.737
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -658.302682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.302682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.302682 (E_RNA)
where:
Base-Base interactions energy: -324.352
where: short stacking energy: -191.016
Base-Backbone interact. energy: -0.233
local terms energy: -333.717430
where:
bonds (distance) C4'-P energy: -92.989
bonds (distance) P-C4' energy: -109.746
flat angles C4'-P-C4' energy: -94.129
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: 4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2259.408626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.408626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.408626 (E_RNA)
where:
Base-Base interactions energy: -1571.584
where: short stacking energy: -653.965
Base-Backbone interact. energy: -4.010
local terms energy: -683.814783
where:
bonds (distance) C4'-P energy: -120.778
bonds (distance) P-C4' energy: -124.471
flat angles C4'-P-C4' energy: -156.806
flat angles P-C4'-P energy: -105.207
tors. eta vs tors. theta energy: -176.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2212.695447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.695447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.695447 (E_RNA)
where:
Base-Base interactions energy: -1544.713
where: short stacking energy: -624.662
Base-Backbone interact. energy: 1.863
local terms energy: -669.844828
where:
bonds (distance) C4'-P energy: -123.896
bonds (distance) P-C4' energy: -114.719
flat angles C4'-P-C4' energy: -146.073
flat angles P-C4'-P energy: -104.379
tors. eta vs tors. theta energy: -180.778
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: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2121.952591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.952591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.952591 (E_RNA)
where:
Base-Base interactions energy: -1485.138
where: short stacking energy: -594.375
Base-Backbone interact. energy: -2.635
local terms energy: -634.179984
where:
bonds (distance) C4'-P energy: -108.142
bonds (distance) P-C4' energy: -127.580
flat angles C4'-P-C4' energy: -137.705
flat angles P-C4'-P energy: -89.929
tors. eta vs tors. theta energy: -170.824
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: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1930.137956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.137956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.137956 (E_RNA)
where:
Base-Base interactions energy: -1336.521
where: short stacking energy: -584.399
Base-Backbone interact. energy: -1.424
local terms energy: -592.192484
where:
bonds (distance) C4'-P energy: -120.000
bonds (distance) P-C4' energy: -109.869
flat angles C4'-P-C4' energy: -129.658
flat angles P-C4'-P energy: -83.046
tors. eta vs tors. theta energy: -149.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1854.096575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.096575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.096575 (E_RNA)
where:
Base-Base interactions energy: -1263.653
where: short stacking energy: -542.802
Base-Backbone interact. energy: -3.469
local terms energy: -586.974030
where:
bonds (distance) C4'-P energy: -106.915
bonds (distance) P-C4' energy: -114.317
flat angles C4'-P-C4' energy: -125.883
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -149.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1452.558230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.558230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.558230 (E_RNA)
where:
Base-Base interactions energy: -943.528
where: short stacking energy: -438.715
Base-Backbone interact. energy: 1.098
local terms energy: -510.128272
where:
bonds (distance) C4'-P energy: -100.916
bonds (distance) P-C4' energy: -106.061
flat angles C4'-P-C4' energy: -119.976
flat angles P-C4'-P energy: -74.833
tors. eta vs tors. theta energy: -108.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1374.461758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.461758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.461758 (E_RNA)
where:
Base-Base interactions energy: -892.766
where: short stacking energy: -389.654
Base-Backbone interact. energy: 0.595
local terms energy: -482.290143
where:
bonds (distance) C4'-P energy: -105.317
bonds (distance) P-C4' energy: -128.034
flat angles C4'-P-C4' energy: -109.379
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -81.406
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: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1169.292877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.292877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.292877 (E_RNA)
where:
Base-Base interactions energy: -719.182
where: short stacking energy: -327.511
Base-Backbone interact. energy: -3.036
local terms energy: -447.075119
where:
bonds (distance) C4'-P energy: -100.434
bonds (distance) P-C4' energy: -104.742
flat angles C4'-P-C4' energy: -119.010
flat angles P-C4'-P energy: -69.270
tors. eta vs tors. theta energy: -53.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -729.287983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.287983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.287983 (E_RNA)
where:
Base-Base interactions energy: -379.379
where: short stacking energy: -194.340
Base-Backbone interact. energy: 6.248
local terms energy: -356.157062
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -110.186
flat angles C4'-P-C4' energy: -96.791
flat angles P-C4'-P energy: -57.896
tors. eta vs tors. theta energy: 10.959
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: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -635.674211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.674211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.674211 (E_RNA)
where:
Base-Base interactions energy: -293.868
where: short stacking energy: -184.699
Base-Backbone interact. energy: 0.239
local terms energy: -342.045612
where:
bonds (distance) C4'-P energy: -109.883
bonds (distance) P-C4' energy: -125.373
flat angles C4'-P-C4' energy: -85.761
flat angles P-C4'-P energy: -35.752
tors. eta vs tors. theta energy: 14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2247.822655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.822655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.822655 (E_RNA)
where:
Base-Base interactions energy: -1563.052
where: short stacking energy: -650.851
Base-Backbone interact. energy: -4.430
local terms energy: -680.340168
where:
bonds (distance) C4'-P energy: -131.311
bonds (distance) P-C4' energy: -120.292
flat angles C4'-P-C4' energy: -146.618
flat angles P-C4'-P energy: -105.089
tors. eta vs tors. theta energy: -177.030
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: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2201.569451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.569451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.569451 (E_RNA)
where:
Base-Base interactions energy: -1546.239
where: short stacking energy: -656.000
Base-Backbone interact. energy: -3.404
local terms energy: -651.926508
where:
bonds (distance) C4'-P energy: -108.531
bonds (distance) P-C4' energy: -129.771
flat angles C4'-P-C4' energy: -149.244
flat angles P-C4'-P energy: -79.878
tors. eta vs tors. theta energy: -184.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2115.403265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.403265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.403265 (E_RNA)
where:
Base-Base interactions energy: -1467.979
where: short stacking energy: -621.546
Base-Backbone interact. energy: -3.521
local terms energy: -643.902745
where:
bonds (distance) C4'-P energy: -110.792
bonds (distance) P-C4' energy: -127.026
flat angles C4'-P-C4' energy: -143.611
flat angles P-C4'-P energy: -98.697
tors. eta vs tors. theta energy: -163.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1918.967564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.967564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.967564 (E_RNA)
where:
Base-Base interactions energy: -1306.522
where: short stacking energy: -550.532
Base-Backbone interact. energy: -5.383
local terms energy: -607.062411
where:
bonds (distance) C4'-P energy: -107.857
bonds (distance) P-C4' energy: -120.997
flat angles C4'-P-C4' energy: -139.614
flat angles P-C4'-P energy: -90.046
tors. eta vs tors. theta energy: -148.549
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: 127
Temperature: 1.100000
Total energy: -1892.343226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.343226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.343226 (E_RNA)
where:
Base-Base interactions energy: -1273.681
where: short stacking energy: -572.180
Base-Backbone interact. energy: -2.589
local terms energy: -616.073567
where:
bonds (distance) C4'-P energy: -130.943
bonds (distance) P-C4' energy: -112.858
flat angles C4'-P-C4' energy: -139.939
flat angles P-C4'-P energy: -72.812
tors. eta vs tors. theta energy: -159.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1453.817700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.817700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.817700 (E_RNA)
where:
Base-Base interactions energy: -945.435
where: short stacking energy: -413.316
Base-Backbone interact. energy: 1.286
local terms energy: -509.668369
where:
bonds (distance) C4'-P energy: -107.027
bonds (distance) P-C4' energy: -110.705
flat angles C4'-P-C4' energy: -126.850
flat angles P-C4'-P energy: -75.789
tors. eta vs tors. theta energy: -89.297
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: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1369.245424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.245424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.245424 (E_RNA)
where:
Base-Base interactions energy: -865.758
where: short stacking energy: -408.125
Base-Backbone interact. energy: -2.722
local terms energy: -500.765450
where:
bonds (distance) C4'-P energy: -107.632
bonds (distance) P-C4' energy: -116.561
flat angles C4'-P-C4' energy: -122.747
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -85.868
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: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1130.972719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.972719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.972719 (E_RNA)
where:
Base-Base interactions energy: -700.822
where: short stacking energy: -331.155
Base-Backbone interact. energy: -0.516
local terms energy: -429.634404
where:
bonds (distance) C4'-P energy: -99.904
bonds (distance) P-C4' energy: -100.775
flat angles C4'-P-C4' energy: -116.840
flat angles P-C4'-P energy: -62.082
tors. eta vs tors. theta energy: -50.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -734.571516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.571516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.571516 (E_RNA)
where:
Base-Base interactions energy: -331.890
where: short stacking energy: -194.264
Base-Backbone interact. energy: -1.099
local terms energy: -401.582673
where:
bonds (distance) C4'-P energy: -110.550
bonds (distance) P-C4' energy: -128.794
flat angles C4'-P-C4' energy: -90.958
flat angles P-C4'-P energy: -66.699
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -591.727891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.727891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.727891 (E_RNA)
where:
Base-Base interactions energy: -256.665
where: short stacking energy: -171.015
Base-Backbone interact. energy: 1.211
local terms energy: -336.273190
where:
bonds (distance) C4'-P energy: -106.340
bonds (distance) P-C4' energy: -104.644
flat angles C4'-P-C4' energy: -78.954
flat angles P-C4'-P energy: -48.231
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2252.029433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.029433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.029433 (E_RNA)
where:
Base-Base interactions energy: -1555.058
where: short stacking energy: -650.214
Base-Backbone interact. energy: -3.293
local terms energy: -693.678040
where:
bonds (distance) C4'-P energy: -130.434
bonds (distance) P-C4' energy: -137.917
flat angles C4'-P-C4' energy: -139.489
flat angles P-C4'-P energy: -105.391
tors. eta vs tors. theta energy: -180.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2204.258185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.258185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.258185 (E_RNA)
where:
Base-Base interactions energy: -1547.430
where: short stacking energy: -652.691
Base-Backbone interact. energy: -2.257
local terms energy: -654.571427
where:
bonds (distance) C4'-P energy: -114.277
bonds (distance) P-C4' energy: -129.399
flat angles C4'-P-C4' energy: -145.272
flat angles P-C4'-P energy: -89.800
tors. eta vs tors. theta energy: -175.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2102.646386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.646386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.646386 (E_RNA)
where:
Base-Base interactions energy: -1458.455
where: short stacking energy: -617.177
Base-Backbone interact. energy: 0.376
local terms energy: -644.567317
where:
bonds (distance) C4'-P energy: -121.552
bonds (distance) P-C4' energy: -132.077
flat angles C4'-P-C4' energy: -137.394
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: -164.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1905.268112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.268112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.268112 (E_RNA)
where:
Base-Base interactions energy: -1288.413
where: short stacking energy: -544.239
Base-Backbone interact. energy: -3.735
local terms energy: -613.119871
where:
bonds (distance) C4'-P energy: -118.822
bonds (distance) P-C4' energy: -136.489
flat angles C4'-P-C4' energy: -127.975
flat angles P-C4'-P energy: -89.771
tors. eta vs tors. theta energy: -140.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1862.063048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.063048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.063048 (E_RNA)
where:
Base-Base interactions energy: -1250.619
where: short stacking energy: -559.837
Base-Backbone interact. energy: -0.427
local terms energy: -611.016943
where:
bonds (distance) C4'-P energy: -108.338
bonds (distance) P-C4' energy: -114.180
flat angles C4'-P-C4' energy: -138.621
flat angles P-C4'-P energy: -88.219
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: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1503.811019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.811019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.811019 (E_RNA)
where:
Base-Base interactions energy: -944.330
where: short stacking energy: -451.615
Base-Backbone interact. energy: 0.098
local terms energy: -559.579389
where:
bonds (distance) C4'-P energy: -131.954
bonds (distance) P-C4' energy: -105.763
flat angles C4'-P-C4' energy: -128.253
flat angles P-C4'-P energy: -83.482
tors. eta vs tors. theta energy: -110.127
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: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1325.454218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.454218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.454218 (E_RNA)
where:
Base-Base interactions energy: -832.580
where: short stacking energy: -382.603
Base-Backbone interact. energy: 5.894
local terms energy: -498.768381
where:
bonds (distance) C4'-P energy: -111.568
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -123.462
flat angles P-C4'-P energy: -72.179
tors. eta vs tors. theta energy: -76.147
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: 128
Temperature: 1.250000
Total energy: -1142.104999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.104999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.104999 (E_RNA)
where:
Base-Base interactions energy: -666.758
where: short stacking energy: -319.260
Base-Backbone interact. energy: -0.605
local terms energy: -474.742548
where:
bonds (distance) C4'-P energy: -114.038
bonds (distance) P-C4' energy: -106.822
flat angles C4'-P-C4' energy: -119.905
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -62.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -658.808765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.808765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.808765 (E_RNA)
where:
Base-Base interactions energy: -320.226
where: short stacking energy: -237.125
Base-Backbone interact. energy: 4.663
local terms energy: -343.245867
where:
bonds (distance) C4'-P energy: -102.488
bonds (distance) P-C4' energy: -102.538
flat angles C4'-P-C4' energy: -96.412
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: -12.049
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: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -546.346906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.346906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.346906 (E_RNA)
where:
Base-Base interactions energy: -224.684
where: short stacking energy: -165.601
Base-Backbone interact. energy: 3.288
local terms energy: -324.950339
where:
bonds (distance) C4'-P energy: -110.998
bonds (distance) P-C4' energy: -105.271
flat angles C4'-P-C4' energy: -87.283
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: 36.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2266.386605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.386605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.386605 (E_RNA)
where:
Base-Base interactions energy: -1571.819
where: short stacking energy: -657.088
Base-Backbone interact. energy: -5.563
local terms energy: -689.004304
where:
bonds (distance) C4'-P energy: -125.849
bonds (distance) P-C4' energy: -131.948
flat angles C4'-P-C4' energy: -151.641
flat angles P-C4'-P energy: -106.128
tors. eta vs tors. theta energy: -173.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2228.485325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.485325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.485325 (E_RNA)
where:
Base-Base interactions energy: -1539.451
where: short stacking energy: -642.863
Base-Backbone interact. energy: -0.956
local terms energy: -688.078274
where:
bonds (distance) C4'-P energy: -126.732
bonds (distance) P-C4' energy: -139.104
flat angles C4'-P-C4' energy: -154.486
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -180.703
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: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2111.202793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.202793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.202793 (E_RNA)
where:
Base-Base interactions energy: -1473.951
where: short stacking energy: -613.330
Base-Backbone interact. energy: -3.461
local terms energy: -633.790988
where:
bonds (distance) C4'-P energy: -130.954
bonds (distance) P-C4' energy: -115.046
flat angles C4'-P-C4' energy: -139.849
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -168.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1919.825256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.825256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.825256 (E_RNA)
where:
Base-Base interactions energy: -1290.444
where: short stacking energy: -566.025
Base-Backbone interact. energy: -3.596
local terms energy: -625.784674
where:
bonds (distance) C4'-P energy: -123.270
bonds (distance) P-C4' energy: -124.556
flat angles C4'-P-C4' energy: -145.707
flat angles P-C4'-P energy: -93.682
tors. eta vs tors. theta energy: -138.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1858.524692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.524692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.524692 (E_RNA)
where:
Base-Base interactions energy: -1258.431
where: short stacking energy: -558.328
Base-Backbone interact. energy: -0.127
local terms energy: -599.967222
where:
bonds (distance) C4'-P energy: -116.273
bonds (distance) P-C4' energy: -126.127
flat angles C4'-P-C4' energy: -127.159
flat angles P-C4'-P energy: -83.293
tors. eta vs tors. theta energy: -147.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1502.200338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.200338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.200338 (E_RNA)
where:
Base-Base interactions energy: -964.231
where: short stacking energy: -459.541
Base-Backbone interact. energy: 4.046
local terms energy: -542.015407
where:
bonds (distance) C4'-P energy: -113.487
bonds (distance) P-C4' energy: -102.423
flat angles C4'-P-C4' energy: -135.250
flat angles P-C4'-P energy: -88.456
tors. eta vs tors. theta energy: -102.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1313.988832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.988832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.988832 (E_RNA)
where:
Base-Base interactions energy: -831.061
where: short stacking energy: -385.264
Base-Backbone interact. energy: -0.051
local terms energy: -482.877090
where:
bonds (distance) C4'-P energy: -115.093
bonds (distance) P-C4' energy: -109.807
flat angles C4'-P-C4' energy: -118.446
flat angles P-C4'-P energy: -74.829
tors. eta vs tors. theta energy: -64.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1149.619213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.619213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.619213 (E_RNA)
where:
Base-Base interactions energy: -668.256
where: short stacking energy: -333.540
Base-Backbone interact. energy: 0.437
local terms energy: -481.799808
where:
bonds (distance) C4'-P energy: -107.049
bonds (distance) P-C4' energy: -118.114
flat angles C4'-P-C4' energy: -101.318
flat angles P-C4'-P energy: -84.521
tors. eta vs tors. theta energy: -70.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -722.502013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.502013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.502013 (E_RNA)
where:
Base-Base interactions energy: -342.042
where: short stacking energy: -185.796
Base-Backbone interact. energy: 0.715
local terms energy: -381.174177
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -133.851
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -48.207
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -581.737491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.737491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.737491 (E_RNA)
where:
Base-Base interactions energy: -263.642
where: short stacking energy: -184.669
Base-Backbone interact. energy: -1.181
local terms energy: -316.914423
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -103.454
flat angles C4'-P-C4' energy: -82.305
flat angles P-C4'-P energy: -52.826
tors. eta vs tors. theta energy: 10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2301.154797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.154797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.154797 (E_RNA)
where:
Base-Base interactions energy: -1604.857
where: short stacking energy: -672.002
Base-Backbone interact. energy: -6.238
local terms energy: -690.060229
where:
bonds (distance) C4'-P energy: -132.071
bonds (distance) P-C4' energy: -134.825
flat angles C4'-P-C4' energy: -150.475
flat angles P-C4'-P energy: -88.526
tors. eta vs tors. theta energy: -184.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2182.019553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.019553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.019553 (E_RNA)
where:
Base-Base interactions energy: -1504.281
where: short stacking energy: -627.349
Base-Backbone interact. energy: 0.129
local terms energy: -677.867716
where:
bonds (distance) C4'-P energy: -126.569
bonds (distance) P-C4' energy: -147.274
flat angles C4'-P-C4' energy: -144.194
flat angles P-C4'-P energy: -77.313
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: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2149.899265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.899265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.899265 (E_RNA)
where:
Base-Base interactions energy: -1473.598
where: short stacking energy: -630.298
Base-Backbone interact. energy: -2.019
local terms energy: -674.282683
where:
bonds (distance) C4'-P energy: -131.796
bonds (distance) P-C4' energy: -129.958
flat angles C4'-P-C4' energy: -140.315
flat angles P-C4'-P energy: -93.164
tors. eta vs tors. theta energy: -179.050
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: 130
Temperature: 1.050000
Total energy: -1882.434209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.434209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.434209 (E_RNA)
where:
Base-Base interactions energy: -1253.594
where: short stacking energy: -557.223
Base-Backbone interact. energy: -0.226
local terms energy: -628.614397
where:
bonds (distance) C4'-P energy: -125.982
bonds (distance) P-C4' energy: -131.170
flat angles C4'-P-C4' energy: -136.524
flat angles P-C4'-P energy: -81.738
tors. eta vs tors. theta energy: -153.202
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1892.323118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.323118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.323118 (E_RNA)
where:
Base-Base interactions energy: -1287.379
where: short stacking energy: -559.842
Base-Backbone interact. energy: -1.727
local terms energy: -603.216237
where:
bonds (distance) C4'-P energy: -136.372
bonds (distance) P-C4' energy: -113.360
flat angles C4'-P-C4' energy: -141.345
flat angles P-C4'-P energy: -70.740
tors. eta vs tors. theta energy: -141.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1500.154054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.154054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.154054 (E_RNA)
where:
Base-Base interactions energy: -955.885
where: short stacking energy: -452.081
Base-Backbone interact. energy: -2.554
local terms energy: -541.714551
where:
bonds (distance) C4'-P energy: -109.857
bonds (distance) P-C4' energy: -120.353
flat angles C4'-P-C4' energy: -125.493
flat angles P-C4'-P energy: -82.445
tors. eta vs tors. theta energy: -103.567
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: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1368.826435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.826435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.826435 (E_RNA)
where:
Base-Base interactions energy: -875.107
where: short stacking energy: -396.592
Base-Backbone interact. energy: -2.098
local terms energy: -491.621386
where:
bonds (distance) C4'-P energy: -108.603
bonds (distance) P-C4' energy: -112.788
flat angles C4'-P-C4' energy: -119.795
flat angles P-C4'-P energy: -58.261
tors. eta vs tors. theta energy: -92.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1166.290805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.290805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.290805 (E_RNA)
where:
Base-Base interactions energy: -709.179
where: short stacking energy: -330.452
Base-Backbone interact. energy: 1.607
local terms energy: -458.718699
where:
bonds (distance) C4'-P energy: -108.253
bonds (distance) P-C4' energy: -106.783
flat angles C4'-P-C4' energy: -116.506
flat angles P-C4'-P energy: -67.482
tors. eta vs tors. theta energy: -59.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -758.252285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.252285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.252285 (E_RNA)
where:
Base-Base interactions energy: -373.275
where: short stacking energy: -187.470
Base-Backbone interact. energy: 5.477
local terms energy: -390.454930
where:
bonds (distance) C4'-P energy: -104.181
bonds (distance) P-C4' energy: -117.894
flat angles C4'-P-C4' energy: -110.798
flat angles P-C4'-P energy: -57.241
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -568.220253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.220253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.220253 (E_RNA)
where:
Base-Base interactions energy: -244.720
where: short stacking energy: -155.329
Base-Backbone interact. energy: 0.056
local terms energy: -323.555991
where:
bonds (distance) C4'-P energy: -81.687
bonds (distance) P-C4' energy: -126.278
flat angles C4'-P-C4' energy: -92.426
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: 20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2285.362204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.362204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.362204 (E_RNA)
where:
Base-Base interactions energy: -1594.738
where: short stacking energy: -661.233
Base-Backbone interact. energy: -3.940
local terms energy: -686.684324
where:
bonds (distance) C4'-P energy: -130.004
bonds (distance) P-C4' energy: -130.554
flat angles C4'-P-C4' energy: -138.665
flat angles P-C4'-P energy: -105.407
tors. eta vs tors. theta energy: -182.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2222.881232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.881232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.881232 (E_RNA)
where:
Base-Base interactions energy: -1563.941
where: short stacking energy: -658.257
Base-Backbone interact. energy: -0.669
local terms energy: -658.271691
where:
bonds (distance) C4'-P energy: -119.240
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -138.182
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -189.137
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: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2122.195956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.195956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.195956 (E_RNA)
where:
Base-Base interactions energy: -1505.148
where: short stacking energy: -621.463
Base-Backbone interact. energy: -3.831
local terms energy: -613.216412
where:
bonds (distance) C4'-P energy: -108.582
bonds (distance) P-C4' energy: -116.947
flat angles C4'-P-C4' energy: -126.748
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -178.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1909.641772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.641772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.641772 (E_RNA)
where:
Base-Base interactions energy: -1279.159
where: short stacking energy: -556.935
Base-Backbone interact. energy: -5.383
local terms energy: -625.099687
where:
bonds (distance) C4'-P energy: -122.608
bonds (distance) P-C4' energy: -124.821
flat angles C4'-P-C4' energy: -145.792
flat angles P-C4'-P energy: -87.767
tors. eta vs tors. theta energy: -144.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1850.813081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.813081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.813081 (E_RNA)
where:
Base-Base interactions energy: -1271.132
where: short stacking energy: -537.221
Base-Backbone interact. energy: -1.549
local terms energy: -578.131734
where:
bonds (distance) C4'-P energy: -104.123
bonds (distance) P-C4' energy: -129.256
flat angles C4'-P-C4' energy: -132.908
flat angles P-C4'-P energy: -79.609
tors. eta vs tors. theta energy: -132.236
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: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1518.089277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.089277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.089277 (E_RNA)
where:
Base-Base interactions energy: -970.373
where: short stacking energy: -449.452
Base-Backbone interact. energy: 1.941
local terms energy: -549.656550
where:
bonds (distance) C4'-P energy: -118.319
bonds (distance) P-C4' energy: -117.525
flat angles C4'-P-C4' energy: -143.573
flat angles P-C4'-P energy: -74.761
tors. eta vs tors. theta energy: -95.478
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: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1382.094283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.094283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.094283 (E_RNA)
where:
Base-Base interactions energy: -891.510
where: short stacking energy: -396.496
Base-Backbone interact. energy: 6.611
local terms energy: -497.195168
where:
bonds (distance) C4'-P energy: -115.862
bonds (distance) P-C4' energy: -118.130
flat angles C4'-P-C4' energy: -101.405
flat angles P-C4'-P energy: -66.214
tors. eta vs tors. theta energy: -95.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1153.641885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.641885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.641885 (E_RNA)
where:
Base-Base interactions energy: -690.074
where: short stacking energy: -342.726
Base-Backbone interact. energy: 1.529
local terms energy: -465.097586
where:
bonds (distance) C4'-P energy: -106.752
bonds (distance) P-C4' energy: -129.867
flat angles C4'-P-C4' energy: -105.741
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -63.608
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: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -722.848359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.848359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.848359 (E_RNA)
where:
Base-Base interactions energy: -335.714
where: short stacking energy: -186.567
Base-Backbone interact. energy: 3.482
local terms energy: -390.615502
where:
bonds (distance) C4'-P energy: -107.014
bonds (distance) P-C4' energy: -113.088
flat angles C4'-P-C4' energy: -119.301
flat angles P-C4'-P energy: -59.271
tors. eta vs tors. theta energy: 8.058
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: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -557.893813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.893813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.893813 (E_RNA)
where:
Base-Base interactions energy: -182.181
where: short stacking energy: -124.502
Base-Backbone interact. energy: -1.894
local terms energy: -373.818705
where:
bonds (distance) C4'-P energy: -109.397
bonds (distance) P-C4' energy: -117.607
flat angles C4'-P-C4' energy: -103.663
flat angles P-C4'-P energy: -57.044
tors. eta vs tors. theta energy: 13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2303.301851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.301851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.301851 (E_RNA)
where:
Base-Base interactions energy: -1578.955
where: short stacking energy: -657.393
Base-Backbone interact. energy: -2.181
local terms energy: -722.165745
where:
bonds (distance) C4'-P energy: -135.807
bonds (distance) P-C4' energy: -147.775
flat angles C4'-P-C4' energy: -143.161
flat angles P-C4'-P energy: -115.017
tors. eta vs tors. theta energy: -180.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2231.881127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.881127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.881127 (E_RNA)
where:
Base-Base interactions energy: -1540.734
where: short stacking energy: -619.625
Base-Backbone interact. energy: -2.433
local terms energy: -688.714179
where:
bonds (distance) C4'-P energy: -128.916
bonds (distance) P-C4' energy: -138.869
flat angles C4'-P-C4' energy: -142.421
flat angles P-C4'-P energy: -95.755
tors. eta vs tors. theta energy: -182.753
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: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2146.332169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.332169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.332169 (E_RNA)
where:
Base-Base interactions energy: -1484.440
where: short stacking energy: -622.280
Base-Backbone interact. energy: -4.156
local terms energy: -657.736585
where:
bonds (distance) C4'-P energy: -125.243
bonds (distance) P-C4' energy: -119.450
flat angles C4'-P-C4' energy: -151.452
flat angles P-C4'-P energy: -90.877
tors. eta vs tors. theta energy: -170.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1907.069023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.069023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.069023 (E_RNA)
where:
Base-Base interactions energy: -1302.666
where: short stacking energy: -554.055
Base-Backbone interact. energy: 2.503
local terms energy: -606.905837
where:
bonds (distance) C4'-P energy: -123.007
bonds (distance) P-C4' energy: -130.018
flat angles C4'-P-C4' energy: -136.672
flat angles P-C4'-P energy: -81.235
tors. eta vs tors. theta energy: -135.974
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: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1861.522726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.522726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.522726 (E_RNA)
where:
Base-Base interactions energy: -1246.827
where: short stacking energy: -534.794
Base-Backbone interact. energy: -3.371
local terms energy: -611.325222
where:
bonds (distance) C4'-P energy: -129.663
bonds (distance) P-C4' energy: -132.397
flat angles C4'-P-C4' energy: -136.278
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -138.828
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: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1502.903962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.903962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.903962 (E_RNA)
where:
Base-Base interactions energy: -962.523
where: short stacking energy: -458.081
Base-Backbone interact. energy: -2.738
local terms energy: -537.642722
where:
bonds (distance) C4'-P energy: -109.881
bonds (distance) P-C4' energy: -128.584
flat angles C4'-P-C4' energy: -117.783
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -107.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1413.218821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.218821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.218821 (E_RNA)
where:
Base-Base interactions energy: -902.275
where: short stacking energy: -417.678
Base-Backbone interact. energy: 3.368
local terms energy: -514.311525
where:
bonds (distance) C4'-P energy: -94.356
bonds (distance) P-C4' energy: -115.918
flat angles C4'-P-C4' energy: -119.923
flat angles P-C4'-P energy: -84.886
tors. eta vs tors. theta energy: -99.228
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: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1138.551768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.551768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.551768 (E_RNA)
where:
Base-Base interactions energy: -709.202
where: short stacking energy: -333.275
Base-Backbone interact. energy: 2.092
local terms energy: -431.441140
where:
bonds (distance) C4'-P energy: -103.044
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -106.214
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -54.308
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: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -685.630617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.630617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.630617 (E_RNA)
where:
Base-Base interactions energy: -338.402
where: short stacking energy: -214.218
Base-Backbone interact. energy: -0.474
local terms energy: -346.754800
where:
bonds (distance) C4'-P energy: -103.309
bonds (distance) P-C4' energy: -99.751
flat angles C4'-P-C4' energy: -87.223
flat angles P-C4'-P energy: -54.403
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -639.177062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.177062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.177062 (E_RNA)
where:
Base-Base interactions energy: -289.837
where: short stacking energy: -192.617
Base-Backbone interact. energy: -2.064
local terms energy: -347.275697
where:
bonds (distance) C4'-P energy: -89.224
bonds (distance) P-C4' energy: -95.959
flat angles C4'-P-C4' energy: -105.658
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2285.356272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.356272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.356272 (E_RNA)
where:
Base-Base interactions energy: -1569.686
where: short stacking energy: -669.888
Base-Backbone interact. energy: -2.178
local terms energy: -713.491417
where:
bonds (distance) C4'-P energy: -139.564
bonds (distance) P-C4' energy: -145.552
flat angles C4'-P-C4' energy: -146.137
flat angles P-C4'-P energy: -98.294
tors. eta vs tors. theta energy: -183.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2210.635058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.635058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.635058 (E_RNA)
where:
Base-Base interactions energy: -1525.169
where: short stacking energy: -643.409
Base-Backbone interact. energy: -1.509
local terms energy: -683.956670
where:
bonds (distance) C4'-P energy: -128.936
bonds (distance) P-C4' energy: -140.162
flat angles C4'-P-C4' energy: -146.062
flat angles P-C4'-P energy: -92.225
tors. eta vs tors. theta energy: -176.572
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: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2145.542254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.542254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.542254 (E_RNA)
where:
Base-Base interactions energy: -1473.518
where: short stacking energy: -635.501
Base-Backbone interact. energy: -1.632
local terms energy: -670.391873
where:
bonds (distance) C4'-P energy: -128.522
bonds (distance) P-C4' energy: -126.506
flat angles C4'-P-C4' energy: -143.338
flat angles P-C4'-P energy: -95.342
tors. eta vs tors. theta energy: -176.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1864.873574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.873574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.873574 (E_RNA)
where:
Base-Base interactions energy: -1256.935
where: short stacking energy: -574.344
Base-Backbone interact. energy: -4.387
local terms energy: -603.551303
where:
bonds (distance) C4'-P energy: -126.762
bonds (distance) P-C4' energy: -117.378
flat angles C4'-P-C4' energy: -132.781
flat angles P-C4'-P energy: -81.453
tors. eta vs tors. theta energy: -145.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1862.977150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.977150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.977150 (E_RNA)
where:
Base-Base interactions energy: -1271.677
where: short stacking energy: -559.950
Base-Backbone interact. energy: 1.291
local terms energy: -592.591108
where:
bonds (distance) C4'-P energy: -127.617
bonds (distance) P-C4' energy: -103.508
flat angles C4'-P-C4' energy: -133.848
flat angles P-C4'-P energy: -84.382
tors. eta vs tors. theta energy: -143.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1523.121068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.121068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.121068 (E_RNA)
where:
Base-Base interactions energy: -972.760
where: short stacking energy: -448.265
Base-Backbone interact. energy: 0.458
local terms energy: -550.819780
where:
bonds (distance) C4'-P energy: -117.526
bonds (distance) P-C4' energy: -118.199
flat angles C4'-P-C4' energy: -122.861
flat angles P-C4'-P energy: -82.452
tors. eta vs tors. theta energy: -109.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1240.197628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.197628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.197628 (E_RNA)
where:
Base-Base interactions energy: -803.527
where: short stacking energy: -371.282
Base-Backbone interact. energy: -0.656
local terms energy: -436.014843
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -122.073
flat angles C4'-P-C4' energy: -103.596
flat angles P-C4'-P energy: -57.699
tors. eta vs tors. theta energy: -60.470
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: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1146.493555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.493555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.493555 (E_RNA)
where:
Base-Base interactions energy: -692.906
where: short stacking energy: -331.256
Base-Backbone interact. energy: -3.596
local terms energy: -449.991571
where:
bonds (distance) C4'-P energy: -103.003
bonds (distance) P-C4' energy: -116.661
flat angles C4'-P-C4' energy: -110.188
flat angles P-C4'-P energy: -65.688
tors. eta vs tors. theta energy: -54.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -822.508060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.508060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.508060 (E_RNA)
where:
Base-Base interactions energy: -422.259
where: short stacking energy: -241.582
Base-Backbone interact. energy: -1.102
local terms energy: -399.147015
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -116.217
flat angles C4'-P-C4' energy: -100.043
flat angles P-C4'-P energy: -56.843
tors. eta vs tors. theta energy: -20.984
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: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -600.885955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.885955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.885955 (E_RNA)
where:
Base-Base interactions energy: -255.652
where: short stacking energy: -175.541
Base-Backbone interact. energy: 2.737
local terms energy: -347.971469
where:
bonds (distance) C4'-P energy: -110.549
bonds (distance) P-C4' energy: -107.424
flat angles C4'-P-C4' energy: -82.133
flat angles P-C4'-P energy: -55.785
tors. eta vs tors. theta energy: 7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2312.297398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.297398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.297398 (E_RNA)
where:
Base-Base interactions energy: -1583.382
where: short stacking energy: -653.651
Base-Backbone interact. energy: -3.606
local terms energy: -725.309429
where:
bonds (distance) C4'-P energy: -128.254
bonds (distance) P-C4' energy: -140.204
flat angles C4'-P-C4' energy: -159.652
flat angles P-C4'-P energy: -104.680
tors. eta vs tors. theta energy: -192.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2196.720783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.720783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.720783 (E_RNA)
where:
Base-Base interactions energy: -1513.045
where: short stacking energy: -627.117
Base-Backbone interact. energy: -3.700
local terms energy: -679.975784
where:
bonds (distance) C4'-P energy: -129.208
bonds (distance) P-C4' energy: -142.887
flat angles C4'-P-C4' energy: -141.225
flat angles P-C4'-P energy: -95.412
tors. eta vs tors. theta energy: -171.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2163.349679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.349679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.349679 (E_RNA)
where:
Base-Base interactions energy: -1506.255
where: short stacking energy: -623.508
Base-Backbone interact. energy: 1.190
local terms energy: -658.285657
where:
bonds (distance) C4'-P energy: -125.212
bonds (distance) P-C4' energy: -125.174
flat angles C4'-P-C4' energy: -138.212
flat angles P-C4'-P energy: -94.228
tors. eta vs tors. theta energy: -175.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1897.703880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.703880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.703880 (E_RNA)
where:
Base-Base interactions energy: -1279.679
where: short stacking energy: -562.776
Base-Backbone interact. energy: -3.117
local terms energy: -614.907837
where:
bonds (distance) C4'-P energy: -124.159
bonds (distance) P-C4' energy: -130.931
flat angles C4'-P-C4' energy: -120.110
flat angles P-C4'-P energy: -94.607
tors. eta vs tors. theta energy: -145.101
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: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1826.124297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.124297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.124297 (E_RNA)
where:
Base-Base interactions energy: -1241.640
where: short stacking energy: -534.416
Base-Backbone interact. energy: -2.293
local terms energy: -582.191558
where:
bonds (distance) C4'-P energy: -105.988
bonds (distance) P-C4' energy: -139.002
flat angles C4'-P-C4' energy: -133.206
flat angles P-C4'-P energy: -75.748
tors. eta vs tors. theta energy: -128.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1509.865270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.865270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.865270 (E_RNA)
where:
Base-Base interactions energy: -966.789
where: short stacking energy: -461.741
Base-Backbone interact. energy: -1.969
local terms energy: -541.106967
where:
bonds (distance) C4'-P energy: -112.486
bonds (distance) P-C4' energy: -125.945
flat angles C4'-P-C4' energy: -119.625
flat angles P-C4'-P energy: -80.144
tors. eta vs tors. theta energy: -102.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1246.678401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.678401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.678401 (E_RNA)
where:
Base-Base interactions energy: -779.666
where: short stacking energy: -388.235
Base-Backbone interact. energy: 4.409
local terms energy: -471.421199
where:
bonds (distance) C4'-P energy: -111.258
bonds (distance) P-C4' energy: -100.655
flat angles C4'-P-C4' energy: -114.111
flat angles P-C4'-P energy: -68.321
tors. eta vs tors. theta energy: -77.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1190.346321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.346321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.346321 (E_RNA)
where:
Base-Base interactions energy: -719.203
where: short stacking energy: -330.248
Base-Backbone interact. energy: -1.971
local terms energy: -469.172528
where:
bonds (distance) C4'-P energy: -95.306
bonds (distance) P-C4' energy: -130.337
flat angles C4'-P-C4' energy: -104.549
flat angles P-C4'-P energy: -80.770
tors. eta vs tors. theta energy: -58.211
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: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -803.992586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.992586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.992586 (E_RNA)
where:
Base-Base interactions energy: -404.564
where: short stacking energy: -240.740
Base-Backbone interact. energy: 0.302
local terms energy: -399.730008
where:
bonds (distance) C4'-P energy: -112.252
bonds (distance) P-C4' energy: -106.577
flat angles C4'-P-C4' energy: -104.648
flat angles P-C4'-P energy: -49.696
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -665.768367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.768367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.768367 (E_RNA)
where:
Base-Base interactions energy: -320.101
where: short stacking energy: -208.782
Base-Backbone interact. energy: -0.806
local terms energy: -344.860753
where:
bonds (distance) C4'-P energy: -99.418
bonds (distance) P-C4' energy: -115.585
flat angles C4'-P-C4' energy: -98.867
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -9.594
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: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2266.125805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.125805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.125805 (E_RNA)
where:
Base-Base interactions energy: -1555.132
where: short stacking energy: -651.727
Base-Backbone interact. energy: -3.125
local terms energy: -707.868619
where:
bonds (distance) C4'-P energy: -138.378
bonds (distance) P-C4' energy: -122.595
flat angles C4'-P-C4' energy: -156.757
flat angles P-C4'-P energy: -99.935
tors. eta vs tors. theta energy: -190.204
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: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2201.861052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.861052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.861052 (E_RNA)
where:
Base-Base interactions energy: -1547.526
where: short stacking energy: -639.727
Base-Backbone interact. energy: -0.376
local terms energy: -653.958927
where:
bonds (distance) C4'-P energy: -101.436
bonds (distance) P-C4' energy: -131.893
flat angles C4'-P-C4' energy: -149.022
flat angles P-C4'-P energy: -94.819
tors. eta vs tors. theta energy: -176.788
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: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2137.788275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.788275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.788275 (E_RNA)
where:
Base-Base interactions energy: -1494.411
where: short stacking energy: -606.716
Base-Backbone interact. energy: -0.211
local terms energy: -643.166745
where:
bonds (distance) C4'-P energy: -123.887
bonds (distance) P-C4' energy: -116.129
flat angles C4'-P-C4' energy: -144.444
flat angles P-C4'-P energy: -86.220
tors. eta vs tors. theta energy: -172.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1844.892553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.892553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.892553 (E_RNA)
where:
Base-Base interactions energy: -1236.069
where: short stacking energy: -568.375
Base-Backbone interact. energy: 0.903
local terms energy: -609.726958
where:
bonds (distance) C4'-P energy: -116.292
bonds (distance) P-C4' energy: -115.463
flat angles C4'-P-C4' energy: -140.283
flat angles P-C4'-P energy: -87.501
tors. eta vs tors. theta energy: -150.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1873.430834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.430834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.430834 (E_RNA)
where:
Base-Base interactions energy: -1230.986
where: short stacking energy: -536.052
Base-Backbone interact. energy: 3.886
local terms energy: -646.331477
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -131.875
flat angles C4'-P-C4' energy: -146.178
flat angles P-C4'-P energy: -95.566
tors. eta vs tors. theta energy: -153.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1547.237821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.237821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.237821 (E_RNA)
where:
Base-Base interactions energy: -1000.748
where: short stacking energy: -450.338
Base-Backbone interact. energy: 4.571
local terms energy: -551.061194
where:
bonds (distance) C4'-P energy: -104.229
bonds (distance) P-C4' energy: -127.737
flat angles C4'-P-C4' energy: -140.055
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -103.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1239.546977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.546977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.546977 (E_RNA)
where:
Base-Base interactions energy: -762.835
where: short stacking energy: -361.354
Base-Backbone interact. energy: 1.148
local terms energy: -477.859556
where:
bonds (distance) C4'-P energy: -100.133
bonds (distance) P-C4' energy: -123.461
flat angles C4'-P-C4' energy: -116.131
flat angles P-C4'-P energy: -68.291
tors. eta vs tors. theta energy: -69.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1141.906966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.906966 (E_RNA)
where:
Base-Base interactions energy: -692.994
where: short stacking energy: -324.666
Base-Backbone interact. energy: -0.718
local terms energy: -448.194353
where:
bonds (distance) C4'-P energy: -107.386
bonds (distance) P-C4' energy: -128.498
flat angles C4'-P-C4' energy: -97.083
flat angles P-C4'-P energy: -61.592
tors. eta vs tors. theta energy: -53.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -805.280365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.280365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.280365 (E_RNA)
where:
Base-Base interactions energy: -426.578
where: short stacking energy: -270.951
Base-Backbone interact. energy: -1.675
local terms energy: -377.027398
where:
bonds (distance) C4'-P energy: -101.632
bonds (distance) P-C4' energy: -111.253
flat angles C4'-P-C4' energy: -91.550
flat angles P-C4'-P energy: -46.214
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -684.430846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.430846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.430846 (E_RNA)
where:
Base-Base interactions energy: -338.234
where: short stacking energy: -220.766
Base-Backbone interact. energy: 0.013
local terms energy: -346.209581
where:
bonds (distance) C4'-P energy: -91.177
bonds (distance) P-C4' energy: -106.450
flat angles C4'-P-C4' energy: -95.435
flat angles P-C4'-P energy: -49.608
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2282.084677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.084677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.084677 (E_RNA)
where:
Base-Base interactions energy: -1587.510
where: short stacking energy: -678.453
Base-Backbone interact. energy: -2.867
local terms energy: -691.707624
where:
bonds (distance) C4'-P energy: -134.533
bonds (distance) P-C4' energy: -119.731
flat angles C4'-P-C4' energy: -162.186
flat angles P-C4'-P energy: -89.689
tors. eta vs tors. theta energy: -185.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2205.902078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.902078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.902078 (E_RNA)
where:
Base-Base interactions energy: -1516.197
where: short stacking energy: -660.914
Base-Backbone interact. energy: -4.605
local terms energy: -685.100023
where:
bonds (distance) C4'-P energy: -136.939
bonds (distance) P-C4' energy: -130.291
flat angles C4'-P-C4' energy: -145.027
flat angles P-C4'-P energy: -95.251
tors. eta vs tors. theta energy: -177.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2103.763720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.763720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.763720 (E_RNA)
where:
Base-Base interactions energy: -1439.298
where: short stacking energy: -608.934
Base-Backbone interact. energy: -1.702
local terms energy: -662.763352
where:
bonds (distance) C4'-P energy: -112.395
bonds (distance) P-C4' energy: -121.605
flat angles C4'-P-C4' energy: -158.142
flat angles P-C4'-P energy: -102.614
tors. eta vs tors. theta energy: -168.008
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: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1890.768385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.768385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.768385 (E_RNA)
where:
Base-Base interactions energy: -1264.329
where: short stacking energy: -560.480
Base-Backbone interact. energy: 0.271
local terms energy: -626.709537
where:
bonds (distance) C4'-P energy: -124.534
bonds (distance) P-C4' energy: -124.184
flat angles C4'-P-C4' energy: -134.159
flat angles P-C4'-P energy: -94.744
tors. eta vs tors. theta energy: -149.088
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: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1885.963268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.963268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.963268 (E_RNA)
where:
Base-Base interactions energy: -1313.167
where: short stacking energy: -556.195
Base-Backbone interact. energy: -0.546
local terms energy: -572.249965
where:
bonds (distance) C4'-P energy: -110.502
bonds (distance) P-C4' energy: -107.927
flat angles C4'-P-C4' energy: -132.273
flat angles P-C4'-P energy: -91.419
tors. eta vs tors. theta energy: -130.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1531.625801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.625801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.625801 (E_RNA)
where:
Base-Base interactions energy: -987.637
where: short stacking energy: -451.665
Base-Backbone interact. energy: -1.730
local terms energy: -542.258524
where:
bonds (distance) C4'-P energy: -115.719
bonds (distance) P-C4' energy: -114.075
flat angles C4'-P-C4' energy: -118.183
flat angles P-C4'-P energy: -94.879
tors. eta vs tors. theta energy: -99.403
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: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1201.681505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.681505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.681505 (E_RNA)
where:
Base-Base interactions energy: -738.278
where: short stacking energy: -331.984
Base-Backbone interact. energy: 1.131
local terms energy: -464.534319
where:
bonds (distance) C4'-P energy: -103.306
bonds (distance) P-C4' energy: -126.893
flat angles C4'-P-C4' energy: -105.814
flat angles P-C4'-P energy: -68.848
tors. eta vs tors. theta energy: -59.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1107.221363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.221363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.221363 (E_RNA)
where:
Base-Base interactions energy: -697.577
where: short stacking energy: -294.541
Base-Backbone interact. energy: -3.600
local terms energy: -406.045072
where:
bonds (distance) C4'-P energy: -106.446
bonds (distance) P-C4' energy: -110.032
flat angles C4'-P-C4' energy: -109.402
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -31.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -749.144705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.144705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.144705 (E_RNA)
where:
Base-Base interactions energy: -354.783
where: short stacking energy: -212.033
Base-Backbone interact. energy: 2.393
local terms energy: -396.755272
where:
bonds (distance) C4'-P energy: -104.851
bonds (distance) P-C4' energy: -117.110
flat angles C4'-P-C4' energy: -107.251
flat angles P-C4'-P energy: -74.919
tors. eta vs tors. theta energy: 7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -683.401634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.401634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.401634 (E_RNA)
where:
Base-Base interactions energy: -323.314
where: short stacking energy: -207.963
Base-Backbone interact. energy: -0.081
local terms energy: -360.006058
where:
bonds (distance) C4'-P energy: -103.549
bonds (distance) P-C4' energy: -94.455
flat angles C4'-P-C4' energy: -96.812
flat angles P-C4'-P energy: -58.271
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2290.203130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.203130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.203130 (E_RNA)
where:
Base-Base interactions energy: -1572.506
where: short stacking energy: -657.529
Base-Backbone interact. energy: -2.898
local terms energy: -714.798669
where:
bonds (distance) C4'-P energy: -145.637
bonds (distance) P-C4' energy: -145.709
flat angles C4'-P-C4' energy: -151.665
flat angles P-C4'-P energy: -79.047
tors. eta vs tors. theta energy: -192.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2193.943068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.943068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.943068 (E_RNA)
where:
Base-Base interactions energy: -1541.852
where: short stacking energy: -627.073
Base-Backbone interact. energy: -0.768
local terms energy: -651.323307
where:
bonds (distance) C4'-P energy: -111.037
bonds (distance) P-C4' energy: -123.707
flat angles C4'-P-C4' energy: -147.759
flat angles P-C4'-P energy: -91.599
tors. eta vs tors. theta energy: -177.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2120.890314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.890314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.890314 (E_RNA)
where:
Base-Base interactions energy: -1464.037
where: short stacking energy: -604.907
Base-Backbone interact. energy: -2.104
local terms energy: -654.749836
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -139.215
flat angles C4'-P-C4' energy: -138.576
flat angles P-C4'-P energy: -86.075
tors. eta vs tors. theta energy: -167.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1862.422203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.422203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.422203 (E_RNA)
where:
Base-Base interactions energy: -1252.574
where: short stacking energy: -555.175
Base-Backbone interact. energy: -2.677
local terms energy: -607.171216
where:
bonds (distance) C4'-P energy: -125.223
bonds (distance) P-C4' energy: -106.556
flat angles C4'-P-C4' energy: -149.147
flat angles P-C4'-P energy: -73.879
tors. eta vs tors. theta energy: -152.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1853.201865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.201865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.201865 (E_RNA)
where:
Base-Base interactions energy: -1257.185
where: short stacking energy: -534.451
Base-Backbone interact. energy: -0.165
local terms energy: -595.851091
where:
bonds (distance) C4'-P energy: -102.724
bonds (distance) P-C4' energy: -126.242
flat angles C4'-P-C4' energy: -130.775
flat angles P-C4'-P energy: -94.050
tors. eta vs tors. theta energy: -142.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1555.402016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.402016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.402016 (E_RNA)
where:
Base-Base interactions energy: -999.727
where: short stacking energy: -427.178
Base-Backbone interact. energy: -2.709
local terms energy: -552.965544
where:
bonds (distance) C4'-P energy: -119.065
bonds (distance) P-C4' energy: -130.350
flat angles C4'-P-C4' energy: -129.148
flat angles P-C4'-P energy: -87.077
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1221.573257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.573257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.573257 (E_RNA)
where:
Base-Base interactions energy: -762.809
where: short stacking energy: -340.118
Base-Backbone interact. energy: -5.497
local terms energy: -453.267382
where:
bonds (distance) C4'-P energy: -110.773
bonds (distance) P-C4' energy: -104.831
flat angles C4'-P-C4' energy: -117.515
flat angles P-C4'-P energy: -67.593
tors. eta vs tors. theta energy: -52.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1183.486971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.486971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.486971 (E_RNA)
where:
Base-Base interactions energy: -734.627
where: short stacking energy: -341.136
Base-Backbone interact. energy: -0.570
local terms energy: -448.289912
where:
bonds (distance) C4'-P energy: -115.980
bonds (distance) P-C4' energy: -106.114
flat angles C4'-P-C4' energy: -129.131
flat angles P-C4'-P energy: -45.578
tors. eta vs tors. theta energy: -51.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -716.931318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.931318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.931318 (E_RNA)
where:
Base-Base interactions energy: -352.162
where: short stacking energy: -234.922
Base-Backbone interact. energy: 0.256
local terms energy: -365.024718
where:
bonds (distance) C4'-P energy: -103.767
bonds (distance) P-C4' energy: -96.010
flat angles C4'-P-C4' energy: -96.419
flat angles P-C4'-P energy: -61.230
tors. eta vs tors. theta energy: -7.598
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: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -732.641865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.641865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.641865 (E_RNA)
where:
Base-Base interactions energy: -371.888
where: short stacking energy: -229.826
Base-Backbone interact. energy: -2.216
local terms energy: -358.537202
where:
bonds (distance) C4'-P energy: -88.252
bonds (distance) P-C4' energy: -101.889
flat angles C4'-P-C4' energy: -99.547
flat angles P-C4'-P energy: -56.345
tors. eta vs tors. theta energy: -12.504
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: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2304.639509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.639509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.639509 (E_RNA)
where:
Base-Base interactions energy: -1577.854
where: short stacking energy: -668.605
Base-Backbone interact. energy: -0.293
local terms energy: -726.491817
where:
bonds (distance) C4'-P energy: -132.041
bonds (distance) P-C4' energy: -133.649
flat angles C4'-P-C4' energy: -158.002
flat angles P-C4'-P energy: -108.335
tors. eta vs tors. theta energy: -194.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2176.375591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.375591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.375591 (E_RNA)
where:
Base-Base interactions energy: -1510.782
where: short stacking energy: -624.752
Base-Backbone interact. energy: 0.385
local terms energy: -665.978569
where:
bonds (distance) C4'-P energy: -130.540
bonds (distance) P-C4' energy: -118.891
flat angles C4'-P-C4' energy: -155.483
flat angles P-C4'-P energy: -85.282
tors. eta vs tors. theta energy: -175.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2102.261390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.261390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.261390 (E_RNA)
where:
Base-Base interactions energy: -1464.758
where: short stacking energy: -601.082
Base-Backbone interact. energy: -1.000
local terms energy: -636.502686
where:
bonds (distance) C4'-P energy: -111.920
bonds (distance) P-C4' energy: -121.775
flat angles C4'-P-C4' energy: -152.496
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -163.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1830.241298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.241298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.241298 (E_RNA)
where:
Base-Base interactions energy: -1228.807
where: short stacking energy: -554.235
Base-Backbone interact. energy: -2.058
local terms energy: -599.375948
where:
bonds (distance) C4'-P energy: -113.482
bonds (distance) P-C4' energy: -121.238
flat angles C4'-P-C4' energy: -135.997
flat angles P-C4'-P energy: -88.962
tors. eta vs tors. theta energy: -139.696
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: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1785.028655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.028655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.028655 (E_RNA)
where:
Base-Base interactions energy: -1209.621
where: short stacking energy: -505.314
Base-Backbone interact. energy: -1.155
local terms energy: -574.252371
where:
bonds (distance) C4'-P energy: -108.357
bonds (distance) P-C4' energy: -129.614
flat angles C4'-P-C4' energy: -117.553
flat angles P-C4'-P energy: -93.437
tors. eta vs tors. theta energy: -125.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1526.623162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.623162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.623162 (E_RNA)
where:
Base-Base interactions energy: -1019.144
where: short stacking energy: -450.760
Base-Backbone interact. energy: 1.220
local terms energy: -508.699722
where:
bonds (distance) C4'-P energy: -86.514
bonds (distance) P-C4' energy: -113.443
flat angles C4'-P-C4' energy: -114.925
flat angles P-C4'-P energy: -84.258
tors. eta vs tors. theta energy: -109.560
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: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1282.619396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.619396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.619396 (E_RNA)
where:
Base-Base interactions energy: -767.776
where: short stacking energy: -372.340
Base-Backbone interact. energy: 0.015
local terms energy: -514.858788
where:
bonds (distance) C4'-P energy: -116.367
bonds (distance) P-C4' energy: -116.527
flat angles C4'-P-C4' energy: -127.253
flat angles P-C4'-P energy: -77.568
tors. eta vs tors. theta energy: -77.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1191.625746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.625746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.625746 (E_RNA)
where:
Base-Base interactions energy: -736.134
where: short stacking energy: -344.277
Base-Backbone interact. energy: -0.087
local terms energy: -455.405076
where:
bonds (distance) C4'-P energy: -95.017
bonds (distance) P-C4' energy: -115.398
flat angles C4'-P-C4' energy: -120.603
flat angles P-C4'-P energy: -58.929
tors. eta vs tors. theta energy: -65.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -779.625900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.625900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.625900 (E_RNA)
where:
Base-Base interactions energy: -385.541
where: short stacking energy: -221.461
Base-Backbone interact. energy: -3.482
local terms energy: -390.603450
where:
bonds (distance) C4'-P energy: -99.321
bonds (distance) P-C4' energy: -107.153
flat angles C4'-P-C4' energy: -107.723
flat angles P-C4'-P energy: -57.444
tors. eta vs tors. theta energy: -18.963
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: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -641.772335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.772335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.772335 (E_RNA)
where:
Base-Base interactions energy: -275.666
where: short stacking energy: -200.106
Base-Backbone interact. energy: 1.850
local terms energy: -367.956587
where:
bonds (distance) C4'-P energy: -104.984
bonds (distance) P-C4' energy: -120.745
flat angles C4'-P-C4' energy: -90.531
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2284.571630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.571630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.571630 (E_RNA)
where:
Base-Base interactions energy: -1579.956
where: short stacking energy: -674.309
Base-Backbone interact. energy: -1.576
local terms energy: -703.039610
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -155.675
flat angles P-C4'-P energy: -106.636
tors. eta vs tors. theta energy: -194.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2216.056607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.056607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.056607 (E_RNA)
where:
Base-Base interactions energy: -1520.889
where: short stacking energy: -668.061
Base-Backbone interact. energy: -2.418
local terms energy: -692.749802
where:
bonds (distance) C4'-P energy: -141.814
bonds (distance) P-C4' energy: -119.613
flat angles C4'-P-C4' energy: -128.626
flat angles P-C4'-P energy: -107.825
tors. eta vs tors. theta energy: -194.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2101.690987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.690987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.690987 (E_RNA)
where:
Base-Base interactions energy: -1453.424
where: short stacking energy: -585.363
Base-Backbone interact. energy: -3.407
local terms energy: -644.860449
where:
bonds (distance) C4'-P energy: -113.971
bonds (distance) P-C4' energy: -124.211
flat angles C4'-P-C4' energy: -143.958
flat angles P-C4'-P energy: -102.854
tors. eta vs tors. theta energy: -159.867
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: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1844.552684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.552684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.552684 (E_RNA)
where:
Base-Base interactions energy: -1237.072
where: short stacking energy: -566.583
Base-Backbone interact. energy: -0.062
local terms energy: -607.417928
where:
bonds (distance) C4'-P energy: -123.045
bonds (distance) P-C4' energy: -128.250
flat angles C4'-P-C4' energy: -126.388
flat angles P-C4'-P energy: -91.178
tors. eta vs tors. theta energy: -138.556
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: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1863.973990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.973990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.973990 (E_RNA)
where:
Base-Base interactions energy: -1294.735
where: short stacking energy: -561.054
Base-Backbone interact. energy: -0.410
local terms energy: -568.828980
where:
bonds (distance) C4'-P energy: -98.211
bonds (distance) P-C4' energy: -111.027
flat angles C4'-P-C4' energy: -132.455
flat angles P-C4'-P energy: -78.300
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: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1543.965991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.965991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.965991 (E_RNA)
where:
Base-Base interactions energy: -1004.808
where: short stacking energy: -483.006
Base-Backbone interact. energy: -0.041
local terms energy: -539.117457
where:
bonds (distance) C4'-P energy: -104.002
bonds (distance) P-C4' energy: -108.123
flat angles C4'-P-C4' energy: -136.672
flat angles P-C4'-P energy: -79.252
tors. eta vs tors. theta energy: -111.069
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: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1268.685659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.685659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.685659 (E_RNA)
where:
Base-Base interactions energy: -761.458
where: short stacking energy: -378.311
Base-Backbone interact. energy: -0.116
local terms energy: -507.111929
where:
bonds (distance) C4'-P energy: -110.076
bonds (distance) P-C4' energy: -114.335
flat angles C4'-P-C4' energy: -124.931
flat angles P-C4'-P energy: -80.232
tors. eta vs tors. theta energy: -77.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1151.586663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.586663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.586663 (E_RNA)
where:
Base-Base interactions energy: -704.433
where: short stacking energy: -339.350
Base-Backbone interact. energy: -2.665
local terms energy: -444.488999
where:
bonds (distance) C4'-P energy: -100.331
bonds (distance) P-C4' energy: -103.936
flat angles C4'-P-C4' energy: -104.571
flat angles P-C4'-P energy: -75.778
tors. eta vs tors. theta energy: -59.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -776.334362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.334362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.334362 (E_RNA)
where:
Base-Base interactions energy: -429.572
where: short stacking energy: -261.696
Base-Backbone interact. energy: 0.608
local terms energy: -347.370215
where:
bonds (distance) C4'-P energy: -82.771
bonds (distance) P-C4' energy: -95.662
flat angles C4'-P-C4' energy: -99.228
flat angles P-C4'-P energy: -60.066
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -641.690890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.690890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.690890 (E_RNA)
where:
Base-Base interactions energy: -327.479
where: short stacking energy: -206.914
Base-Backbone interact. energy: 2.171
local terms energy: -316.383057
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -105.600
flat angles C4'-P-C4' energy: -78.718
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2291.589548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.589548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.589548 (E_RNA)
where:
Base-Base interactions energy: -1593.151
where: short stacking energy: -647.768
Base-Backbone interact. energy: -1.113
local terms energy: -697.325853
where:
bonds (distance) C4'-P energy: -130.230
bonds (distance) P-C4' energy: -129.301
flat angles C4'-P-C4' energy: -149.018
flat angles P-C4'-P energy: -96.556
tors. eta vs tors. theta energy: -192.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2180.991638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.991638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.991638 (E_RNA)
where:
Base-Base interactions energy: -1534.497
where: short stacking energy: -644.159
Base-Backbone interact. energy: -1.328
local terms energy: -645.167173
where:
bonds (distance) C4'-P energy: -118.131
bonds (distance) P-C4' energy: -114.168
flat angles C4'-P-C4' energy: -148.068
flat angles P-C4'-P energy: -94.671
tors. eta vs tors. theta energy: -170.129
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: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2113.504024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.504024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.504024 (E_RNA)
where:
Base-Base interactions energy: -1458.917
where: short stacking energy: -623.700
Base-Backbone interact. energy: -2.240
local terms energy: -652.346670
where:
bonds (distance) C4'-P energy: -117.590
bonds (distance) P-C4' energy: -123.480
flat angles C4'-P-C4' energy: -143.675
flat angles P-C4'-P energy: -99.687
tors. eta vs tors. theta energy: -167.914
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: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1854.077698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.077698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.077698 (E_RNA)
where:
Base-Base interactions energy: -1269.769
where: short stacking energy: -538.583
Base-Backbone interact. energy: 3.111
local terms energy: -587.419895
where:
bonds (distance) C4'-P energy: -116.713
bonds (distance) P-C4' energy: -119.209
flat angles C4'-P-C4' energy: -138.554
flat angles P-C4'-P energy: -75.156
tors. eta vs tors. theta energy: -137.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1806.461432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.461432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.461432 (E_RNA)
where:
Base-Base interactions energy: -1229.387
where: short stacking energy: -538.511
Base-Backbone interact. energy: -2.629
local terms energy: -574.444881
where:
bonds (distance) C4'-P energy: -111.835
bonds (distance) P-C4' energy: -123.491
flat angles C4'-P-C4' energy: -140.295
flat angles P-C4'-P energy: -70.091
tors. eta vs tors. theta energy: -128.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1588.376713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.376713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.376713 (E_RNA)
where:
Base-Base interactions energy: -1042.882
where: short stacking energy: -493.106
Base-Backbone interact. energy: 1.482
local terms energy: -546.976794
where:
bonds (distance) C4'-P energy: -119.380
bonds (distance) P-C4' energy: -113.797
flat angles C4'-P-C4' energy: -132.949
flat angles P-C4'-P energy: -81.040
tors. eta vs tors. theta energy: -99.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1229.739415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.739415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.739415 (E_RNA)
where:
Base-Base interactions energy: -749.902
where: short stacking energy: -353.435
Base-Backbone interact. energy: -2.882
local terms energy: -476.955479
where:
bonds (distance) C4'-P energy: -110.457
bonds (distance) P-C4' energy: -114.328
flat angles C4'-P-C4' energy: -117.690
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -61.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1115.044184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.044184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.044184 (E_RNA)
where:
Base-Base interactions energy: -711.309
where: short stacking energy: -323.844
Base-Backbone interact. energy: -0.859
local terms energy: -402.876119
where:
bonds (distance) C4'-P energy: -113.841
bonds (distance) P-C4' energy: -94.873
flat angles C4'-P-C4' energy: -107.130
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -31.905
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: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -787.629035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.629035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.629035 (E_RNA)
where:
Base-Base interactions energy: -406.192
where: short stacking energy: -248.732
Base-Backbone interact. energy: 3.518
local terms energy: -384.955230
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -112.070
flat angles C4'-P-C4' energy: -90.886
flat angles P-C4'-P energy: -57.443
tors. eta vs tors. theta energy: -21.141
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: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -660.979015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.979015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.979015 (E_RNA)
where:
Base-Base interactions energy: -321.803
where: short stacking energy: -221.540
Base-Backbone interact. energy: 1.160
local terms energy: -340.336107
where:
bonds (distance) C4'-P energy: -95.522
bonds (distance) P-C4' energy: -113.596
flat angles C4'-P-C4' energy: -84.983
flat angles P-C4'-P energy: -37.434
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: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2291.642353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.642353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.642353 (E_RNA)
where:
Base-Base interactions energy: -1609.036
where: short stacking energy: -665.061
Base-Backbone interact. energy: 1.025
local terms energy: -683.631174
where:
bonds (distance) C4'-P energy: -119.855
bonds (distance) P-C4' energy: -136.274
flat angles C4'-P-C4' energy: -150.053
flat angles P-C4'-P energy: -90.367
tors. eta vs tors. theta energy: -187.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2173.285425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.285425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.285425 (E_RNA)
where:
Base-Base interactions energy: -1516.388
where: short stacking energy: -633.182
Base-Backbone interact. energy: -1.813
local terms energy: -655.085260
where:
bonds (distance) C4'-P energy: -126.531
bonds (distance) P-C4' energy: -130.462
flat angles C4'-P-C4' energy: -143.214
flat angles P-C4'-P energy: -79.410
tors. eta vs tors. theta energy: -175.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2103.613769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.613769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.613769 (E_RNA)
where:
Base-Base interactions energy: -1444.162
where: short stacking energy: -608.994
Base-Backbone interact. energy: -0.077
local terms energy: -659.374697
where:
bonds (distance) C4'-P energy: -123.482
bonds (distance) P-C4' energy: -134.959
flat angles C4'-P-C4' energy: -152.480
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -162.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1881.027888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.027888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.027888 (E_RNA)
where:
Base-Base interactions energy: -1253.133
where: short stacking energy: -568.770
Base-Backbone interact. energy: -4.827
local terms energy: -623.067169
where:
bonds (distance) C4'-P energy: -116.140
bonds (distance) P-C4' energy: -121.505
flat angles C4'-P-C4' energy: -137.665
flat angles P-C4'-P energy: -95.155
tors. eta vs tors. theta energy: -152.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1822.091584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.091584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.091584 (E_RNA)
where:
Base-Base interactions energy: -1247.541
where: short stacking energy: -539.147
Base-Backbone interact. energy: -2.608
local terms energy: -571.942375
where:
bonds (distance) C4'-P energy: -110.942
bonds (distance) P-C4' energy: -114.694
flat angles C4'-P-C4' energy: -117.438
flat angles P-C4'-P energy: -89.294
tors. eta vs tors. theta energy: -139.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1641.774210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.774210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.774210 (E_RNA)
where:
Base-Base interactions energy: -1066.336
where: short stacking energy: -474.858
Base-Backbone interact. energy: -1.382
local terms energy: -574.056394
where:
bonds (distance) C4'-P energy: -123.581
bonds (distance) P-C4' energy: -116.626
flat angles C4'-P-C4' energy: -121.524
flat angles P-C4'-P energy: -85.035
tors. eta vs tors. theta energy: -127.290
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: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1293.299497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.299497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.299497 (E_RNA)
where:
Base-Base interactions energy: -798.030
where: short stacking energy: -362.802
Base-Backbone interact. energy: -2.455
local terms energy: -492.813851
where:
bonds (distance) C4'-P energy: -102.317
bonds (distance) P-C4' energy: -123.619
flat angles C4'-P-C4' energy: -136.974
flat angles P-C4'-P energy: -62.966
tors. eta vs tors. theta energy: -66.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1092.459562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.459562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.459562 (E_RNA)
where:
Base-Base interactions energy: -660.574
where: short stacking energy: -302.785
Base-Backbone interact. energy: 1.369
local terms energy: -433.255071
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -121.446
flat angles C4'-P-C4' energy: -106.181
flat angles P-C4'-P energy: -64.263
tors. eta vs tors. theta energy: -34.286
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: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -779.730290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.730290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.730290 (E_RNA)
where:
Base-Base interactions energy: -390.933
where: short stacking energy: -212.468
Base-Backbone interact. energy: 4.451
local terms energy: -393.248475
where:
bonds (distance) C4'-P energy: -99.433
bonds (distance) P-C4' energy: -127.226
flat angles C4'-P-C4' energy: -85.666
flat angles P-C4'-P energy: -69.206
tors. eta vs tors. theta energy: -11.718
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: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -638.720573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.720573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.720573 (E_RNA)
where:
Base-Base interactions energy: -300.980
where: short stacking energy: -191.593
Base-Backbone interact. energy: 6.723
local terms energy: -344.463725
where:
bonds (distance) C4'-P energy: -98.880
bonds (distance) P-C4' energy: -105.338
flat angles C4'-P-C4' energy: -80.101
flat angles P-C4'-P energy: -56.360
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2274.815493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.815493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.815493 (E_RNA)
where:
Base-Base interactions energy: -1555.178
where: short stacking energy: -663.358
Base-Backbone interact. energy: -2.417
local terms energy: -717.220463
where:
bonds (distance) C4'-P energy: -133.406
bonds (distance) P-C4' energy: -127.865
flat angles C4'-P-C4' energy: -156.260
flat angles P-C4'-P energy: -100.113
tors. eta vs tors. theta energy: -199.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2201.442421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.442421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.442421 (E_RNA)
where:
Base-Base interactions energy: -1514.010
where: short stacking energy: -635.237
Base-Backbone interact. energy: -5.495
local terms energy: -681.937559
where:
bonds (distance) C4'-P energy: -126.889
bonds (distance) P-C4' energy: -122.168
flat angles C4'-P-C4' energy: -142.458
flat angles P-C4'-P energy: -111.839
tors. eta vs tors. theta energy: -178.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2095.179050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.179050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.179050 (E_RNA)
where:
Base-Base interactions energy: -1467.090
where: short stacking energy: -625.911
Base-Backbone interact. energy: -3.446
local terms energy: -624.642644
where:
bonds (distance) C4'-P energy: -124.931
bonds (distance) P-C4' energy: -112.658
flat angles C4'-P-C4' energy: -129.631
flat angles P-C4'-P energy: -82.477
tors. eta vs tors. theta energy: -174.946
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: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1885.519783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.519783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.519783 (E_RNA)
where:
Base-Base interactions energy: -1237.707
where: short stacking energy: -556.878
Base-Backbone interact. energy: -4.331
local terms energy: -643.482436
where:
bonds (distance) C4'-P energy: -126.587
bonds (distance) P-C4' energy: -134.565
flat angles C4'-P-C4' energy: -136.207
flat angles P-C4'-P energy: -80.868
tors. eta vs tors. theta energy: -165.255
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: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1840.539602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.539602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.539602 (E_RNA)
where:
Base-Base interactions energy: -1232.173
where: short stacking energy: -538.260
Base-Backbone interact. energy: -1.971
local terms energy: -606.395883
where:
bonds (distance) C4'-P energy: -113.601
bonds (distance) P-C4' energy: -123.772
flat angles C4'-P-C4' energy: -125.005
flat angles P-C4'-P energy: -104.229
tors. eta vs tors. theta energy: -139.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1609.809988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.809988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.809988 (E_RNA)
where:
Base-Base interactions energy: -1071.121
where: short stacking energy: -471.348
Base-Backbone interact. energy: -3.056
local terms energy: -535.633176
where:
bonds (distance) C4'-P energy: -117.850
bonds (distance) P-C4' energy: -114.892
flat angles C4'-P-C4' energy: -120.054
flat angles P-C4'-P energy: -69.632
tors. eta vs tors. theta energy: -113.205
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: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1326.235832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.235832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.235832 (E_RNA)
where:
Base-Base interactions energy: -855.939
where: short stacking energy: -409.911
Base-Backbone interact. energy: 4.434
local terms energy: -474.730178
where:
bonds (distance) C4'-P energy: -93.000
bonds (distance) P-C4' energy: -123.663
flat angles C4'-P-C4' energy: -118.349
flat angles P-C4'-P energy: -59.047
tors. eta vs tors. theta energy: -80.671
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: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1166.838175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.838175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.838175 (E_RNA)
where:
Base-Base interactions energy: -713.398
where: short stacking energy: -346.864
Base-Backbone interact. energy: -3.343
local terms energy: -450.097291
where:
bonds (distance) C4'-P energy: -99.413
bonds (distance) P-C4' energy: -104.568
flat angles C4'-P-C4' energy: -112.709
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -57.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -797.237491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.237491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.237491 (E_RNA)
where:
Base-Base interactions energy: -400.342
where: short stacking energy: -225.074
Base-Backbone interact. energy: -0.686
local terms energy: -396.209666
where:
bonds (distance) C4'-P energy: -115.178
bonds (distance) P-C4' energy: -125.066
flat angles C4'-P-C4' energy: -87.089
flat angles P-C4'-P energy: -65.007
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -681.292222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.292222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.292222 (E_RNA)
where:
Base-Base interactions energy: -309.717
where: short stacking energy: -198.072
Base-Backbone interact. energy: 1.055
local terms energy: -372.630415
where:
bonds (distance) C4'-P energy: -110.527
bonds (distance) P-C4' energy: -110.864
flat angles C4'-P-C4' energy: -82.928
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: 2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2255.075389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.075389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.075389 (E_RNA)
where:
Base-Base interactions energy: -1552.021
where: short stacking energy: -655.823
Base-Backbone interact. energy: -1.974
local terms energy: -701.080740
where:
bonds (distance) C4'-P energy: -135.753
bonds (distance) P-C4' energy: -123.620
flat angles C4'-P-C4' energy: -137.321
flat angles P-C4'-P energy: -109.836
tors. eta vs tors. theta energy: -194.550
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2218.938666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.938666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.938666 (E_RNA)
where:
Base-Base interactions energy: -1539.643
where: short stacking energy: -657.885
Base-Backbone interact. energy: -2.981
local terms energy: -676.315005
where:
bonds (distance) C4'-P energy: -118.519
bonds (distance) P-C4' energy: -127.383
flat angles C4'-P-C4' energy: -146.324
flat angles P-C4'-P energy: -105.467
tors. eta vs tors. theta energy: -178.621
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: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2101.246287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.246287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.246287 (E_RNA)
where:
Base-Base interactions energy: -1468.102
where: short stacking energy: -623.073
Base-Backbone interact. energy: -2.049
local terms energy: -631.095304
where:
bonds (distance) C4'-P energy: -118.760
bonds (distance) P-C4' energy: -126.282
flat angles C4'-P-C4' energy: -134.486
flat angles P-C4'-P energy: -91.097
tors. eta vs tors. theta energy: -160.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1906.561217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.561217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.561217 (E_RNA)
where:
Base-Base interactions energy: -1288.557
where: short stacking energy: -558.181
Base-Backbone interact. energy: -2.648
local terms energy: -615.356521
where:
bonds (distance) C4'-P energy: -124.198
bonds (distance) P-C4' energy: -122.536
flat angles C4'-P-C4' energy: -135.515
flat angles P-C4'-P energy: -81.754
tors. eta vs tors. theta energy: -151.354
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: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1874.622389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.622389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.622389 (E_RNA)
where:
Base-Base interactions energy: -1251.818
where: short stacking energy: -544.273
Base-Backbone interact. energy: -3.852
local terms energy: -618.951583
where:
bonds (distance) C4'-P energy: -119.954
bonds (distance) P-C4' energy: -117.809
flat angles C4'-P-C4' energy: -144.526
flat angles P-C4'-P energy: -85.011
tors. eta vs tors. theta energy: -151.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1672.998754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.998754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.998754 (E_RNA)
where:
Base-Base interactions energy: -1105.408
where: short stacking energy: -491.280
Base-Backbone interact. energy: -0.357
local terms energy: -567.233545
where:
bonds (distance) C4'-P energy: -102.467
bonds (distance) P-C4' energy: -121.151
flat angles C4'-P-C4' energy: -133.447
flat angles P-C4'-P energy: -91.535
tors. eta vs tors. theta energy: -118.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1314.926022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.926022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.926022 (E_RNA)
where:
Base-Base interactions energy: -796.036
where: short stacking energy: -371.083
Base-Backbone interact. energy: 3.203
local terms energy: -522.093061
where:
bonds (distance) C4'-P energy: -121.080
bonds (distance) P-C4' energy: -121.431
flat angles C4'-P-C4' energy: -127.833
flat angles P-C4'-P energy: -64.399
tors. eta vs tors. theta energy: -87.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1185.054280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.054280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.054280 (E_RNA)
where:
Base-Base interactions energy: -765.620
where: short stacking energy: -352.452
Base-Backbone interact. energy: 0.045
local terms energy: -419.478811
where:
bonds (distance) C4'-P energy: -93.994
bonds (distance) P-C4' energy: -111.936
flat angles C4'-P-C4' energy: -111.770
flat angles P-C4'-P energy: -41.313
tors. eta vs tors. theta energy: -60.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -797.895749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.895749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.895749 (E_RNA)
where:
Base-Base interactions energy: -417.782
where: short stacking energy: -234.607
Base-Backbone interact. energy: -1.022
local terms energy: -379.091169
where:
bonds (distance) C4'-P energy: -113.121
bonds (distance) P-C4' energy: -89.852
flat angles C4'-P-C4' energy: -92.426
flat angles P-C4'-P energy: -68.184
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -670.759855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.759855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.759855 (E_RNA)
where:
Base-Base interactions energy: -316.119
where: short stacking energy: -179.542
Base-Backbone interact. energy: 1.421
local terms energy: -356.061614
where:
bonds (distance) C4'-P energy: -101.320
bonds (distance) P-C4' energy: -121.134
flat angles C4'-P-C4' energy: -88.972
flat angles P-C4'-P energy: -41.917
tors. eta vs tors. theta energy: -2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2246.069771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.069771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.069771 (E_RNA)
where:
Base-Base interactions energy: -1572.610
where: short stacking energy: -653.227
Base-Backbone interact. energy: -2.994
local terms energy: -670.465706
where:
bonds (distance) C4'-P energy: -121.633
bonds (distance) P-C4' energy: -118.780
flat angles C4'-P-C4' energy: -138.067
flat angles P-C4'-P energy: -97.605
tors. eta vs tors. theta energy: -194.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2196.337349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.337349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.337349 (E_RNA)
where:
Base-Base interactions energy: -1501.697
where: short stacking energy: -613.979
Base-Backbone interact. energy: -2.833
local terms energy: -691.806806
where:
bonds (distance) C4'-P energy: -135.194
bonds (distance) P-C4' energy: -142.663
flat angles C4'-P-C4' energy: -142.777
flat angles P-C4'-P energy: -98.766
tors. eta vs tors. theta energy: -172.407
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: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2102.811783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.811783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.811783 (E_RNA)
where:
Base-Base interactions energy: -1434.337
where: short stacking energy: -587.954
Base-Backbone interact. energy: 1.094
local terms energy: -669.568267
where:
bonds (distance) C4'-P energy: -134.413
bonds (distance) P-C4' energy: -124.834
flat angles C4'-P-C4' energy: -152.709
flat angles P-C4'-P energy: -94.450
tors. eta vs tors. theta energy: -163.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1935.216914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.216914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.216914 (E_RNA)
where:
Base-Base interactions energy: -1307.234
where: short stacking energy: -553.720
Base-Backbone interact. energy: -1.920
local terms energy: -626.063581
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -131.842
flat angles C4'-P-C4' energy: -143.408
flat angles P-C4'-P energy: -84.059
tors. eta vs tors. theta energy: -154.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1822.617711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.617711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.617711 (E_RNA)
where:
Base-Base interactions energy: -1268.576
where: short stacking energy: -550.668
Base-Backbone interact. energy: -2.200
local terms energy: -551.841737
where:
bonds (distance) C4'-P energy: -110.869
bonds (distance) P-C4' energy: -99.091
flat angles C4'-P-C4' energy: -121.552
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -139.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1610.712283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.712283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.712283 (E_RNA)
where:
Base-Base interactions energy: -1067.417
where: short stacking energy: -464.773
Base-Backbone interact. energy: -1.020
local terms energy: -542.276051
where:
bonds (distance) C4'-P energy: -113.047
bonds (distance) P-C4' energy: -113.107
flat angles C4'-P-C4' energy: -127.167
flat angles P-C4'-P energy: -91.664
tors. eta vs tors. theta energy: -97.291
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: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1273.326776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.326776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.326776 (E_RNA)
where:
Base-Base interactions energy: -799.710
where: short stacking energy: -371.806
Base-Backbone interact. energy: 0.585
local terms energy: -474.201931
where:
bonds (distance) C4'-P energy: -118.874
bonds (distance) P-C4' energy: -110.096
flat angles C4'-P-C4' energy: -110.083
flat angles P-C4'-P energy: -68.251
tors. eta vs tors. theta energy: -66.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1232.915450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.915450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.915450 (E_RNA)
where:
Base-Base interactions energy: -768.991
where: short stacking energy: -360.908
Base-Backbone interact. energy: -3.533
local terms energy: -460.391847
where:
bonds (distance) C4'-P energy: -110.721
bonds (distance) P-C4' energy: -106.181
flat angles C4'-P-C4' energy: -100.294
flat angles P-C4'-P energy: -68.428
tors. eta vs tors. theta energy: -74.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -838.119622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.119622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.119622 (E_RNA)
where:
Base-Base interactions energy: -451.277
where: short stacking energy: -238.309
Base-Backbone interact. energy: 1.408
local terms energy: -388.251039
where:
bonds (distance) C4'-P energy: -89.691
bonds (distance) P-C4' energy: -119.534
flat angles C4'-P-C4' energy: -106.244
flat angles P-C4'-P energy: -56.722
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: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -749.292917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.292917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.292917 (E_RNA)
where:
Base-Base interactions energy: -373.036
where: short stacking energy: -230.499
Base-Backbone interact. energy: 1.922
local terms energy: -378.179266
where:
bonds (distance) C4'-P energy: -107.980
bonds (distance) P-C4' energy: -114.516
flat angles C4'-P-C4' energy: -107.101
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2268.694850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.694850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.694850 (E_RNA)
where:
Base-Base interactions energy: -1567.314
where: short stacking energy: -656.879
Base-Backbone interact. energy: -4.722
local terms energy: -696.658324
where:
bonds (distance) C4'-P energy: -137.916
bonds (distance) P-C4' energy: -118.625
flat angles C4'-P-C4' energy: -146.009
flat angles P-C4'-P energy: -92.542
tors. eta vs tors. theta energy: -201.567
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: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2188.849491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.849491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.849491 (E_RNA)
where:
Base-Base interactions energy: -1530.117
where: short stacking energy: -646.428
Base-Backbone interact. energy: -4.082
local terms energy: -654.650038
where:
bonds (distance) C4'-P energy: -121.325
bonds (distance) P-C4' energy: -127.897
flat angles C4'-P-C4' energy: -137.149
flat angles P-C4'-P energy: -88.912
tors. eta vs tors. theta energy: -179.366
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: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2126.489110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.489110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.489110 (E_RNA)
where:
Base-Base interactions energy: -1468.085
where: short stacking energy: -577.365
Base-Backbone interact. energy: -4.252
local terms energy: -654.152228
where:
bonds (distance) C4'-P energy: -125.090
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -144.934
flat angles P-C4'-P energy: -95.010
tors. eta vs tors. theta energy: -158.496
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: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1909.110996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.110996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.110996 (E_RNA)
where:
Base-Base interactions energy: -1317.130
where: short stacking energy: -564.776
Base-Backbone interact. energy: -3.407
local terms energy: -588.573847
where:
bonds (distance) C4'-P energy: -113.489
bonds (distance) P-C4' energy: -118.242
flat angles C4'-P-C4' energy: -135.313
flat angles P-C4'-P energy: -78.362
tors. eta vs tors. theta energy: -143.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1787.198659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.198659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.198659 (E_RNA)
where:
Base-Base interactions energy: -1216.489
where: short stacking energy: -544.421
Base-Backbone interact. energy: 0.552
local terms energy: -571.261345
where:
bonds (distance) C4'-P energy: -111.280
bonds (distance) P-C4' energy: -117.315
flat angles C4'-P-C4' energy: -131.050
flat angles P-C4'-P energy: -84.213
tors. eta vs tors. theta energy: -127.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1609.189794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.189794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.189794 (E_RNA)
where:
Base-Base interactions energy: -1060.718
where: short stacking energy: -497.877
Base-Backbone interact. energy: -1.147
local terms energy: -547.324661
where:
bonds (distance) C4'-P energy: -109.181
bonds (distance) P-C4' energy: -131.060
flat angles C4'-P-C4' energy: -125.815
flat angles P-C4'-P energy: -69.438
tors. eta vs tors. theta energy: -111.830
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: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1300.030820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.030820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.030820 (E_RNA)
where:
Base-Base interactions energy: -795.183
where: short stacking energy: -367.675
Base-Backbone interact. energy: 1.003
local terms energy: -505.850769
where:
bonds (distance) C4'-P energy: -108.419
bonds (distance) P-C4' energy: -132.400
flat angles C4'-P-C4' energy: -125.617
flat angles P-C4'-P energy: -71.599
tors. eta vs tors. theta energy: -67.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1225.964050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.964050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.964050 (E_RNA)
where:
Base-Base interactions energy: -759.504
where: short stacking energy: -361.130
Base-Backbone interact. energy: -1.208
local terms energy: -465.251579
where:
bonds (distance) C4'-P energy: -107.393
bonds (distance) P-C4' energy: -121.292
flat angles C4'-P-C4' energy: -109.596
flat angles P-C4'-P energy: -61.212
tors. eta vs tors. theta energy: -65.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -880.728288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.728288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.728288 (E_RNA)
where:
Base-Base interactions energy: -499.127
where: short stacking energy: -283.293
Base-Backbone interact. energy: -0.483
local terms energy: -381.118524
where:
bonds (distance) C4'-P energy: -94.974
bonds (distance) P-C4' energy: -111.361
flat angles C4'-P-C4' energy: -113.986
flat angles P-C4'-P energy: -48.832
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -674.688956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.688956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.688956 (E_RNA)
where:
Base-Base interactions energy: -343.043
where: short stacking energy: -197.684
Base-Backbone interact. energy: 2.398
local terms energy: -334.044848
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -91.447
flat angles C4'-P-C4' energy: -97.857
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: 5.085
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: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2254.199619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.199619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.199619 (E_RNA)
where:
Base-Base interactions energy: -1557.919
where: short stacking energy: -660.898
Base-Backbone interact. energy: -4.341
local terms energy: -691.939533
where:
bonds (distance) C4'-P energy: -131.297
bonds (distance) P-C4' energy: -127.101
flat angles C4'-P-C4' energy: -147.733
flat angles P-C4'-P energy: -101.457
tors. eta vs tors. theta energy: -184.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2215.909379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.909379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.909379 (E_RNA)
where:
Base-Base interactions energy: -1533.791
where: short stacking energy: -628.210
Base-Backbone interact. energy: -1.380
local terms energy: -680.737916
where:
bonds (distance) C4'-P energy: -136.547
bonds (distance) P-C4' energy: -132.825
flat angles C4'-P-C4' energy: -140.398
flat angles P-C4'-P energy: -87.281
tors. eta vs tors. theta energy: -183.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2082.336195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.336195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.336195 (E_RNA)
where:
Base-Base interactions energy: -1433.902
where: short stacking energy: -593.665
Base-Backbone interact. energy: -4.372
local terms energy: -644.061472
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -127.965
flat angles C4'-P-C4' energy: -142.872
flat angles P-C4'-P energy: -98.744
tors. eta vs tors. theta energy: -153.809
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: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1878.131975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.131975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.131975 (E_RNA)
where:
Base-Base interactions energy: -1284.733
where: short stacking energy: -530.166
Base-Backbone interact. energy: 4.795
local terms energy: -598.193838
where:
bonds (distance) C4'-P energy: -124.255
bonds (distance) P-C4' energy: -119.094
flat angles C4'-P-C4' energy: -126.930
flat angles P-C4'-P energy: -84.623
tors. eta vs tors. theta energy: -143.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1787.118656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.118656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.118656 (E_RNA)
where:
Base-Base interactions energy: -1186.981
where: short stacking energy: -520.438
Base-Backbone interact. energy: -5.788
local terms energy: -594.349145
where:
bonds (distance) C4'-P energy: -119.960
bonds (distance) P-C4' energy: -137.393
flat angles C4'-P-C4' energy: -129.721
flat angles P-C4'-P energy: -81.159
tors. eta vs tors. theta energy: -126.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1621.571269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.571269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.571269 (E_RNA)
where:
Base-Base interactions energy: -1087.543
where: short stacking energy: -504.301
Base-Backbone interact. energy: 0.236
local terms energy: -534.263814
where:
bonds (distance) C4'-P energy: -118.548
bonds (distance) P-C4' energy: -110.642
flat angles C4'-P-C4' energy: -115.564
flat angles P-C4'-P energy: -76.974
tors. eta vs tors. theta energy: -112.536
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: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1332.621678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.621678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.621678 (E_RNA)
where:
Base-Base interactions energy: -845.712
where: short stacking energy: -372.167
Base-Backbone interact. energy: -1.400
local terms energy: -485.509771
where:
bonds (distance) C4'-P energy: -120.267
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -120.769
flat angles P-C4'-P energy: -64.027
tors. eta vs tors. theta energy: -76.987
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: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1175.638548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.638548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.638548 (E_RNA)
where:
Base-Base interactions energy: -713.631
where: short stacking energy: -341.045
Base-Backbone interact. energy: 0.044
local terms energy: -462.051608
where:
bonds (distance) C4'-P energy: -103.333
bonds (distance) P-C4' energy: -131.545
flat angles C4'-P-C4' energy: -112.300
flat angles P-C4'-P energy: -58.908
tors. eta vs tors. theta energy: -55.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -913.527235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.527235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.527235 (E_RNA)
where:
Base-Base interactions energy: -486.577
where: short stacking energy: -251.280
Base-Backbone interact. energy: 3.512
local terms energy: -430.461625
where:
bonds (distance) C4'-P energy: -92.385
bonds (distance) P-C4' energy: -124.579
flat angles C4'-P-C4' energy: -119.004
flat angles P-C4'-P energy: -75.976
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -624.027924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.027924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.027924 (E_RNA)
where:
Base-Base interactions energy: -259.504
where: short stacking energy: -177.330
Base-Backbone interact. energy: -1.217
local terms energy: -363.306874
where:
bonds (distance) C4'-P energy: -105.058
bonds (distance) P-C4' energy: -106.659
flat angles C4'-P-C4' energy: -94.468
flat angles P-C4'-P energy: -68.873
tors. eta vs tors. theta energy: 11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2293.788015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.788015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.788015 (E_RNA)
where:
Base-Base interactions energy: -1593.220
where: short stacking energy: -650.652
Base-Backbone interact. energy: -3.256
local terms energy: -697.311575
where:
bonds (distance) C4'-P energy: -116.932
bonds (distance) P-C4' energy: -125.097
flat angles C4'-P-C4' energy: -160.154
flat angles P-C4'-P energy: -99.034
tors. eta vs tors. theta energy: -196.095
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: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2241.416642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.416642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.416642 (E_RNA)
where:
Base-Base interactions energy: -1554.745
where: short stacking energy: -615.911
Base-Backbone interact. energy: -3.990
local terms energy: -682.681140
where:
bonds (distance) C4'-P energy: -134.453
bonds (distance) P-C4' energy: -135.980
flat angles C4'-P-C4' energy: -140.942
flat angles P-C4'-P energy: -86.508
tors. eta vs tors. theta energy: -184.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2109.340802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.340802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.340802 (E_RNA)
where:
Base-Base interactions energy: -1474.918
where: short stacking energy: -605.403
Base-Backbone interact. energy: -2.769
local terms energy: -631.653577
where:
bonds (distance) C4'-P energy: -109.426
bonds (distance) P-C4' energy: -128.426
flat angles C4'-P-C4' energy: -137.617
flat angles P-C4'-P energy: -89.789
tors. eta vs tors. theta energy: -166.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1907.426335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.426335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.426335 (E_RNA)
where:
Base-Base interactions energy: -1306.074
where: short stacking energy: -568.258
Base-Backbone interact. energy: -3.990
local terms energy: -597.362809
where:
bonds (distance) C4'-P energy: -114.711
bonds (distance) P-C4' energy: -130.226
flat angles C4'-P-C4' energy: -125.515
flat angles P-C4'-P energy: -79.006
tors. eta vs tors. theta energy: -147.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1827.157027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.157027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.157027 (E_RNA)
where:
Base-Base interactions energy: -1260.102
where: short stacking energy: -529.892
Base-Backbone interact. energy: 4.645
local terms energy: -571.700218
where:
bonds (distance) C4'-P energy: -121.997
bonds (distance) P-C4' energy: -130.353
flat angles C4'-P-C4' energy: -122.254
flat angles P-C4'-P energy: -64.929
tors. eta vs tors. theta energy: -132.167
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: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1634.095985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.095985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.095985 (E_RNA)
where:
Base-Base interactions energy: -1071.224
where: short stacking energy: -477.106
Base-Backbone interact. energy: 0.604
local terms energy: -563.475431
where:
bonds (distance) C4'-P energy: -106.109
bonds (distance) P-C4' energy: -113.799
flat angles C4'-P-C4' energy: -137.068
flat angles P-C4'-P energy: -80.690
tors. eta vs tors. theta energy: -125.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1375.152011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.152011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.152011 (E_RNA)
where:
Base-Base interactions energy: -863.024
where: short stacking energy: -406.544
Base-Backbone interact. energy: 2.115
local terms energy: -514.242411
where:
bonds (distance) C4'-P energy: -121.798
bonds (distance) P-C4' energy: -110.673
flat angles C4'-P-C4' energy: -120.583
flat angles P-C4'-P energy: -72.588
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: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1223.520609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.520609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.520609 (E_RNA)
where:
Base-Base interactions energy: -772.290
where: short stacking energy: -367.276
Base-Backbone interact. energy: -0.033
local terms energy: -451.197858
where:
bonds (distance) C4'-P energy: -118.302
bonds (distance) P-C4' energy: -129.311
flat angles C4'-P-C4' energy: -79.503
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -64.976
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -814.586588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.586588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.586588 (E_RNA)
where:
Base-Base interactions energy: -433.766
where: short stacking energy: -247.097
Base-Backbone interact. energy: 4.724
local terms energy: -385.544764
where:
bonds (distance) C4'-P energy: -107.692
bonds (distance) P-C4' energy: -113.421
flat angles C4'-P-C4' energy: -95.041
flat angles P-C4'-P energy: -52.946
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -606.761445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.761445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.761445 (E_RNA)
where:
Base-Base interactions energy: -264.743
where: short stacking energy: -176.088
Base-Backbone interact. energy: -0.453
local terms energy: -341.566114
where:
bonds (distance) C4'-P energy: -98.172
bonds (distance) P-C4' energy: -112.668
flat angles C4'-P-C4' energy: -78.310
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: 6.219
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: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2286.788757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.788757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.788757 (E_RNA)
where:
Base-Base interactions energy: -1564.660
where: short stacking energy: -668.812
Base-Backbone interact. energy: -3.313
local terms energy: -718.815492
where:
bonds (distance) C4'-P energy: -140.134
bonds (distance) P-C4' energy: -139.271
flat angles C4'-P-C4' energy: -149.635
flat angles P-C4'-P energy: -99.497
tors. eta vs tors. theta energy: -190.279
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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2209.034160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.034160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.034160 (E_RNA)
where:
Base-Base interactions energy: -1522.442
where: short stacking energy: -608.504
Base-Backbone interact. energy: -5.894
local terms energy: -680.698242
where:
bonds (distance) C4'-P energy: -127.812
bonds (distance) P-C4' energy: -140.104
flat angles C4'-P-C4' energy: -150.616
flat angles P-C4'-P energy: -90.300
tors. eta vs tors. theta energy: -171.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2095.546020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.546020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.546020 (E_RNA)
where:
Base-Base interactions energy: -1442.044
where: short stacking energy: -597.311
Base-Backbone interact. energy: -6.611
local terms energy: -646.890233
where:
bonds (distance) C4'-P energy: -126.175
bonds (distance) P-C4' energy: -124.415
flat angles C4'-P-C4' energy: -136.813
flat angles P-C4'-P energy: -94.859
tors. eta vs tors. theta energy: -164.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1917.423594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.423594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.423594 (E_RNA)
where:
Base-Base interactions energy: -1279.659
where: short stacking energy: -539.309
Base-Backbone interact. energy: -3.662
local terms energy: -634.101955
where:
bonds (distance) C4'-P energy: -135.932
bonds (distance) P-C4' energy: -134.110
flat angles C4'-P-C4' energy: -142.882
flat angles P-C4'-P energy: -81.379
tors. eta vs tors. theta energy: -139.798
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: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1836.880781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.880781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.880781 (E_RNA)
where:
Base-Base interactions energy: -1262.547
where: short stacking energy: -497.313
Base-Backbone interact. energy: -4.749
local terms energy: -569.584390
where:
bonds (distance) C4'-P energy: -107.840
bonds (distance) P-C4' energy: -122.691
flat angles C4'-P-C4' energy: -124.615
flat angles P-C4'-P energy: -87.641
tors. eta vs tors. theta energy: -126.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1648.214447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.214447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.214447 (E_RNA)
where:
Base-Base interactions energy: -1092.166
where: short stacking energy: -487.686
Base-Backbone interact. energy: -2.085
local terms energy: -553.963623
where:
bonds (distance) C4'-P energy: -124.444
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -126.634
flat angles P-C4'-P energy: -69.882
tors. eta vs tors. theta energy: -121.644
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: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1401.951606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.951606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.951606 (E_RNA)
where:
Base-Base interactions energy: -909.420
where: short stacking energy: -406.217
Base-Backbone interact. energy: 5.002
local terms energy: -497.533567
where:
bonds (distance) C4'-P energy: -91.232
bonds (distance) P-C4' energy: -122.028
flat angles C4'-P-C4' energy: -117.845
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -88.961
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: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1181.907391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.907391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.907391 (E_RNA)
where:
Base-Base interactions energy: -759.213
where: short stacking energy: -355.563
Base-Backbone interact. energy: -1.087
local terms energy: -421.607234
where:
bonds (distance) C4'-P energy: -106.018
bonds (distance) P-C4' energy: -99.088
flat angles C4'-P-C4' energy: -105.184
flat angles P-C4'-P energy: -62.531
tors. eta vs tors. theta energy: -48.787
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: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -851.750989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.750989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.750989 (E_RNA)
where:
Base-Base interactions energy: -455.349
where: short stacking energy: -252.586
Base-Backbone interact. energy: -1.684
local terms energy: -394.717657
where:
bonds (distance) C4'-P energy: -91.405
bonds (distance) P-C4' energy: -115.779
flat angles C4'-P-C4' energy: -110.539
flat angles P-C4'-P energy: -58.653
tors. eta vs tors. theta energy: -18.342
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: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -717.335144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.335144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.335144 (E_RNA)
where:
Base-Base interactions energy: -371.137
where: short stacking energy: -202.055
Base-Backbone interact. energy: -1.215
local terms energy: -344.982861
where:
bonds (distance) C4'-P energy: -106.664
bonds (distance) P-C4' energy: -119.991
flat angles C4'-P-C4' energy: -71.645
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: 5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2264.962275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.962275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.962275 (E_RNA)
where:
Base-Base interactions energy: -1566.934
where: short stacking energy: -671.615
Base-Backbone interact. energy: -4.839
local terms energy: -693.189062
where:
bonds (distance) C4'-P energy: -122.905
bonds (distance) P-C4' energy: -128.535
flat angles C4'-P-C4' energy: -147.294
flat angles P-C4'-P energy: -100.017
tors. eta vs tors. theta energy: -194.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2198.327471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.327471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.327471 (E_RNA)
where:
Base-Base interactions energy: -1526.111
where: short stacking energy: -616.574
Base-Backbone interact. energy: -1.837
local terms energy: -670.378625
where:
bonds (distance) C4'-P energy: -132.148
bonds (distance) P-C4' energy: -131.188
flat angles C4'-P-C4' energy: -139.368
flat angles P-C4'-P energy: -90.052
tors. eta vs tors. theta energy: -177.621
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: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2151.046789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.046789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.046789 (E_RNA)
where:
Base-Base interactions energy: -1493.638
where: short stacking energy: -610.076
Base-Backbone interact. energy: -5.297
local terms energy: -652.111425
where:
bonds (distance) C4'-P energy: -124.699
bonds (distance) P-C4' energy: -129.171
flat angles C4'-P-C4' energy: -147.512
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -169.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1907.324225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.324225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.324225 (E_RNA)
where:
Base-Base interactions energy: -1282.360
where: short stacking energy: -541.919
Base-Backbone interact. energy: -0.778
local terms energy: -624.186562
where:
bonds (distance) C4'-P energy: -122.056
bonds (distance) P-C4' energy: -135.045
flat angles C4'-P-C4' energy: -135.771
flat angles P-C4'-P energy: -95.177
tors. eta vs tors. theta energy: -136.139
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: 149
Temperature: 1.100000
Total energy: -1853.264842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.264842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.264842 (E_RNA)
where:
Base-Base interactions energy: -1248.501
where: short stacking energy: -527.300
Base-Backbone interact. energy: -0.210
local terms energy: -604.554099
where:
bonds (distance) C4'-P energy: -107.546
bonds (distance) P-C4' energy: -121.334
flat angles C4'-P-C4' energy: -139.360
flat angles P-C4'-P energy: -85.461
tors. eta vs tors. theta energy: -150.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1602.503512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.503512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.503512 (E_RNA)
where:
Base-Base interactions energy: -1060.455
where: short stacking energy: -467.172
Base-Backbone interact. energy: -2.587
local terms energy: -539.461582
where:
bonds (distance) C4'-P energy: -119.676
bonds (distance) P-C4' energy: -97.375
flat angles C4'-P-C4' energy: -120.763
flat angles P-C4'-P energy: -91.900
tors. eta vs tors. theta energy: -109.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1349.696352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.696352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.696352 (E_RNA)
where:
Base-Base interactions energy: -883.717
where: short stacking energy: -410.708
Base-Backbone interact. energy: -1.492
local terms energy: -464.486800
where:
bonds (distance) C4'-P energy: -111.099
bonds (distance) P-C4' energy: -89.852
flat angles C4'-P-C4' energy: -111.813
flat angles P-C4'-P energy: -66.545
tors. eta vs tors. theta energy: -85.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1207.053784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.053784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.053784 (E_RNA)
where:
Base-Base interactions energy: -748.586
where: short stacking energy: -349.213
Base-Backbone interact. energy: 0.144
local terms energy: -458.611936
where:
bonds (distance) C4'-P energy: -112.362
bonds (distance) P-C4' energy: -105.940
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -63.784
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: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -846.791577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.791577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.791577 (E_RNA)
where:
Base-Base interactions energy: -465.163
where: short stacking energy: -231.033
Base-Backbone interact. energy: 5.842
local terms energy: -387.469939
where:
bonds (distance) C4'-P energy: -110.647
bonds (distance) P-C4' energy: -117.423
flat angles C4'-P-C4' energy: -88.764
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -757.042787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.042787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.042787 (E_RNA)
where:
Base-Base interactions energy: -380.938
where: short stacking energy: -196.795
Base-Backbone interact. energy: 0.048
local terms energy: -376.152896
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -128.083
flat angles C4'-P-C4' energy: -97.932
flat angles P-C4'-P energy: -51.217
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2245.234859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.234859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.234859 (E_RNA)
where:
Base-Base interactions energy: -1552.773
where: short stacking energy: -656.852
Base-Backbone interact. energy: -5.043
local terms energy: -687.419532
where:
bonds (distance) C4'-P energy: -121.265
bonds (distance) P-C4' energy: -140.251
flat angles C4'-P-C4' energy: -145.424
flat angles P-C4'-P energy: -105.781
tors. eta vs tors. theta energy: -174.699
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2213.327130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.327130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.327130 (E_RNA)
where:
Base-Base interactions energy: -1551.560
where: short stacking energy: -631.825
Base-Backbone interact. energy: 1.624
local terms energy: -663.391201
where:
bonds (distance) C4'-P energy: -114.495
bonds (distance) P-C4' energy: -133.831
flat angles C4'-P-C4' energy: -146.294
flat angles P-C4'-P energy: -95.262
tors. eta vs tors. theta energy: -173.509
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: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2124.698827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.698827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.698827 (E_RNA)
where:
Base-Base interactions energy: -1498.686
where: short stacking energy: -616.736
Base-Backbone interact. energy: 1.011
local terms energy: -627.023975
where:
bonds (distance) C4'-P energy: -125.527
bonds (distance) P-C4' energy: -121.090
flat angles C4'-P-C4' energy: -131.512
flat angles P-C4'-P energy: -87.536
tors. eta vs tors. theta energy: -161.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1924.435127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.435127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.435127 (E_RNA)
where:
Base-Base interactions energy: -1311.433
where: short stacking energy: -581.317
Base-Backbone interact. energy: -5.920
local terms energy: -607.081853
where:
bonds (distance) C4'-P energy: -122.909
bonds (distance) P-C4' energy: -114.687
flat angles C4'-P-C4' energy: -124.729
flat angles P-C4'-P energy: -94.759
tors. eta vs tors. theta energy: -149.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1879.915018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.915018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.915018 (E_RNA)
where:
Base-Base interactions energy: -1255.527
where: short stacking energy: -543.784
Base-Backbone interact. energy: -1.511
local terms energy: -622.877222
where:
bonds (distance) C4'-P energy: -128.996
bonds (distance) P-C4' energy: -130.506
flat angles C4'-P-C4' energy: -131.754
flat angles P-C4'-P energy: -73.056
tors. eta vs tors. theta energy: -158.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1637.160597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.160597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.160597 (E_RNA)
where:
Base-Base interactions energy: -1059.693
where: short stacking energy: -455.072
Base-Backbone interact. energy: -0.063
local terms energy: -577.404124
where:
bonds (distance) C4'-P energy: -115.851
bonds (distance) P-C4' energy: -125.769
flat angles C4'-P-C4' energy: -126.039
flat angles P-C4'-P energy: -87.972
tors. eta vs tors. theta energy: -121.773
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: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1354.940409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.940409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.940409 (E_RNA)
where:
Base-Base interactions energy: -887.415
where: short stacking energy: -422.439
Base-Backbone interact. energy: 0.110
local terms energy: -467.635250
where:
bonds (distance) C4'-P energy: -108.151
bonds (distance) P-C4' energy: -106.433
flat angles C4'-P-C4' energy: -106.817
flat angles P-C4'-P energy: -62.625
tors. eta vs tors. theta energy: -83.610
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1169.886514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.886514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.886514 (E_RNA)
where:
Base-Base interactions energy: -682.909
where: short stacking energy: -327.407
Base-Backbone interact. energy: -2.790
local terms energy: -484.187388
where:
bonds (distance) C4'-P energy: -107.913
bonds (distance) P-C4' energy: -116.887
flat angles C4'-P-C4' energy: -119.362
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -71.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -896.677352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.677352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.677352 (E_RNA)
where:
Base-Base interactions energy: -532.304
where: short stacking energy: -245.660
Base-Backbone interact. energy: 4.310
local terms energy: -368.683719
where:
bonds (distance) C4'-P energy: -102.012
bonds (distance) P-C4' energy: -106.659
flat angles C4'-P-C4' energy: -88.951
flat angles P-C4'-P energy: -54.558
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -747.744204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.744204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.744204 (E_RNA)
where:
Base-Base interactions energy: -359.926
where: short stacking energy: -178.417
Base-Backbone interact. energy: -2.367
local terms energy: -385.450534
where:
bonds (distance) C4'-P energy: -113.226
bonds (distance) P-C4' energy: -111.593
flat angles C4'-P-C4' energy: -100.285
flat angles P-C4'-P energy: -57.755
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2238.121585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.121585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.121585 (E_RNA)
where:
Base-Base interactions energy: -1546.266
where: short stacking energy: -629.360
Base-Backbone interact. energy: -3.877
local terms energy: -687.978583
where:
bonds (distance) C4'-P energy: -119.653
bonds (distance) P-C4' energy: -128.042
flat angles C4'-P-C4' energy: -154.006
flat angles P-C4'-P energy: -106.104
tors. eta vs tors. theta energy: -180.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2243.826735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.826735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.826735 (E_RNA)
where:
Base-Base interactions energy: -1566.374
where: short stacking energy: -652.079
Base-Backbone interact. energy: -1.654
local terms energy: -675.798456
where:
bonds (distance) C4'-P energy: -127.979
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -140.166
flat angles P-C4'-P energy: -81.321
tors. eta vs tors. theta energy: -188.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2103.014305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.014305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.014305 (E_RNA)
where:
Base-Base interactions energy: -1444.714
where: short stacking energy: -609.577
Base-Backbone interact. energy: -3.047
local terms energy: -655.253353
where:
bonds (distance) C4'-P energy: -129.780
bonds (distance) P-C4' energy: -121.793
flat angles C4'-P-C4' energy: -139.033
flat angles P-C4'-P energy: -89.039
tors. eta vs tors. theta energy: -175.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1952.190861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.190861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.190861 (E_RNA)
where:
Base-Base interactions energy: -1346.427
where: short stacking energy: -591.332
Base-Backbone interact. energy: -3.133
local terms energy: -602.630499
where:
bonds (distance) C4'-P energy: -99.271
bonds (distance) P-C4' energy: -128.000
flat angles C4'-P-C4' energy: -131.362
flat angles P-C4'-P energy: -86.064
tors. eta vs tors. theta energy: -157.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1795.332378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.332378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.332378 (E_RNA)
where:
Base-Base interactions energy: -1236.784
where: short stacking energy: -502.042
Base-Backbone interact. energy: -3.896
local terms energy: -554.652956
where:
bonds (distance) C4'-P energy: -97.945
bonds (distance) P-C4' energy: -126.134
flat angles C4'-P-C4' energy: -125.506
flat angles P-C4'-P energy: -71.864
tors. eta vs tors. theta energy: -133.203
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: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1578.242359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.242359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.242359 (E_RNA)
where:
Base-Base interactions energy: -1041.621
where: short stacking energy: -482.691
Base-Backbone interact. energy: -4.075
local terms energy: -532.546846
where:
bonds (distance) C4'-P energy: -105.986
bonds (distance) P-C4' energy: -109.668
flat angles C4'-P-C4' energy: -134.622
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -103.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1358.311040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.311040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.311040 (E_RNA)
where:
Base-Base interactions energy: -883.729
where: short stacking energy: -397.879
Base-Backbone interact. energy: 0.133
local terms energy: -474.715376
where:
bonds (distance) C4'-P energy: -104.023
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -99.902
flat angles P-C4'-P energy: -87.803
tors. eta vs tors. theta energy: -71.521
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: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1181.187366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.187366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.187366 (E_RNA)
where:
Base-Base interactions energy: -708.872
where: short stacking energy: -350.217
Base-Backbone interact. energy: -1.158
local terms energy: -471.157631
where:
bonds (distance) C4'-P energy: -113.962
bonds (distance) P-C4' energy: -120.488
flat angles C4'-P-C4' energy: -118.583
flat angles P-C4'-P energy: -59.901
tors. eta vs tors. theta energy: -58.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -808.232356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.232356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.232356 (E_RNA)
where:
Base-Base interactions energy: -446.065
where: short stacking energy: -262.854
Base-Backbone interact. energy: 2.371
local terms energy: -364.538888
where:
bonds (distance) C4'-P energy: -109.281
bonds (distance) P-C4' energy: -112.627
flat angles C4'-P-C4' energy: -94.261
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -16.913
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: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -647.390644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.390644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.390644 (E_RNA)
where:
Base-Base interactions energy: -312.286
where: short stacking energy: -207.197
Base-Backbone interact. energy: 0.465
local terms energy: -335.569970
where:
bonds (distance) C4'-P energy: -72.591
bonds (distance) P-C4' energy: -96.681
flat angles C4'-P-C4' energy: -108.647
flat angles P-C4'-P energy: -57.672
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2279.547307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.547307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.547307 (E_RNA)
where:
Base-Base interactions energy: -1567.199
where: short stacking energy: -663.805
Base-Backbone interact. energy: -3.266
local terms energy: -709.082509
where:
bonds (distance) C4'-P energy: -131.377
bonds (distance) P-C4' energy: -134.528
flat angles C4'-P-C4' energy: -160.487
flat angles P-C4'-P energy: -99.643
tors. eta vs tors. theta energy: -183.047
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: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2179.609461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.609461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.609461 (E_RNA)
where:
Base-Base interactions energy: -1507.098
where: short stacking energy: -633.558
Base-Backbone interact. energy: -1.786
local terms energy: -670.725183
where:
bonds (distance) C4'-P energy: -117.658
bonds (distance) P-C4' energy: -143.550
flat angles C4'-P-C4' energy: -137.566
flat angles P-C4'-P energy: -90.058
tors. eta vs tors. theta energy: -181.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2142.347911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.347911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.347911 (E_RNA)
where:
Base-Base interactions energy: -1491.652
where: short stacking energy: -616.703
Base-Backbone interact. energy: -3.352
local terms energy: -647.344342
where:
bonds (distance) C4'-P energy: -116.473
bonds (distance) P-C4' energy: -121.867
flat angles C4'-P-C4' energy: -138.119
flat angles P-C4'-P energy: -97.683
tors. eta vs tors. theta energy: -173.202
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: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1956.867248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.867248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.867248 (E_RNA)
where:
Base-Base interactions energy: -1328.350
where: short stacking energy: -549.374
Base-Backbone interact. energy: 1.412
local terms energy: -629.929033
where:
bonds (distance) C4'-P energy: -129.224
bonds (distance) P-C4' energy: -119.132
flat angles C4'-P-C4' energy: -135.819
flat angles P-C4'-P energy: -94.411
tors. eta vs tors. theta energy: -151.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1797.188337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.188337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.188337 (E_RNA)
where:
Base-Base interactions energy: -1215.769
where: short stacking energy: -521.555
Base-Backbone interact. energy: -3.342
local terms energy: -578.077314
where:
bonds (distance) C4'-P energy: -112.633
bonds (distance) P-C4' energy: -122.342
flat angles C4'-P-C4' energy: -126.270
flat angles P-C4'-P energy: -92.325
tors. eta vs tors. theta energy: -124.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1597.520864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.520864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.520864 (E_RNA)
where:
Base-Base interactions energy: -1062.506
where: short stacking energy: -498.683
Base-Backbone interact. energy: -3.098
local terms energy: -531.917667
where:
bonds (distance) C4'-P energy: -100.284
bonds (distance) P-C4' energy: -107.555
flat angles C4'-P-C4' energy: -125.051
flat angles P-C4'-P energy: -81.525
tors. eta vs tors. theta energy: -117.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1400.164506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.164506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.164506 (E_RNA)
where:
Base-Base interactions energy: -908.473
where: short stacking energy: -399.293
Base-Backbone interact. energy: 4.923
local terms energy: -496.614527
where:
bonds (distance) C4'-P energy: -107.874
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -131.679
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -82.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1187.801428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.801428 (E_RNA)
where:
Base-Base interactions energy: -705.687
where: short stacking energy: -326.755
Base-Backbone interact. energy: -0.564
local terms energy: -481.551315
where:
bonds (distance) C4'-P energy: -122.407
bonds (distance) P-C4' energy: -116.824
flat angles C4'-P-C4' energy: -118.688
flat angles P-C4'-P energy: -72.769
tors. eta vs tors. theta energy: -50.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -812.872121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.872121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.872121 (E_RNA)
where:
Base-Base interactions energy: -417.216
where: short stacking energy: -215.668
Base-Backbone interact. energy: 0.087
local terms energy: -395.743418
where:
bonds (distance) C4'-P energy: -117.499
bonds (distance) P-C4' energy: -105.394
flat angles C4'-P-C4' energy: -95.618
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -639.236509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.236509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.236509 (E_RNA)
where:
Base-Base interactions energy: -301.910
where: short stacking energy: -185.876
Base-Backbone interact. energy: 1.344
local terms energy: -338.670357
where:
bonds (distance) C4'-P energy: -117.382
bonds (distance) P-C4' energy: -107.617
flat angles C4'-P-C4' energy: -86.002
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: 11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2272.279903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.279903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.279903 (E_RNA)
where:
Base-Base interactions energy: -1569.456
where: short stacking energy: -667.040
Base-Backbone interact. energy: -2.139
local terms energy: -700.684553
where:
bonds (distance) C4'-P energy: -135.744
bonds (distance) P-C4' energy: -123.531
flat angles C4'-P-C4' energy: -158.551
flat angles P-C4'-P energy: -100.303
tors. eta vs tors. theta energy: -182.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2187.471132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.471132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.471132 (E_RNA)
where:
Base-Base interactions energy: -1518.824
where: short stacking energy: -630.722
Base-Backbone interact. energy: -4.178
local terms energy: -664.468948
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -126.610
flat angles C4'-P-C4' energy: -140.129
flat angles P-C4'-P energy: -87.524
tors. eta vs tors. theta energy: -185.353
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: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2138.859588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.859588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.859588 (E_RNA)
where:
Base-Base interactions energy: -1473.492
where: short stacking energy: -621.906
Base-Backbone interact. energy: -2.055
local terms energy: -663.312111
where:
bonds (distance) C4'-P energy: -138.026
bonds (distance) P-C4' energy: -113.756
flat angles C4'-P-C4' energy: -125.067
flat angles P-C4'-P energy: -111.845
tors. eta vs tors. theta energy: -174.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1949.651866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.651866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.651866 (E_RNA)
where:
Base-Base interactions energy: -1348.569
where: short stacking energy: -595.662
Base-Backbone interact. energy: 1.264
local terms energy: -602.347295
where:
bonds (distance) C4'-P energy: -104.317
bonds (distance) P-C4' energy: -115.502
flat angles C4'-P-C4' energy: -149.325
flat angles P-C4'-P energy: -83.099
tors. eta vs tors. theta energy: -150.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1848.733025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.733025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.733025 (E_RNA)
where:
Base-Base interactions energy: -1279.832
where: short stacking energy: -562.878
Base-Backbone interact. energy: 0.050
local terms energy: -568.950630
where:
bonds (distance) C4'-P energy: -117.105
bonds (distance) P-C4' energy: -103.954
flat angles C4'-P-C4' energy: -132.155
flat angles P-C4'-P energy: -80.867
tors. eta vs tors. theta energy: -134.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1612.917274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.917274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.917274 (E_RNA)
where:
Base-Base interactions energy: -1051.218
where: short stacking energy: -472.424
Base-Backbone interact. energy: -1.201
local terms energy: -560.498180
where:
bonds (distance) C4'-P energy: -107.492
bonds (distance) P-C4' energy: -131.937
flat angles C4'-P-C4' energy: -129.790
flat angles P-C4'-P energy: -86.554
tors. eta vs tors. theta energy: -104.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1381.166344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.166344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.166344 (E_RNA)
where:
Base-Base interactions energy: -867.014
where: short stacking energy: -404.270
Base-Backbone interact. energy: -1.230
local terms energy: -512.921769
where:
bonds (distance) C4'-P energy: -109.767
bonds (distance) P-C4' energy: -114.946
flat angles C4'-P-C4' energy: -130.480
flat angles P-C4'-P energy: -66.224
tors. eta vs tors. theta energy: -91.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1144.581603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.581603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.581603 (E_RNA)
where:
Base-Base interactions energy: -691.660
where: short stacking energy: -334.805
Base-Backbone interact. energy: -5.605
local terms energy: -447.315882
where:
bonds (distance) C4'-P energy: -104.483
bonds (distance) P-C4' energy: -117.420
flat angles C4'-P-C4' energy: -90.703
flat angles P-C4'-P energy: -79.705
tors. eta vs tors. theta energy: -55.006
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: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -830.337716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.337716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.337716 (E_RNA)
where:
Base-Base interactions energy: -409.287
where: short stacking energy: -232.060
Base-Backbone interact. energy: 1.095
local terms energy: -422.146105
where:
bonds (distance) C4'-P energy: -112.002
bonds (distance) P-C4' energy: -118.363
flat angles C4'-P-C4' energy: -107.344
flat angles P-C4'-P energy: -67.017
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -671.413655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.413655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.413655 (E_RNA)
where:
Base-Base interactions energy: -311.738
where: short stacking energy: -185.197
Base-Backbone interact. energy: -0.094
local terms energy: -359.581727
where:
bonds (distance) C4'-P energy: -99.571
bonds (distance) P-C4' energy: -122.425
flat angles C4'-P-C4' energy: -91.445
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2276.456075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.456075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.456075 (E_RNA)
where:
Base-Base interactions energy: -1570.391
where: short stacking energy: -668.648
Base-Backbone interact. energy: -0.723
local terms energy: -705.341340
where:
bonds (distance) C4'-P energy: -132.773
bonds (distance) P-C4' energy: -130.430
flat angles C4'-P-C4' energy: -158.491
flat angles P-C4'-P energy: -98.374
tors. eta vs tors. theta energy: -185.273
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: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2192.146418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.146418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.146418 (E_RNA)
where:
Base-Base interactions energy: -1531.499
where: short stacking energy: -646.067
Base-Backbone interact. energy: -4.364
local terms energy: -656.283421
where:
bonds (distance) C4'-P energy: -112.230
bonds (distance) P-C4' energy: -125.950
flat angles C4'-P-C4' energy: -144.485
flat angles P-C4'-P energy: -91.867
tors. eta vs tors. theta energy: -181.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2155.022187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.022187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.022187 (E_RNA)
where:
Base-Base interactions energy: -1503.332
where: short stacking energy: -636.577
Base-Backbone interact. energy: -0.335
local terms energy: -651.355129
where:
bonds (distance) C4'-P energy: -115.379
bonds (distance) P-C4' energy: -128.003
flat angles C4'-P-C4' energy: -153.463
flat angles P-C4'-P energy: -76.228
tors. eta vs tors. theta energy: -178.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1941.701189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.701189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.701189 (E_RNA)
where:
Base-Base interactions energy: -1330.807
where: short stacking energy: -586.328
Base-Backbone interact. energy: -3.113
local terms energy: -607.780693
where:
bonds (distance) C4'-P energy: -122.415
bonds (distance) P-C4' energy: -114.576
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -86.256
tors. eta vs tors. theta energy: -152.919
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: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1827.049572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.049572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.049572 (E_RNA)
where:
Base-Base interactions energy: -1222.542
where: short stacking energy: -536.011
Base-Backbone interact. energy: 0.827
local terms energy: -605.334211
where:
bonds (distance) C4'-P energy: -109.839
bonds (distance) P-C4' energy: -116.348
flat angles C4'-P-C4' energy: -140.867
flat angles P-C4'-P energy: -98.136
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1641.300770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.300770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.300770 (E_RNA)
where:
Base-Base interactions energy: -1066.927
where: short stacking energy: -477.521
Base-Backbone interact. energy: -3.441
local terms energy: -570.932836
where:
bonds (distance) C4'-P energy: -115.326
bonds (distance) P-C4' energy: -113.949
flat angles C4'-P-C4' energy: -134.743
flat angles P-C4'-P energy: -88.180
tors. eta vs tors. theta energy: -118.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1388.433532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.433532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.433532 (E_RNA)
where:
Base-Base interactions energy: -899.681
where: short stacking energy: -398.201
Base-Backbone interact. energy: -1.818
local terms energy: -486.934759
where:
bonds (distance) C4'-P energy: -103.746
bonds (distance) P-C4' energy: -113.339
flat angles C4'-P-C4' energy: -100.135
flat angles P-C4'-P energy: -76.536
tors. eta vs tors. theta energy: -93.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1116.505387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.505387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.505387 (E_RNA)
where:
Base-Base interactions energy: -677.541
where: short stacking energy: -329.133
Base-Backbone interact. energy: -1.291
local terms energy: -437.673459
where:
bonds (distance) C4'-P energy: -117.591
bonds (distance) P-C4' energy: -108.900
flat angles C4'-P-C4' energy: -109.908
flat angles P-C4'-P energy: -58.420
tors. eta vs tors. theta energy: -42.855
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: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -780.560430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.560430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.560430 (E_RNA)
where:
Base-Base interactions energy: -406.651
where: short stacking energy: -217.945
Base-Backbone interact. energy: 0.982
local terms energy: -374.891399
where:
bonds (distance) C4'-P energy: -96.632
bonds (distance) P-C4' energy: -106.219
flat angles C4'-P-C4' energy: -104.722
flat angles P-C4'-P energy: -61.341
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -672.605564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.605564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.605564 (E_RNA)
where:
Base-Base interactions energy: -316.526
where: short stacking energy: -182.042
Base-Backbone interact. energy: 0.734
local terms energy: -356.813642
where:
bonds (distance) C4'-P energy: -95.963
bonds (distance) P-C4' energy: -110.165
flat angles C4'-P-C4' energy: -105.559
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2263.122518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.122518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.122518 (E_RNA)
where:
Base-Base interactions energy: -1574.883
where: short stacking energy: -634.942
Base-Backbone interact. energy: -2.820
local terms energy: -685.420060
where:
bonds (distance) C4'-P energy: -123.194
bonds (distance) P-C4' energy: -126.829
flat angles C4'-P-C4' energy: -147.919
flat angles P-C4'-P energy: -98.342
tors. eta vs tors. theta energy: -189.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2210.187501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.187501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.187501 (E_RNA)
where:
Base-Base interactions energy: -1529.137
where: short stacking energy: -636.579
Base-Backbone interact. energy: -2.048
local terms energy: -679.001754
where:
bonds (distance) C4'-P energy: -130.254
bonds (distance) P-C4' energy: -133.407
flat angles C4'-P-C4' energy: -144.529
flat angles P-C4'-P energy: -90.458
tors. eta vs tors. theta energy: -180.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2134.763582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.763582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.763582 (E_RNA)
where:
Base-Base interactions energy: -1457.210
where: short stacking energy: -597.746
Base-Backbone interact. energy: -2.006
local terms energy: -675.548007
where:
bonds (distance) C4'-P energy: -132.782
bonds (distance) P-C4' energy: -125.012
flat angles C4'-P-C4' energy: -137.781
flat angles P-C4'-P energy: -90.794
tors. eta vs tors. theta energy: -189.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1940.536818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.536818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.536818 (E_RNA)
where:
Base-Base interactions energy: -1316.838
where: short stacking energy: -556.607
Base-Backbone interact. energy: -2.935
local terms energy: -620.763605
where:
bonds (distance) C4'-P energy: -126.718
bonds (distance) P-C4' energy: -127.775
flat angles C4'-P-C4' energy: -134.034
flat angles P-C4'-P energy: -77.694
tors. eta vs tors. theta energy: -154.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1859.478711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.478711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.478711 (E_RNA)
where:
Base-Base interactions energy: -1253.790
where: short stacking energy: -530.224
Base-Backbone interact. energy: -2.708
local terms energy: -602.980657
where:
bonds (distance) C4'-P energy: -118.369
bonds (distance) P-C4' energy: -113.208
flat angles C4'-P-C4' energy: -145.270
flat angles P-C4'-P energy: -80.979
tors. eta vs tors. theta energy: -145.154
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: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1597.096250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.096250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.096250 (E_RNA)
where:
Base-Base interactions energy: -1041.339
where: short stacking energy: -476.596
Base-Backbone interact. energy: -2.441
local terms energy: -553.316542
where:
bonds (distance) C4'-P energy: -96.509
bonds (distance) P-C4' energy: -120.706
flat angles C4'-P-C4' energy: -124.155
flat angles P-C4'-P energy: -90.605
tors. eta vs tors. theta energy: -121.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1365.394621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.394621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.394621 (E_RNA)
where:
Base-Base interactions energy: -894.264
where: short stacking energy: -422.422
Base-Backbone interact. energy: 0.773
local terms energy: -471.903066
where:
bonds (distance) C4'-P energy: -82.306
bonds (distance) P-C4' energy: -110.002
flat angles C4'-P-C4' energy: -115.077
flat angles P-C4'-P energy: -71.049
tors. eta vs tors. theta energy: -93.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1184.806614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.806614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.806614 (E_RNA)
where:
Base-Base interactions energy: -749.714
where: short stacking energy: -342.538
Base-Backbone interact. energy: -0.672
local terms energy: -434.421011
where:
bonds (distance) C4'-P energy: -101.972
bonds (distance) P-C4' energy: -125.828
flat angles C4'-P-C4' energy: -83.845
flat angles P-C4'-P energy: -69.311
tors. eta vs tors. theta energy: -53.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -801.283089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.283089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.283089 (E_RNA)
where:
Base-Base interactions energy: -435.318
where: short stacking energy: -229.821
Base-Backbone interact. energy: 0.123
local terms energy: -366.088251
where:
bonds (distance) C4'-P energy: -92.977
bonds (distance) P-C4' energy: -110.485
flat angles C4'-P-C4' energy: -80.510
flat angles P-C4'-P energy: -75.820
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -668.044897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.044897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.044897 (E_RNA)
where:
Base-Base interactions energy: -297.858
where: short stacking energy: -180.915
Base-Backbone interact. energy: 5.252
local terms energy: -375.439140
where:
bonds (distance) C4'-P energy: -116.353
bonds (distance) P-C4' energy: -111.140
flat angles C4'-P-C4' energy: -92.771
flat angles P-C4'-P energy: -57.120
tors. eta vs tors. theta energy: 1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2288.975340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.975340 (E_RNA)
where:
Base-Base interactions energy: -1573.416
where: short stacking energy: -662.077
Base-Backbone interact. energy: -3.289
local terms energy: -712.269984
where:
bonds (distance) C4'-P energy: -140.819
bonds (distance) P-C4' energy: -120.937
flat angles C4'-P-C4' energy: -156.569
flat angles P-C4'-P energy: -100.307
tors. eta vs tors. theta energy: -193.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2171.602925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.602925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.602925 (E_RNA)
where:
Base-Base interactions energy: -1499.189
where: short stacking energy: -622.613
Base-Backbone interact. energy: -2.965
local terms energy: -669.449414
where:
bonds (distance) C4'-P energy: -125.202
bonds (distance) P-C4' energy: -133.146
flat angles C4'-P-C4' energy: -142.492
flat angles P-C4'-P energy: -90.278
tors. eta vs tors. theta energy: -178.333
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: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2139.782102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.782102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.782102 (E_RNA)
where:
Base-Base interactions energy: -1468.870
where: short stacking energy: -588.009
Base-Backbone interact. energy: -4.219
local terms energy: -666.693169
where:
bonds (distance) C4'-P energy: -131.151
bonds (distance) P-C4' energy: -129.363
flat angles C4'-P-C4' energy: -129.890
flat angles P-C4'-P energy: -92.259
tors. eta vs tors. theta energy: -184.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1921.939624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.939624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.939624 (E_RNA)
where:
Base-Base interactions energy: -1297.040
where: short stacking energy: -576.565
Base-Backbone interact. energy: -2.756
local terms energy: -622.143363
where:
bonds (distance) C4'-P energy: -119.122
bonds (distance) P-C4' energy: -122.559
flat angles C4'-P-C4' energy: -140.416
flat angles P-C4'-P energy: -88.564
tors. eta vs tors. theta energy: -151.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1832.304685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.304685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.304685 (E_RNA)
where:
Base-Base interactions energy: -1224.047
where: short stacking energy: -539.071
Base-Backbone interact. energy: -4.329
local terms energy: -603.929270
where:
bonds (distance) C4'-P energy: -127.543
bonds (distance) P-C4' energy: -116.451
flat angles C4'-P-C4' energy: -141.415
flat angles P-C4'-P energy: -80.387
tors. eta vs tors. theta energy: -138.133
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: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1575.226080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.226080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.226080 (E_RNA)
where:
Base-Base interactions energy: -1034.569
where: short stacking energy: -459.474
Base-Backbone interact. energy: -2.573
local terms energy: -538.084147
where:
bonds (distance) C4'-P energy: -120.177
bonds (distance) P-C4' energy: -114.357
flat angles C4'-P-C4' energy: -126.763
flat angles P-C4'-P energy: -72.452
tors. eta vs tors. theta energy: -104.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1375.899226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.899226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.899226 (E_RNA)
where:
Base-Base interactions energy: -874.441
where: short stacking energy: -398.369
Base-Backbone interact. energy: -2.771
local terms energy: -498.686768
where:
bonds (distance) C4'-P energy: -103.621
bonds (distance) P-C4' energy: -116.827
flat angles C4'-P-C4' energy: -130.058
flat angles P-C4'-P energy: -60.320
tors. eta vs tors. theta energy: -87.861
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: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1174.496312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.496312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.496312 (E_RNA)
where:
Base-Base interactions energy: -728.663
where: short stacking energy: -343.196
Base-Backbone interact. energy: 3.124
local terms energy: -448.957130
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -120.637
flat angles C4'-P-C4' energy: -110.031
flat angles P-C4'-P energy: -56.618
tors. eta vs tors. theta energy: -56.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -872.268201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.268201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.268201 (E_RNA)
where:
Base-Base interactions energy: -504.059
where: short stacking energy: -253.289
Base-Backbone interact. energy: -1.828
local terms energy: -366.381276
where:
bonds (distance) C4'-P energy: -111.390
bonds (distance) P-C4' energy: -88.723
flat angles C4'-P-C4' energy: -91.965
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -17.522
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: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -706.610779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.610779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.610779 (E_RNA)
where:
Base-Base interactions energy: -367.553
where: short stacking energy: -206.088
Base-Backbone interact. energy: 1.403
local terms energy: -340.460857
where:
bonds (distance) C4'-P energy: -106.276
bonds (distance) P-C4' energy: -106.381
flat angles C4'-P-C4' energy: -90.991
flat angles P-C4'-P energy: -55.001
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: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2300.969743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.969743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.969743 (E_RNA)
where:
Base-Base interactions energy: -1576.538
where: short stacking energy: -660.057
Base-Backbone interact. energy: -3.471
local terms energy: -720.960523
where:
bonds (distance) C4'-P energy: -128.003
bonds (distance) P-C4' energy: -133.348
flat angles C4'-P-C4' energy: -159.449
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -202.746
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: 157
Temperature: 0.950000
Total energy: -2194.251048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.251048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.251048 (E_RNA)
where:
Base-Base interactions energy: -1524.924
where: short stacking energy: -608.731
Base-Backbone interact. energy: 0.490
local terms energy: -669.817072
where:
bonds (distance) C4'-P energy: -139.161
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -148.683
flat angles P-C4'-P energy: -93.585
tors. eta vs tors. theta energy: -168.068
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: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2088.028999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.028999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.028999 (E_RNA)
where:
Base-Base interactions energy: -1453.835
where: short stacking energy: -627.244
Base-Backbone interact. energy: -3.079
local terms energy: -631.114954
where:
bonds (distance) C4'-P energy: -103.323
bonds (distance) P-C4' energy: -123.199
flat angles C4'-P-C4' energy: -130.438
flat angles P-C4'-P energy: -100.885
tors. eta vs tors. theta energy: -173.269
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: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1968.983087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.983087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.983087 (E_RNA)
where:
Base-Base interactions energy: -1351.930
where: short stacking energy: -544.627
Base-Backbone interact. energy: -3.330
local terms energy: -613.723353
where:
bonds (distance) C4'-P energy: -112.361
bonds (distance) P-C4' energy: -127.282
flat angles C4'-P-C4' energy: -130.610
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -150.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1835.248802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.248802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.248802 (E_RNA)
where:
Base-Base interactions energy: -1239.397
where: short stacking energy: -538.572
Base-Backbone interact. energy: 0.057
local terms energy: -595.909535
where:
bonds (distance) C4'-P energy: -112.519
bonds (distance) P-C4' energy: -118.954
flat angles C4'-P-C4' energy: -126.082
flat angles P-C4'-P energy: -94.774
tors. eta vs tors. theta energy: -143.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1602.301098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.301098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.301098 (E_RNA)
where:
Base-Base interactions energy: -1052.074
where: short stacking energy: -482.309
Base-Backbone interact. energy: -0.231
local terms energy: -549.995690
where:
bonds (distance) C4'-P energy: -118.152
bonds (distance) P-C4' energy: -107.205
flat angles C4'-P-C4' energy: -127.511
flat angles P-C4'-P energy: -75.952
tors. eta vs tors. theta energy: -121.175
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: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1423.726354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.726354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.726354 (E_RNA)
where:
Base-Base interactions energy: -894.060
where: short stacking energy: -379.288
Base-Backbone interact. energy: 1.251
local terms energy: -530.916871
where:
bonds (distance) C4'-P energy: -116.206
bonds (distance) P-C4' energy: -130.987
flat angles C4'-P-C4' energy: -118.320
flat angles P-C4'-P energy: -89.377
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: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1312.938113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.938113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.938113 (E_RNA)
where:
Base-Base interactions energy: -821.821
where: short stacking energy: -399.711
Base-Backbone interact. energy: 0.724
local terms energy: -491.841413
where:
bonds (distance) C4'-P energy: -125.461
bonds (distance) P-C4' energy: -117.929
flat angles C4'-P-C4' energy: -87.300
flat angles P-C4'-P energy: -72.941
tors. eta vs tors. theta energy: -88.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -926.082649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.082649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.082649 (E_RNA)
where:
Base-Base interactions energy: -501.103
where: short stacking energy: -271.697
Base-Backbone interact. energy: 1.413
local terms energy: -426.393087
where:
bonds (distance) C4'-P energy: -116.515
bonds (distance) P-C4' energy: -118.998
flat angles C4'-P-C4' energy: -93.971
flat angles P-C4'-P energy: -60.722
tors. eta vs tors. theta energy: -36.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -808.524997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.524997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.524997 (E_RNA)
where:
Base-Base interactions energy: -428.484
where: short stacking energy: -241.156
Base-Backbone interact. energy: -1.344
local terms energy: -378.697179
where:
bonds (distance) C4'-P energy: -111.733
bonds (distance) P-C4' energy: -99.295
flat angles C4'-P-C4' energy: -80.767
flat angles P-C4'-P energy: -69.426
tors. eta vs tors. theta energy: -17.476
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: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2284.938083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.938083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.938083 (E_RNA)
where:
Base-Base interactions energy: -1582.232
where: short stacking energy: -651.182
Base-Backbone interact. energy: -1.402
local terms energy: -701.304194
where:
bonds (distance) C4'-P energy: -134.725
bonds (distance) P-C4' energy: -133.377
flat angles C4'-P-C4' energy: -157.301
flat angles P-C4'-P energy: -93.245
tors. eta vs tors. theta energy: -182.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2201.121042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.121042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.121042 (E_RNA)
where:
Base-Base interactions energy: -1538.628
where: short stacking energy: -652.304
Base-Backbone interact. energy: -0.119
local terms energy: -662.374650
where:
bonds (distance) C4'-P energy: -130.077
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -142.364
flat angles P-C4'-P energy: -90.698
tors. eta vs tors. theta energy: -169.400
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: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2129.191892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.191892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.191892 (E_RNA)
where:
Base-Base interactions energy: -1480.895
where: short stacking energy: -648.636
Base-Backbone interact. energy: -3.752
local terms energy: -644.545069
where:
bonds (distance) C4'-P energy: -124.914
bonds (distance) P-C4' energy: -125.141
flat angles C4'-P-C4' energy: -128.867
flat angles P-C4'-P energy: -94.933
tors. eta vs tors. theta energy: -170.690
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: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1908.427051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.427051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.427051 (E_RNA)
where:
Base-Base interactions energy: -1311.140
where: short stacking energy: -555.918
Base-Backbone interact. energy: 4.359
local terms energy: -601.645628
where:
bonds (distance) C4'-P energy: -130.342
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -137.950
flat angles P-C4'-P energy: -78.071
tors. eta vs tors. theta energy: -140.265
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: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1850.391261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.391261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.391261 (E_RNA)
where:
Base-Base interactions energy: -1256.160
where: short stacking energy: -540.979
Base-Backbone interact. energy: -4.022
local terms energy: -590.209489
where:
bonds (distance) C4'-P energy: -114.447
bonds (distance) P-C4' energy: -113.151
flat angles C4'-P-C4' energy: -131.606
flat angles P-C4'-P energy: -83.693
tors. eta vs tors. theta energy: -147.313
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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1652.270710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.270710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.270710 (E_RNA)
where:
Base-Base interactions energy: -1093.846
where: short stacking energy: -497.619
Base-Backbone interact. energy: -0.247
local terms energy: -558.177262
where:
bonds (distance) C4'-P energy: -114.843
bonds (distance) P-C4' energy: -115.725
flat angles C4'-P-C4' energy: -119.253
flat angles P-C4'-P energy: -86.966
tors. eta vs tors. theta energy: -121.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1422.207962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.207962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.207962 (E_RNA)
where:
Base-Base interactions energy: -909.351
where: short stacking energy: -422.180
Base-Backbone interact. energy: -1.382
local terms energy: -511.475424
where:
bonds (distance) C4'-P energy: -117.352
bonds (distance) P-C4' energy: -117.735
flat angles C4'-P-C4' energy: -115.604
flat angles P-C4'-P energy: -68.628
tors. eta vs tors. theta energy: -92.157
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: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1298.850125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.850125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.850125 (E_RNA)
where:
Base-Base interactions energy: -827.286
where: short stacking energy: -369.093
Base-Backbone interact. energy: -0.328
local terms energy: -471.236367
where:
bonds (distance) C4'-P energy: -110.185
bonds (distance) P-C4' energy: -117.533
flat angles C4'-P-C4' energy: -118.015
flat angles P-C4'-P energy: -56.533
tors. eta vs tors. theta energy: -68.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -934.413907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.413907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.413907 (E_RNA)
where:
Base-Base interactions energy: -516.299
where: short stacking energy: -267.100
Base-Backbone interact. energy: -2.804
local terms energy: -415.310841
where:
bonds (distance) C4'-P energy: -109.903
bonds (distance) P-C4' energy: -118.296
flat angles C4'-P-C4' energy: -104.851
flat angles P-C4'-P energy: -58.212
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -751.552349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.552349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.552349 (E_RNA)
where:
Base-Base interactions energy: -394.409
where: short stacking energy: -188.021
Base-Backbone interact. energy: 6.248
local terms energy: -363.390856
where:
bonds (distance) C4'-P energy: -105.197
bonds (distance) P-C4' energy: -111.947
flat angles C4'-P-C4' energy: -99.003
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: 8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2265.260421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.260421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.260421 (E_RNA)
where:
Base-Base interactions energy: -1565.526
where: short stacking energy: -658.382
Base-Backbone interact. energy: -2.026
local terms energy: -697.707619
where:
bonds (distance) C4'-P energy: -132.849
bonds (distance) P-C4' energy: -146.647
flat angles C4'-P-C4' energy: -135.400
flat angles P-C4'-P energy: -107.436
tors. eta vs tors. theta energy: -175.376
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: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2193.774160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.774160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.774160 (E_RNA)
where:
Base-Base interactions energy: -1525.303
where: short stacking energy: -627.021
Base-Backbone interact. energy: -0.948
local terms energy: -667.522687
where:
bonds (distance) C4'-P energy: -134.166
bonds (distance) P-C4' energy: -125.717
flat angles C4'-P-C4' energy: -143.004
flat angles P-C4'-P energy: -91.131
tors. eta vs tors. theta energy: -173.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2155.011996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.011996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.011996 (E_RNA)
where:
Base-Base interactions energy: -1502.245
where: short stacking energy: -631.589
Base-Backbone interact. energy: -5.806
local terms energy: -646.961323
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -113.551
flat angles C4'-P-C4' energy: -147.811
flat angles P-C4'-P energy: -97.247
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: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1878.737883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.737883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.737883 (E_RNA)
where:
Base-Base interactions energy: -1273.436
where: short stacking energy: -536.894
Base-Backbone interact. energy: -1.288
local terms energy: -604.013724
where:
bonds (distance) C4'-P energy: -121.409
bonds (distance) P-C4' energy: -126.743
flat angles C4'-P-C4' energy: -136.140
flat angles P-C4'-P energy: -85.721
tors. eta vs tors. theta energy: -134.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1796.370867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.370867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.370867 (E_RNA)
where:
Base-Base interactions energy: -1206.904
where: short stacking energy: -541.151
Base-Backbone interact. energy: -1.638
local terms energy: -587.828129
where:
bonds (distance) C4'-P energy: -111.511
bonds (distance) P-C4' energy: -119.307
flat angles C4'-P-C4' energy: -130.410
flat angles P-C4'-P energy: -86.068
tors. eta vs tors. theta energy: -140.532
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: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1716.160283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.160283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.160283 (E_RNA)
where:
Base-Base interactions energy: -1138.915
where: short stacking energy: -520.109
Base-Backbone interact. energy: 0.229
local terms energy: -577.475031
where:
bonds (distance) C4'-P energy: -117.763
bonds (distance) P-C4' energy: -120.191
flat angles C4'-P-C4' energy: -134.635
flat angles P-C4'-P energy: -75.964
tors. eta vs tors. theta energy: -128.921
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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1494.300677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.300677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.300677 (E_RNA)
where:
Base-Base interactions energy: -978.220
where: short stacking energy: -414.443
Base-Backbone interact. energy: -0.212
local terms energy: -515.868579
where:
bonds (distance) C4'-P energy: -111.778
bonds (distance) P-C4' energy: -123.897
flat angles C4'-P-C4' energy: -121.976
flat angles P-C4'-P energy: -72.808
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1359.522187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.522187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.522187 (E_RNA)
where:
Base-Base interactions energy: -869.805
where: short stacking energy: -413.007
Base-Backbone interact. energy: 0.135
local terms energy: -489.852475
where:
bonds (distance) C4'-P energy: -113.463
bonds (distance) P-C4' energy: -105.354
flat angles C4'-P-C4' energy: -106.244
flat angles P-C4'-P energy: -68.117
tors. eta vs tors. theta energy: -96.675
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: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -888.266274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.266274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.266274 (E_RNA)
where:
Base-Base interactions energy: -505.496
where: short stacking energy: -252.742
Base-Backbone interact. energy: 3.931
local terms energy: -386.700594
where:
bonds (distance) C4'-P energy: -98.429
bonds (distance) P-C4' energy: -116.711
flat angles C4'-P-C4' energy: -95.446
flat angles P-C4'-P energy: -58.583
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -662.896832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.896832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.896832 (E_RNA)
where:
Base-Base interactions energy: -334.916
where: short stacking energy: -198.896
Base-Backbone interact. energy: -1.999
local terms energy: -325.981283
where:
bonds (distance) C4'-P energy: -98.886
bonds (distance) P-C4' energy: -100.314
flat angles C4'-P-C4' energy: -86.786
flat angles P-C4'-P energy: -56.448
tors. eta vs tors. theta energy: 16.452
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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2282.921848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.921848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.921848 (E_RNA)
where:
Base-Base interactions energy: -1576.666
where: short stacking energy: -638.338
Base-Backbone interact. energy: -5.002
local terms energy: -701.253779
where:
bonds (distance) C4'-P energy: -126.365
bonds (distance) P-C4' energy: -140.892
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -104.335
tors. eta vs tors. theta energy: -176.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2173.101194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.101194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.101194 (E_RNA)
where:
Base-Base interactions energy: -1513.754
where: short stacking energy: -594.758
Base-Backbone interact. energy: 1.218
local terms energy: -660.565721
where:
bonds (distance) C4'-P energy: -131.492
bonds (distance) P-C4' energy: -120.360
flat angles C4'-P-C4' energy: -145.185
flat angles P-C4'-P energy: -90.460
tors. eta vs tors. theta energy: -173.068
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: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2151.992903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.992903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.992903 (E_RNA)
where:
Base-Base interactions energy: -1490.387
where: short stacking energy: -620.554
Base-Backbone interact. energy: -5.304
local terms energy: -656.301562
where:
bonds (distance) C4'-P energy: -113.720
bonds (distance) P-C4' energy: -122.148
flat angles C4'-P-C4' energy: -138.036
flat angles P-C4'-P energy: -93.104
tors. eta vs tors. theta energy: -189.294
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1920.032170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.032170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.032170 (E_RNA)
where:
Base-Base interactions energy: -1315.688
where: short stacking energy: -546.369
Base-Backbone interact. energy: -3.740
local terms energy: -600.603962
where:
bonds (distance) C4'-P energy: -106.611
bonds (distance) P-C4' energy: -125.439
flat angles C4'-P-C4' energy: -130.145
flat angles P-C4'-P energy: -95.293
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: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1889.323627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.323627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.323627 (E_RNA)
where:
Base-Base interactions energy: -1304.918
where: short stacking energy: -556.101
Base-Backbone interact. energy: -3.277
local terms energy: -581.128126
where:
bonds (distance) C4'-P energy: -115.856
bonds (distance) P-C4' energy: -118.806
flat angles C4'-P-C4' energy: -129.561
flat angles P-C4'-P energy: -77.235
tors. eta vs tors. theta energy: -139.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1777.644112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.644112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.644112 (E_RNA)
where:
Base-Base interactions energy: -1222.967
where: short stacking energy: -534.893
Base-Backbone interact. energy: -2.509
local terms energy: -552.168845
where:
bonds (distance) C4'-P energy: -106.823
bonds (distance) P-C4' energy: -98.596
flat angles C4'-P-C4' energy: -136.608
flat angles P-C4'-P energy: -70.903
tors. eta vs tors. theta energy: -139.239
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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1496.387901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.387901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.387901 (E_RNA)
where:
Base-Base interactions energy: -1005.334
where: short stacking energy: -428.531
Base-Backbone interact. energy: 0.870
local terms energy: -491.923866
where:
bonds (distance) C4'-P energy: -99.837
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -109.594
flat angles P-C4'-P energy: -71.840
tors. eta vs tors. theta energy: -94.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1345.739719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.739719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.739719 (E_RNA)
where:
Base-Base interactions energy: -855.846
where: short stacking energy: -402.215
Base-Backbone interact. energy: -1.732
local terms energy: -488.161515
where:
bonds (distance) C4'-P energy: -92.695
bonds (distance) P-C4' energy: -115.879
flat angles C4'-P-C4' energy: -118.811
flat angles P-C4'-P energy: -78.756
tors. eta vs tors. theta energy: -82.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -849.685771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.685771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.685771 (E_RNA)
where:
Base-Base interactions energy: -467.538
where: short stacking energy: -218.601
Base-Backbone interact. energy: -1.122
local terms energy: -381.025565
where:
bonds (distance) C4'-P energy: -91.616
bonds (distance) P-C4' energy: -104.863
flat angles C4'-P-C4' energy: -93.722
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -642.726776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.726776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.726776 (E_RNA)
where:
Base-Base interactions energy: -309.578
where: short stacking energy: -194.602
Base-Backbone interact. energy: -1.972
local terms energy: -331.176594
where:
bonds (distance) C4'-P energy: -94.905
bonds (distance) P-C4' energy: -94.070
flat angles C4'-P-C4' energy: -108.199
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: 7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2282.003305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.003305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.003305 (E_RNA)
where:
Base-Base interactions energy: -1576.426
where: short stacking energy: -661.948
Base-Backbone interact. energy: -2.819
local terms energy: -702.757700
where:
bonds (distance) C4'-P energy: -131.735
bonds (distance) P-C4' energy: -130.658
flat angles C4'-P-C4' energy: -150.540
flat angles P-C4'-P energy: -96.398
tors. eta vs tors. theta energy: -193.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2175.855285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.855285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.855285 (E_RNA)
where:
Base-Base interactions energy: -1531.602
where: short stacking energy: -639.112
Base-Backbone interact. energy: 0.676
local terms energy: -644.928888
where:
bonds (distance) C4'-P energy: -113.992
bonds (distance) P-C4' energy: -126.826
flat angles C4'-P-C4' energy: -132.887
flat angles P-C4'-P energy: -99.847
tors. eta vs tors. theta energy: -171.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2084.224122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.224122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.224122 (E_RNA)
where:
Base-Base interactions energy: -1446.290
where: short stacking energy: -599.939
Base-Backbone interact. energy: -3.507
local terms energy: -634.427134
where:
bonds (distance) C4'-P energy: -92.230
bonds (distance) P-C4' energy: -110.850
flat angles C4'-P-C4' energy: -149.848
flat angles P-C4'-P energy: -105.887
tors. eta vs tors. theta energy: -175.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1927.221159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.221159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.221159 (E_RNA)
where:
Base-Base interactions energy: -1313.259
where: short stacking energy: -559.896
Base-Backbone interact. energy: -5.790
local terms energy: -608.171811
where:
bonds (distance) C4'-P energy: -121.585
bonds (distance) P-C4' energy: -135.216
flat angles C4'-P-C4' energy: -130.091
flat angles P-C4'-P energy: -82.105
tors. eta vs tors. theta energy: -139.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1911.503621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.503621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.503621 (E_RNA)
where:
Base-Base interactions energy: -1295.449
where: short stacking energy: -532.619
Base-Backbone interact. energy: -3.516
local terms energy: -612.537958
where:
bonds (distance) C4'-P energy: -114.365
bonds (distance) P-C4' energy: -127.594
flat angles C4'-P-C4' energy: -140.683
flat angles P-C4'-P energy: -86.650
tors. eta vs tors. theta energy: -143.245
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: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1764.473649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.473649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.473649 (E_RNA)
where:
Base-Base interactions energy: -1197.852
where: short stacking energy: -542.558
Base-Backbone interact. energy: 2.259
local terms energy: -568.881046
where:
bonds (distance) C4'-P energy: -114.132
bonds (distance) P-C4' energy: -106.145
flat angles C4'-P-C4' energy: -135.227
flat angles P-C4'-P energy: -78.653
tors. eta vs tors. theta energy: -134.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1447.672190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.672190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.672190 (E_RNA)
where:
Base-Base interactions energy: -939.512
where: short stacking energy: -425.603
Base-Backbone interact. energy: 2.469
local terms energy: -510.629551
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -119.739
flat angles C4'-P-C4' energy: -116.334
flat angles P-C4'-P energy: -69.887
tors. eta vs tors. theta energy: -101.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1348.911406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.911406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.911406 (E_RNA)
where:
Base-Base interactions energy: -867.484
where: short stacking energy: -393.269
Base-Backbone interact. energy: 0.484
local terms energy: -481.911611
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -117.967
flat angles C4'-P-C4' energy: -124.570
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -77.517
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: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -901.726326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.726326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.726326 (E_RNA)
where:
Base-Base interactions energy: -494.537
where: short stacking energy: -265.991
Base-Backbone interact. energy: -0.536
local terms energy: -406.652955
where:
bonds (distance) C4'-P energy: -105.328
bonds (distance) P-C4' energy: -121.798
flat angles C4'-P-C4' energy: -101.940
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -668.585340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.585340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.585340 (E_RNA)
where:
Base-Base interactions energy: -306.021
where: short stacking energy: -181.138
Base-Backbone interact. energy: -0.350
local terms energy: -362.213874
where:
bonds (distance) C4'-P energy: -93.493
bonds (distance) P-C4' energy: -112.248
flat angles C4'-P-C4' energy: -100.124
flat angles P-C4'-P energy: -48.190
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2273.239193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.239193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.239193 (E_RNA)
where:
Base-Base interactions energy: -1575.178
where: short stacking energy: -670.191
Base-Backbone interact. energy: -2.466
local terms energy: -695.595337
where:
bonds (distance) C4'-P energy: -132.451
bonds (distance) P-C4' energy: -129.746
flat angles C4'-P-C4' energy: -145.531
flat angles P-C4'-P energy: -96.124
tors. eta vs tors. theta energy: -191.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2181.317746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.317746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.317746 (E_RNA)
where:
Base-Base interactions energy: -1502.671
where: short stacking energy: -618.187
Base-Backbone interact. energy: 1.271
local terms energy: -679.918188
where:
bonds (distance) C4'-P energy: -130.375
bonds (distance) P-C4' energy: -136.029
flat angles C4'-P-C4' energy: -157.267
flat angles P-C4'-P energy: -90.934
tors. eta vs tors. theta energy: -165.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2110.877638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.877638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.877638 (E_RNA)
where:
Base-Base interactions energy: -1461.963
where: short stacking energy: -632.800
Base-Backbone interact. energy: 8.146
local terms energy: -657.060979
where:
bonds (distance) C4'-P energy: -125.433
bonds (distance) P-C4' energy: -127.304
flat angles C4'-P-C4' energy: -133.235
flat angles P-C4'-P energy: -88.870
tors. eta vs tors. theta energy: -182.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1899.931570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.931570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.931570 (E_RNA)
where:
Base-Base interactions energy: -1336.878
where: short stacking energy: -547.597
Base-Backbone interact. energy: -4.270
local terms energy: -558.783461
where:
bonds (distance) C4'-P energy: -106.940
bonds (distance) P-C4' energy: -101.915
flat angles C4'-P-C4' energy: -136.617
flat angles P-C4'-P energy: -74.620
tors. eta vs tors. theta energy: -138.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1922.458595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.458595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.458595 (E_RNA)
where:
Base-Base interactions energy: -1330.685
where: short stacking energy: -563.148
Base-Backbone interact. energy: -2.776
local terms energy: -588.997492
where:
bonds (distance) C4'-P energy: -114.742
bonds (distance) P-C4' energy: -109.429
flat angles C4'-P-C4' energy: -145.636
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -151.894
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: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1749.706377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.706377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.706377 (E_RNA)
where:
Base-Base interactions energy: -1188.208
where: short stacking energy: -526.906
Base-Backbone interact. energy: -3.206
local terms energy: -558.292976
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -111.210
flat angles C4'-P-C4' energy: -126.839
flat angles P-C4'-P energy: -85.732
tors. eta vs tors. theta energy: -137.079
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: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1419.148564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.148564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.148564 (E_RNA)
where:
Base-Base interactions energy: -909.852
where: short stacking energy: -407.188
Base-Backbone interact. energy: 0.422
local terms energy: -509.718098
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -126.707
flat angles C4'-P-C4' energy: -116.850
flat angles P-C4'-P energy: -56.593
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: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1330.805992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.805992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.805992 (E_RNA)
where:
Base-Base interactions energy: -856.430
where: short stacking energy: -394.243
Base-Backbone interact. energy: 2.488
local terms energy: -476.864085
where:
bonds (distance) C4'-P energy: -116.673
bonds (distance) P-C4' energy: -106.453
flat angles C4'-P-C4' energy: -114.778
flat angles P-C4'-P energy: -69.527
tors. eta vs tors. theta energy: -69.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -864.102232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.102232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.102232 (E_RNA)
where:
Base-Base interactions energy: -476.056
where: short stacking energy: -250.900
Base-Backbone interact. energy: 6.050
local terms energy: -394.096905
where:
bonds (distance) C4'-P energy: -110.892
bonds (distance) P-C4' energy: -107.967
flat angles C4'-P-C4' energy: -106.638
flat angles P-C4'-P energy: -56.298
tors. eta vs tors. theta energy: -12.302
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: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -696.875635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.875635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.875635 (E_RNA)
where:
Base-Base interactions energy: -321.591
where: short stacking energy: -172.054
Base-Backbone interact. energy: -1.744
local terms energy: -373.540304
where:
bonds (distance) C4'-P energy: -98.318
bonds (distance) P-C4' energy: -115.814
flat angles C4'-P-C4' energy: -79.575
flat angles P-C4'-P energy: -68.115
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2256.837550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.837550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.837550 (E_RNA)
where:
Base-Base interactions energy: -1548.899
where: short stacking energy: -628.408
Base-Backbone interact. energy: -3.927
local terms energy: -704.011069
where:
bonds (distance) C4'-P energy: -127.062
bonds (distance) P-C4' energy: -138.027
flat angles C4'-P-C4' energy: -146.941
flat angles P-C4'-P energy: -104.333
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: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2175.340278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.340278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.340278 (E_RNA)
where:
Base-Base interactions energy: -1513.419
where: short stacking energy: -589.414
Base-Backbone interact. energy: -3.052
local terms energy: -658.869199
where:
bonds (distance) C4'-P energy: -128.705
bonds (distance) P-C4' energy: -131.079
flat angles C4'-P-C4' energy: -149.542
flat angles P-C4'-P energy: -100.636
tors. eta vs tors. theta energy: -148.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2083.984259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.984259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.984259 (E_RNA)
where:
Base-Base interactions energy: -1430.668
where: short stacking energy: -599.002
Base-Backbone interact. energy: 1.154
local terms energy: -654.470865
where:
bonds (distance) C4'-P energy: -132.427
bonds (distance) P-C4' energy: -126.302
flat angles C4'-P-C4' energy: -147.179
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -167.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1895.913934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.913934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.913934 (E_RNA)
where:
Base-Base interactions energy: -1291.161
where: short stacking energy: -572.559
Base-Backbone interact. energy: 0.025
local terms energy: -604.777879
where:
bonds (distance) C4'-P energy: -117.644
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -131.318
flat angles P-C4'-P energy: -86.269
tors. eta vs tors. theta energy: -150.833
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: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1873.096015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.096015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.096015 (E_RNA)
where:
Base-Base interactions energy: -1275.811
where: short stacking energy: -529.125
Base-Backbone interact. energy: 3.007
local terms energy: -600.292266
where:
bonds (distance) C4'-P energy: -106.200
bonds (distance) P-C4' energy: -131.711
flat angles C4'-P-C4' energy: -131.086
flat angles P-C4'-P energy: -89.388
tors. eta vs tors. theta energy: -141.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1741.534038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.534038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.534038 (E_RNA)
where:
Base-Base interactions energy: -1170.553
where: short stacking energy: -501.230
Base-Backbone interact. energy: -4.818
local terms energy: -566.163090
where:
bonds (distance) C4'-P energy: -84.931
bonds (distance) P-C4' energy: -125.211
flat angles C4'-P-C4' energy: -137.198
flat angles P-C4'-P energy: -82.854
tors. eta vs tors. theta energy: -135.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1382.462209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.462209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.462209 (E_RNA)
where:
Base-Base interactions energy: -859.420
where: short stacking energy: -386.564
Base-Backbone interact. energy: -1.104
local terms energy: -521.938907
where:
bonds (distance) C4'-P energy: -114.014
bonds (distance) P-C4' energy: -136.174
flat angles C4'-P-C4' energy: -122.508
flat angles P-C4'-P energy: -71.419
tors. eta vs tors. theta energy: -77.824
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1325.227947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.227947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.227947 (E_RNA)
where:
Base-Base interactions energy: -820.798
where: short stacking energy: -394.290
Base-Backbone interact. energy: 0.020
local terms energy: -504.449133
where:
bonds (distance) C4'-P energy: -104.848
bonds (distance) P-C4' energy: -104.297
flat angles C4'-P-C4' energy: -126.993
flat angles P-C4'-P energy: -69.959
tors. eta vs tors. theta energy: -98.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -837.496854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.496854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.496854 (E_RNA)
where:
Base-Base interactions energy: -453.686
where: short stacking energy: -228.177
Base-Backbone interact. energy: 1.346
local terms energy: -385.157098
where:
bonds (distance) C4'-P energy: -106.785
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -96.160
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -16.916
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: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -708.069177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.069177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.069177 (E_RNA)
where:
Base-Base interactions energy: -370.565
where: short stacking energy: -227.408
Base-Backbone interact. energy: -2.686
local terms energy: -334.818047
where:
bonds (distance) C4'-P energy: -77.783
bonds (distance) P-C4' energy: -118.623
flat angles C4'-P-C4' energy: -95.025
flat angles P-C4'-P energy: -49.178
tors. eta vs tors. theta energy: 5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2300.700800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.700800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.700800 (E_RNA)
where:
Base-Base interactions energy: -1579.123
where: short stacking energy: -639.968
Base-Backbone interact. energy: -5.090
local terms energy: -716.487562
where:
bonds (distance) C4'-P energy: -128.669
bonds (distance) P-C4' energy: -139.082
flat angles C4'-P-C4' energy: -144.876
flat angles P-C4'-P energy: -111.015
tors. eta vs tors. theta energy: -192.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2174.777265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.777265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.777265 (E_RNA)
where:
Base-Base interactions energy: -1516.498
where: short stacking energy: -609.787
Base-Backbone interact. energy: -1.829
local terms energy: -656.450306
where:
bonds (distance) C4'-P energy: -138.463
bonds (distance) P-C4' energy: -120.254
flat angles C4'-P-C4' energy: -136.117
flat angles P-C4'-P energy: -96.680
tors. eta vs tors. theta energy: -164.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2100.881274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.881274 (E_RNA)
where:
Base-Base interactions energy: -1441.914
where: short stacking energy: -629.897
Base-Backbone interact. energy: 0.176
local terms energy: -659.143710
where:
bonds (distance) C4'-P energy: -122.021
bonds (distance) P-C4' energy: -117.110
flat angles C4'-P-C4' energy: -145.730
flat angles P-C4'-P energy: -96.217
tors. eta vs tors. theta energy: -178.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1863.275761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.275761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.275761 (E_RNA)
where:
Base-Base interactions energy: -1298.129
where: short stacking energy: -537.417
Base-Backbone interact. energy: 5.657
local terms energy: -570.803691
where:
bonds (distance) C4'-P energy: -120.327
bonds (distance) P-C4' energy: -116.484
flat angles C4'-P-C4' energy: -135.116
flat angles P-C4'-P energy: -72.681
tors. eta vs tors. theta energy: -126.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1871.509213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.509213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.509213 (E_RNA)
where:
Base-Base interactions energy: -1268.578
where: short stacking energy: -544.820
Base-Backbone interact. energy: -0.596
local terms energy: -602.335429
where:
bonds (distance) C4'-P energy: -105.425
bonds (distance) P-C4' energy: -128.199
flat angles C4'-P-C4' energy: -139.815
flat angles P-C4'-P energy: -78.303
tors. eta vs tors. theta energy: -150.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1691.758352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.758352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.758352 (E_RNA)
where:
Base-Base interactions energy: -1170.573
where: short stacking energy: -497.841
Base-Backbone interact. energy: 4.720
local terms energy: -525.906097
where:
bonds (distance) C4'-P energy: -91.697
bonds (distance) P-C4' energy: -123.334
flat angles C4'-P-C4' energy: -131.744
flat angles P-C4'-P energy: -70.476
tors. eta vs tors. theta energy: -108.656
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1379.521853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.521853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.521853 (E_RNA)
where:
Base-Base interactions energy: -889.777
where: short stacking energy: -415.327
Base-Backbone interact. energy: -2.326
local terms energy: -487.418926
where:
bonds (distance) C4'-P energy: -112.388
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -110.849
flat angles P-C4'-P energy: -86.260
tors. eta vs tors. theta energy: -80.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1307.512065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.512065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.512065 (E_RNA)
where:
Base-Base interactions energy: -830.802
where: short stacking energy: -397.816
Base-Backbone interact. energy: 0.924
local terms energy: -477.633763
where:
bonds (distance) C4'-P energy: -121.495
bonds (distance) P-C4' energy: -91.903
flat angles C4'-P-C4' energy: -123.558
flat angles P-C4'-P energy: -67.098
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: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -842.516438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.516438 (E_RNA)
where:
Base-Base interactions energy: -438.370
where: short stacking energy: -256.118
Base-Backbone interact. energy: -4.157
local terms energy: -399.989758
where:
bonds (distance) C4'-P energy: -117.375
bonds (distance) P-C4' energy: -112.418
flat angles C4'-P-C4' energy: -97.966
flat angles P-C4'-P energy: -51.411
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -698.047817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.047817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.047817 (E_RNA)
where:
Base-Base interactions energy: -336.343
where: short stacking energy: -209.448
Base-Backbone interact. energy: 1.962
local terms energy: -363.666447
where:
bonds (distance) C4'-P energy: -115.245
bonds (distance) P-C4' energy: -128.313
flat angles C4'-P-C4' energy: -90.189
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: 8.539
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: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2255.772347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.772347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.772347 (E_RNA)
where:
Base-Base interactions energy: -1570.526
where: short stacking energy: -644.246
Base-Backbone interact. energy: -2.736
local terms energy: -682.510635
where:
bonds (distance) C4'-P energy: -129.015
bonds (distance) P-C4' energy: -133.410
flat angles C4'-P-C4' energy: -143.933
flat angles P-C4'-P energy: -92.669
tors. eta vs tors. theta energy: -183.483
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: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2160.659023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.659023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.659023 (E_RNA)
where:
Base-Base interactions energy: -1462.006
where: short stacking energy: -637.728
Base-Backbone interact. energy: -2.837
local terms energy: -695.816223
where:
bonds (distance) C4'-P energy: -139.234
bonds (distance) P-C4' energy: -130.334
flat angles C4'-P-C4' energy: -137.691
flat angles P-C4'-P energy: -94.104
tors. eta vs tors. theta energy: -194.453
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: 165
Temperature: 1.000000
Total energy: -2115.758992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.758992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.758992 (E_RNA)
where:
Base-Base interactions energy: -1475.617
where: short stacking energy: -617.134
Base-Backbone interact. energy: -0.474
local terms energy: -639.667959
where:
bonds (distance) C4'-P energy: -118.132
bonds (distance) P-C4' energy: -105.376
flat angles C4'-P-C4' energy: -146.847
flat angles P-C4'-P energy: -98.488
tors. eta vs tors. theta energy: -170.824
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: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1912.231892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.231892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.231892 (E_RNA)
where:
Base-Base interactions energy: -1289.909
where: short stacking energy: -561.105
Base-Backbone interact. energy: -1.452
local terms energy: -620.871369
where:
bonds (distance) C4'-P energy: -130.466
bonds (distance) P-C4' energy: -120.872
flat angles C4'-P-C4' energy: -134.189
flat angles P-C4'-P energy: -84.495
tors. eta vs tors. theta energy: -150.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1856.048935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.048935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.048935 (E_RNA)
where:
Base-Base interactions energy: -1244.578
where: short stacking energy: -517.193
Base-Backbone interact. energy: -5.473
local terms energy: -605.997631
where:
bonds (distance) C4'-P energy: -129.149
bonds (distance) P-C4' energy: -120.754
flat angles C4'-P-C4' energy: -138.877
flat angles P-C4'-P energy: -83.385
tors. eta vs tors. theta energy: -133.833
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: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1643.140084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.140084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.140084 (E_RNA)
where:
Base-Base interactions energy: -1106.288
where: short stacking energy: -482.040
Base-Backbone interact. energy: -1.062
local terms energy: -535.790743
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -110.389
flat angles C4'-P-C4' energy: -130.334
flat angles P-C4'-P energy: -84.269
tors. eta vs tors. theta energy: -112.404
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: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1432.737343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.737343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.737343 (E_RNA)
where:
Base-Base interactions energy: -957.351
where: short stacking energy: -388.987
Base-Backbone interact. energy: -2.274
local terms energy: -473.112098
where:
bonds (distance) C4'-P energy: -95.000
bonds (distance) P-C4' energy: -114.264
flat angles C4'-P-C4' energy: -121.611
flat angles P-C4'-P energy: -65.240
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1341.815870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.815870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.815870 (E_RNA)
where:
Base-Base interactions energy: -871.242
where: short stacking energy: -377.516
Base-Backbone interact. energy: -3.290
local terms energy: -467.283500
where:
bonds (distance) C4'-P energy: -105.242
bonds (distance) P-C4' energy: -95.403
flat angles C4'-P-C4' energy: -121.898
flat angles P-C4'-P energy: -65.296
tors. eta vs tors. theta energy: -79.445
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: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -929.387893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.387893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.387893 (E_RNA)
where:
Base-Base interactions energy: -521.416
where: short stacking energy: -281.801
Base-Backbone interact. energy: -2.756
local terms energy: -405.216041
where:
bonds (distance) C4'-P energy: -115.173
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -93.227
flat angles P-C4'-P energy: -51.135
tors. eta vs tors. theta energy: -36.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -664.380570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.380570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.380570 (E_RNA)
where:
Base-Base interactions energy: -281.091
where: short stacking energy: -176.663
Base-Backbone interact. energy: -1.511
local terms energy: -381.778574
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -114.688
flat angles C4'-P-C4' energy: -105.727
flat angles P-C4'-P energy: -62.711
tors. eta vs tors. theta energy: 8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2310.808323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.808323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.808323 (E_RNA)
where:
Base-Base interactions energy: -1589.556
where: short stacking energy: -661.004
Base-Backbone interact. energy: -1.856
local terms energy: -719.396846
where:
bonds (distance) C4'-P energy: -136.369
bonds (distance) P-C4' energy: -135.896
flat angles C4'-P-C4' energy: -153.790
flat angles P-C4'-P energy: -106.017
tors. eta vs tors. theta energy: -187.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2170.814370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.814370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.814370 (E_RNA)
where:
Base-Base interactions energy: -1491.766
where: short stacking energy: -643.213
Base-Backbone interact. energy: 0.727
local terms energy: -679.775440
where:
bonds (distance) C4'-P energy: -127.782
bonds (distance) P-C4' energy: -122.906
flat angles C4'-P-C4' energy: -132.447
flat angles P-C4'-P energy: -106.375
tors. eta vs tors. theta energy: -190.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2130.303428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.303428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.303428 (E_RNA)
where:
Base-Base interactions energy: -1481.674
where: short stacking energy: -624.543
Base-Backbone interact. energy: -2.800
local terms energy: -645.829273
where:
bonds (distance) C4'-P energy: -103.190
bonds (distance) P-C4' energy: -129.063
flat angles C4'-P-C4' energy: -139.703
flat angles P-C4'-P energy: -98.541
tors. eta vs tors. theta energy: -175.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1881.226468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.226468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.226468 (E_RNA)
where:
Base-Base interactions energy: -1260.768
where: short stacking energy: -563.422
Base-Backbone interact. energy: -0.520
local terms energy: -619.938577
where:
bonds (distance) C4'-P energy: -113.917
bonds (distance) P-C4' energy: -123.386
flat angles C4'-P-C4' energy: -145.453
flat angles P-C4'-P energy: -84.801
tors. eta vs tors. theta energy: -152.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1860.238841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.238841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.238841 (E_RNA)
where:
Base-Base interactions energy: -1278.106
where: short stacking energy: -542.382
Base-Backbone interact. energy: -0.867
local terms energy: -581.265518
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -127.507
flat angles C4'-P-C4' energy: -127.297
flat angles P-C4'-P energy: -84.367
tors. eta vs tors. theta energy: -136.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1569.503301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.503301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.503301 (E_RNA)
where:
Base-Base interactions energy: -1032.528
where: short stacking energy: -463.817
Base-Backbone interact. energy: -2.548
local terms energy: -534.427217
where:
bonds (distance) C4'-P energy: -90.027
bonds (distance) P-C4' energy: -124.419
flat angles C4'-P-C4' energy: -131.690
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -105.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1465.529924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.529924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.529924 (E_RNA)
where:
Base-Base interactions energy: -980.002
where: short stacking energy: -412.874
Base-Backbone interact. energy: -0.058
local terms energy: -485.470467
where:
bonds (distance) C4'-P energy: -122.133
bonds (distance) P-C4' energy: -107.183
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -68.552
tors. eta vs tors. theta energy: -84.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1338.441382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.441382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.441382 (E_RNA)
where:
Base-Base interactions energy: -874.190
where: short stacking energy: -407.559
Base-Backbone interact. energy: -0.137
local terms energy: -464.114023
where:
bonds (distance) C4'-P energy: -99.983
bonds (distance) P-C4' energy: -96.300
flat angles C4'-P-C4' energy: -125.018
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: -84.036
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: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -833.966986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.966986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.966986 (E_RNA)
where:
Base-Base interactions energy: -438.084
where: short stacking energy: -217.730
Base-Backbone interact. energy: 0.032
local terms energy: -395.914769
where:
bonds (distance) C4'-P energy: -114.652
bonds (distance) P-C4' energy: -127.980
flat angles C4'-P-C4' energy: -111.977
flat angles P-C4'-P energy: -46.084
tors. eta vs tors. theta energy: 4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -576.692181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.692181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.692181 (E_RNA)
where:
Base-Base interactions energy: -214.491
where: short stacking energy: -151.591
Base-Backbone interact. energy: 2.136
local terms energy: -364.336483
where:
bonds (distance) C4'-P energy: -98.782
bonds (distance) P-C4' energy: -126.783
flat angles C4'-P-C4' energy: -93.324
flat angles P-C4'-P energy: -57.536
tors. eta vs tors. theta energy: 12.088
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: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2296.473362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.473362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.473362 (E_RNA)
where:
Base-Base interactions energy: -1594.590
where: short stacking energy: -653.158
Base-Backbone interact. energy: -0.915
local terms energy: -700.968931
where:
bonds (distance) C4'-P energy: -133.328
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -151.945
flat angles P-C4'-P energy: -104.583
tors. eta vs tors. theta energy: -184.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2166.689464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.689464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.689464 (E_RNA)
where:
Base-Base interactions energy: -1463.350
where: short stacking energy: -638.873
Base-Backbone interact. energy: -5.529
local terms energy: -697.809750
where:
bonds (distance) C4'-P energy: -126.325
bonds (distance) P-C4' energy: -138.686
flat angles C4'-P-C4' energy: -150.269
flat angles P-C4'-P energy: -104.742
tors. eta vs tors. theta energy: -177.788
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: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2094.857948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.857948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.857948 (E_RNA)
where:
Base-Base interactions energy: -1438.757
where: short stacking energy: -586.182
Base-Backbone interact. energy: -1.513
local terms energy: -654.588034
where:
bonds (distance) C4'-P energy: -114.380
bonds (distance) P-C4' energy: -129.878
flat angles C4'-P-C4' energy: -147.565
flat angles P-C4'-P energy: -98.426
tors. eta vs tors. theta energy: -164.338
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: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1942.465582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.465582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.465582 (E_RNA)
where:
Base-Base interactions energy: -1340.568
where: short stacking energy: -582.708
Base-Backbone interact. energy: -1.424
local terms energy: -600.473494
where:
bonds (distance) C4'-P energy: -100.841
bonds (distance) P-C4' energy: -117.557
flat angles C4'-P-C4' energy: -145.852
flat angles P-C4'-P energy: -81.991
tors. eta vs tors. theta energy: -154.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1841.001472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.001472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.001472 (E_RNA)
where:
Base-Base interactions energy: -1231.208
where: short stacking energy: -514.731
Base-Backbone interact. energy: -3.979
local terms energy: -605.814365
where:
bonds (distance) C4'-P energy: -136.679
bonds (distance) P-C4' energy: -111.310
flat angles C4'-P-C4' energy: -119.596
flat angles P-C4'-P energy: -98.819
tors. eta vs tors. theta energy: -139.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1544.572691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.572691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.572691 (E_RNA)
where:
Base-Base interactions energy: -1026.965
where: short stacking energy: -467.246
Base-Backbone interact. energy: 8.201
local terms energy: -525.808014
where:
bonds (distance) C4'-P energy: -109.903
bonds (distance) P-C4' energy: -102.695
flat angles C4'-P-C4' energy: -128.746
flat angles P-C4'-P energy: -80.329
tors. eta vs tors. theta energy: -104.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1459.930662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.930662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.930662 (E_RNA)
where:
Base-Base interactions energy: -952.657
where: short stacking energy: -419.931
Base-Backbone interact. energy: -1.416
local terms energy: -505.857179
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -122.146
flat angles C4'-P-C4' energy: -117.028
flat angles P-C4'-P energy: -68.242
tors. eta vs tors. theta energy: -87.827
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: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1285.815888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.815888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.815888 (E_RNA)
where:
Base-Base interactions energy: -817.137
where: short stacking energy: -377.388
Base-Backbone interact. energy: 0.603
local terms energy: -469.282259
where:
bonds (distance) C4'-P energy: -115.013
bonds (distance) P-C4' energy: -116.998
flat angles C4'-P-C4' energy: -105.436
flat angles P-C4'-P energy: -59.549
tors. eta vs tors. theta energy: -72.286
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: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -854.891310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.891310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.891310 (E_RNA)
where:
Base-Base interactions energy: -458.811
where: short stacking energy: -274.424
Base-Backbone interact. energy: -1.533
local terms energy: -394.546967
where:
bonds (distance) C4'-P energy: -96.357
bonds (distance) P-C4' energy: -113.792
flat angles C4'-P-C4' energy: -105.021
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -584.330722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.330722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.330722 (E_RNA)
where:
Base-Base interactions energy: -242.057
where: short stacking energy: -171.680
Base-Backbone interact. energy: 0.843
local terms energy: -343.116823
where:
bonds (distance) C4'-P energy: -105.205
bonds (distance) P-C4' energy: -113.505
flat angles C4'-P-C4' energy: -105.674
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: 23.532
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: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2273.742781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.742781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.742781 (E_RNA)
where:
Base-Base interactions energy: -1586.084
where: short stacking energy: -664.366
Base-Backbone interact. energy: -1.404
local terms energy: -686.254797
where:
bonds (distance) C4'-P energy: -127.898
bonds (distance) P-C4' energy: -126.259
flat angles C4'-P-C4' energy: -146.131
flat angles P-C4'-P energy: -97.108
tors. eta vs tors. theta energy: -188.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2145.573250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.573250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.573250 (E_RNA)
where:
Base-Base interactions energy: -1471.081
where: short stacking energy: -639.429
Base-Backbone interact. energy: -1.015
local terms energy: -673.477366
where:
bonds (distance) C4'-P energy: -128.316
bonds (distance) P-C4' energy: -118.897
flat angles C4'-P-C4' energy: -152.596
flat angles P-C4'-P energy: -95.671
tors. eta vs tors. theta energy: -177.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2085.325035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.325035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.325035 (E_RNA)
where:
Base-Base interactions energy: -1461.338
where: short stacking energy: -589.760
Base-Backbone interact. energy: -0.253
local terms energy: -623.734224
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -127.425
flat angles C4'-P-C4' energy: -139.293
flat angles P-C4'-P energy: -78.167
tors. eta vs tors. theta energy: -150.670
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1917.823242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.823242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.823242 (E_RNA)
where:
Base-Base interactions energy: -1283.717
where: short stacking energy: -588.452
Base-Backbone interact. energy: -3.415
local terms energy: -630.690872
where:
bonds (distance) C4'-P energy: -126.535
bonds (distance) P-C4' energy: -121.638
flat angles C4'-P-C4' energy: -132.153
flat angles P-C4'-P energy: -89.514
tors. eta vs tors. theta energy: -160.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1886.709004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.709004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.709004 (E_RNA)
where:
Base-Base interactions energy: -1320.737
where: short stacking energy: -567.922
Base-Backbone interact. energy: -4.239
local terms energy: -561.733205
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -112.015
flat angles C4'-P-C4' energy: -129.380
flat angles P-C4'-P energy: -68.927
tors. eta vs tors. theta energy: -143.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1635.919273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.919273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.919273 (E_RNA)
where:
Base-Base interactions energy: -1084.468
where: short stacking energy: -469.361
Base-Backbone interact. energy: 1.159
local terms energy: -552.609526
where:
bonds (distance) C4'-P energy: -111.947
bonds (distance) P-C4' energy: -135.787
flat angles C4'-P-C4' energy: -111.893
flat angles P-C4'-P energy: -80.991
tors. eta vs tors. theta energy: -111.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1422.486637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.486637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.486637 (E_RNA)
where:
Base-Base interactions energy: -925.873
where: short stacking energy: -398.255
Base-Backbone interact. energy: -2.551
local terms energy: -494.063192
where:
bonds (distance) C4'-P energy: -105.652
bonds (distance) P-C4' energy: -117.314
flat angles C4'-P-C4' energy: -116.889
flat angles P-C4'-P energy: -61.335
tors. eta vs tors. theta energy: -92.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1326.748083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.748083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.748083 (E_RNA)
where:
Base-Base interactions energy: -853.934
where: short stacking energy: -398.059
Base-Backbone interact. energy: -2.385
local terms energy: -470.429212
where:
bonds (distance) C4'-P energy: -108.965
bonds (distance) P-C4' energy: -110.872
flat angles C4'-P-C4' energy: -109.708
flat angles P-C4'-P energy: -57.942
tors. eta vs tors. theta energy: -82.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -957.562972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.562972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.562972 (E_RNA)
where:
Base-Base interactions energy: -549.349
where: short stacking energy: -258.594
Base-Backbone interact. energy: 0.335
local terms energy: -408.548481
where:
bonds (distance) C4'-P energy: -95.274
bonds (distance) P-C4' energy: -122.697
flat angles C4'-P-C4' energy: -106.519
flat angles P-C4'-P energy: -66.458
tors. eta vs tors. theta energy: -17.601
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: 10, replica: 2
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -597.761604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.761604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.761604 (E_RNA)
where:
Base-Base interactions energy: -274.875
where: short stacking energy: -176.787
Base-Backbone interact. energy: 5.419
local terms energy: -328.306347
where:
bonds (distance) C4'-P energy: -102.379
bonds (distance) P-C4' energy: -103.049
flat angles C4'-P-C4' energy: -88.273
flat angles P-C4'-P energy: -60.388
tors. eta vs tors. theta energy: 25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2317.939426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.939426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.939426 (E_RNA)
where:
Base-Base interactions energy: -1620.167
where: short stacking energy: -664.543
Base-Backbone interact. energy: -2.837
local terms energy: -694.936055
where:
bonds (distance) C4'-P energy: -123.750
bonds (distance) P-C4' energy: -129.609
flat angles C4'-P-C4' energy: -141.658
flat angles P-C4'-P energy: -106.013
tors. eta vs tors. theta energy: -193.905
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2178.405069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.405069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.405069 (E_RNA)
where:
Base-Base interactions energy: -1499.221
where: short stacking energy: -633.175
Base-Backbone interact. energy: 2.302
local terms energy: -681.486310
where:
bonds (distance) C4'-P energy: -115.897
bonds (distance) P-C4' energy: -133.879
flat angles C4'-P-C4' energy: -149.738
flat angles P-C4'-P energy: -107.467
tors. eta vs tors. theta energy: -174.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2031.034470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.034470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.034470 (E_RNA)
where:
Base-Base interactions energy: -1395.751
where: short stacking energy: -592.382
Base-Backbone interact. energy: 0.315
local terms energy: -635.598107
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -128.433
flat angles C4'-P-C4' energy: -140.345
flat angles P-C4'-P energy: -93.920
tors. eta vs tors. theta energy: -150.729
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: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1953.926790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.926790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.926790 (E_RNA)
where:
Base-Base interactions energy: -1334.897
where: short stacking energy: -561.599
Base-Backbone interact. energy: -2.157
local terms energy: -616.872036
where:
bonds (distance) C4'-P energy: -113.089
bonds (distance) P-C4' energy: -134.126
flat angles C4'-P-C4' energy: -141.239
flat angles P-C4'-P energy: -84.541
tors. eta vs tors. theta energy: -143.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1831.861725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.861725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.861725 (E_RNA)
where:
Base-Base interactions energy: -1245.549
where: short stacking energy: -563.223
Base-Backbone interact. energy: -1.227
local terms energy: -585.085477
where:
bonds (distance) C4'-P energy: -102.045
bonds (distance) P-C4' energy: -117.355
flat angles C4'-P-C4' energy: -124.594
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -146.620
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: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1721.910014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.910014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.910014 (E_RNA)
where:
Base-Base interactions energy: -1174.006
where: short stacking energy: -481.363
Base-Backbone interact. energy: -1.957
local terms energy: -545.947060
where:
bonds (distance) C4'-P energy: -110.684
bonds (distance) P-C4' energy: -125.038
flat angles C4'-P-C4' energy: -121.674
flat angles P-C4'-P energy: -72.623
tors. eta vs tors. theta energy: -115.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1455.299414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.299414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.299414 (E_RNA)
where:
Base-Base interactions energy: -944.848
where: short stacking energy: -414.565
Base-Backbone interact. energy: -2.159
local terms energy: -508.292583
where:
bonds (distance) C4'-P energy: -100.468
bonds (distance) P-C4' energy: -115.357
flat angles C4'-P-C4' energy: -133.058
flat angles P-C4'-P energy: -71.537
tors. eta vs tors. theta energy: -87.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1384.355162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.355162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.355162 (E_RNA)
where:
Base-Base interactions energy: -876.449
where: short stacking energy: -405.182
Base-Backbone interact. energy: 0.385
local terms energy: -508.290959
where:
bonds (distance) C4'-P energy: -106.195
bonds (distance) P-C4' energy: -120.862
flat angles C4'-P-C4' energy: -132.786
flat angles P-C4'-P energy: -57.596
tors. eta vs tors. theta energy: -90.853
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: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -981.877121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.877121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.877121 (E_RNA)
where:
Base-Base interactions energy: -564.675
where: short stacking energy: -274.233
Base-Backbone interact. energy: 0.737
local terms energy: -417.938680
where:
bonds (distance) C4'-P energy: -93.466
bonds (distance) P-C4' energy: -123.292
flat angles C4'-P-C4' energy: -103.240
flat angles P-C4'-P energy: -62.239
tors. eta vs tors. theta energy: -35.702
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: 2
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -534.287863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.287863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.287863 (E_RNA)
where:
Base-Base interactions energy: -218.962
where: short stacking energy: -159.631
Base-Backbone interact. energy: -0.186
local terms energy: -315.139536
where:
bonds (distance) C4'-P energy: -98.145
bonds (distance) P-C4' energy: -97.832
flat angles C4'-P-C4' energy: -95.598
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: 23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2282.828263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.828263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.828263 (E_RNA)
where:
Base-Base interactions energy: -1583.476
where: short stacking energy: -648.135
Base-Backbone interact. energy: -3.494
local terms energy: -695.857582
where:
bonds (distance) C4'-P energy: -133.014
bonds (distance) P-C4' energy: -130.079
flat angles C4'-P-C4' energy: -145.269
flat angles P-C4'-P energy: -102.801
tors. eta vs tors. theta energy: -184.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2191.940033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.940033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.940033 (E_RNA)
where:
Base-Base interactions energy: -1513.187
where: short stacking energy: -658.990
Base-Backbone interact. energy: -1.513
local terms energy: -677.240297
where:
bonds (distance) C4'-P energy: -123.392
bonds (distance) P-C4' energy: -138.000
flat angles C4'-P-C4' energy: -147.530
flat angles P-C4'-P energy: -83.429
tors. eta vs tors. theta energy: -184.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2072.537995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.537995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.537995 (E_RNA)
where:
Base-Base interactions energy: -1431.063
where: short stacking energy: -593.084
Base-Backbone interact. energy: -1.280
local terms energy: -640.194377
where:
bonds (distance) C4'-P energy: -123.207
bonds (distance) P-C4' energy: -126.886
flat angles C4'-P-C4' energy: -138.739
flat angles P-C4'-P energy: -88.152
tors. eta vs tors. theta energy: -163.210
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1940.008220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.008220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.008220 (E_RNA)
where:
Base-Base interactions energy: -1313.845
where: short stacking energy: -569.940
Base-Backbone interact. energy: 1.234
local terms energy: -627.396708
where:
bonds (distance) C4'-P energy: -115.617
bonds (distance) P-C4' energy: -127.554
flat angles C4'-P-C4' energy: -139.072
flat angles P-C4'-P energy: -89.852
tors. eta vs tors. theta energy: -155.302
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: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1828.390081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.390081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.390081 (E_RNA)
where:
Base-Base interactions energy: -1248.177
where: short stacking energy: -546.800
Base-Backbone interact. energy: -2.473
local terms energy: -577.740633
where:
bonds (distance) C4'-P energy: -109.418
bonds (distance) P-C4' energy: -121.126
flat angles C4'-P-C4' energy: -120.712
flat angles P-C4'-P energy: -79.943
tors. eta vs tors. theta energy: -146.541
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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1724.342567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.342567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.342567 (E_RNA)
where:
Base-Base interactions energy: -1167.868
where: short stacking energy: -497.480
Base-Backbone interact. energy: -3.294
local terms energy: -553.180009
where:
bonds (distance) C4'-P energy: -118.912
bonds (distance) P-C4' energy: -107.336
flat angles C4'-P-C4' energy: -112.111
flat angles P-C4'-P energy: -83.536
tors. eta vs tors. theta energy: -131.285
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: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1452.437427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.437427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.437427 (E_RNA)
where:
Base-Base interactions energy: -944.395
where: short stacking energy: -420.221
Base-Backbone interact. energy: 3.929
local terms energy: -511.971957
where:
bonds (distance) C4'-P energy: -104.069
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -120.544
flat angles P-C4'-P energy: -73.975
tors. eta vs tors. theta energy: -102.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1272.532779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.532779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.532779 (E_RNA)
where:
Base-Base interactions energy: -823.684
where: short stacking energy: -365.637
Base-Backbone interact. energy: -0.035
local terms energy: -448.814451
where:
bonds (distance) C4'-P energy: -99.582
bonds (distance) P-C4' energy: -105.423
flat angles C4'-P-C4' energy: -109.739
flat angles P-C4'-P energy: -62.134
tors. eta vs tors. theta energy: -71.937
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: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1045.486708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.486708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.486708 (E_RNA)
where:
Base-Base interactions energy: -628.865
where: short stacking energy: -329.276
Base-Backbone interact. energy: -2.499
local terms energy: -414.122767
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -104.726
flat angles P-C4'-P energy: -63.794
tors. eta vs tors. theta energy: -48.661
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: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -536.134421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.134421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.134421 (E_RNA)
where:
Base-Base interactions energy: -186.564
where: short stacking energy: -138.073
Base-Backbone interact. energy: 9.093
local terms energy: -358.663209
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -128.260
flat angles C4'-P-C4' energy: -84.187
flat angles P-C4'-P energy: -59.524
tors. eta vs tors. theta energy: 17.305
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: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2299.101430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.101430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.101430 (E_RNA)
where:
Base-Base interactions energy: -1588.843
where: short stacking energy: -641.511
Base-Backbone interact. energy: -2.593
local terms energy: -707.665521
where:
bonds (distance) C4'-P energy: -130.106
bonds (distance) P-C4' energy: -141.190
flat angles C4'-P-C4' energy: -157.831
flat angles P-C4'-P energy: -103.955
tors. eta vs tors. theta energy: -174.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2187.504685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.504685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.504685 (E_RNA)
where:
Base-Base interactions energy: -1486.783
where: short stacking energy: -634.837
Base-Backbone interact. energy: -6.428
local terms energy: -694.293827
where:
bonds (distance) C4'-P energy: -141.086
bonds (distance) P-C4' energy: -131.102
flat angles C4'-P-C4' energy: -143.220
flat angles P-C4'-P energy: -96.700
tors. eta vs tors. theta energy: -182.185
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: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2080.161463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.161463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.161463 (E_RNA)
where:
Base-Base interactions energy: -1422.946
where: short stacking energy: -607.785
Base-Backbone interact. energy: 8.903
local terms energy: -666.118342
where:
bonds (distance) C4'-P energy: -133.524
bonds (distance) P-C4' energy: -128.160
flat angles C4'-P-C4' energy: -139.207
flat angles P-C4'-P energy: -99.446
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1937.114115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.114115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.114115 (E_RNA)
where:
Base-Base interactions energy: -1308.592
where: short stacking energy: -553.932
Base-Backbone interact. energy: -1.455
local terms energy: -627.067329
where:
bonds (distance) C4'-P energy: -106.043
bonds (distance) P-C4' energy: -122.140
flat angles C4'-P-C4' energy: -138.645
flat angles P-C4'-P energy: -103.190
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: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1825.498601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.498601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.498601 (E_RNA)
where:
Base-Base interactions energy: -1219.636
where: short stacking energy: -538.754
Base-Backbone interact. energy: -1.459
local terms energy: -604.403792
where:
bonds (distance) C4'-P energy: -113.378
bonds (distance) P-C4' energy: -137.520
flat angles C4'-P-C4' energy: -133.818
flat angles P-C4'-P energy: -86.911
tors. eta vs tors. theta energy: -132.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1689.611517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.611517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.611517 (E_RNA)
where:
Base-Base interactions energy: -1119.388
where: short stacking energy: -482.357
Base-Backbone interact. energy: -3.283
local terms energy: -566.940730
where:
bonds (distance) C4'-P energy: -120.404
bonds (distance) P-C4' energy: -109.626
flat angles C4'-P-C4' energy: -128.736
flat angles P-C4'-P energy: -79.561
tors. eta vs tors. theta energy: -128.615
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: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1461.897460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.897460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.897460 (E_RNA)
where:
Base-Base interactions energy: -980.867
where: short stacking energy: -425.394
Base-Backbone interact. energy: -1.050
local terms energy: -479.980466
where:
bonds (distance) C4'-P energy: -107.052
bonds (distance) P-C4' energy: -105.437
flat angles C4'-P-C4' energy: -121.235
flat angles P-C4'-P energy: -56.655
tors. eta vs tors. theta energy: -89.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1328.076627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.076627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.076627 (E_RNA)
where:
Base-Base interactions energy: -823.896
where: short stacking energy: -383.258
Base-Backbone interact. energy: -1.772
local terms energy: -502.407768
where:
bonds (distance) C4'-P energy: -108.324
bonds (distance) P-C4' energy: -117.123
flat angles C4'-P-C4' energy: -108.398
flat angles P-C4'-P energy: -78.717
tors. eta vs tors. theta energy: -89.845
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: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1029.845171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.845171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.845171 (E_RNA)
where:
Base-Base interactions energy: -602.973
where: short stacking energy: -334.672
Base-Backbone interact. energy: 3.299
local terms energy: -430.171571
where:
bonds (distance) C4'-P energy: -99.703
bonds (distance) P-C4' energy: -131.222
flat angles C4'-P-C4' energy: -88.065
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -52.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -577.547788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.547788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.547788 (E_RNA)
where:
Base-Base interactions energy: -250.253
where: short stacking energy: -187.660
Base-Backbone interact. energy: -0.797
local terms energy: -326.497845
where:
bonds (distance) C4'-P energy: -87.531
bonds (distance) P-C4' energy: -117.333
flat angles C4'-P-C4' energy: -89.888
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: 9.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2308.168384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.168384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.168384 (E_RNA)
where:
Base-Base interactions energy: -1613.254
where: short stacking energy: -657.881
Base-Backbone interact. energy: -5.234
local terms energy: -689.680351
where:
bonds (distance) C4'-P energy: -131.255
bonds (distance) P-C4' energy: -134.432
flat angles C4'-P-C4' energy: -148.522
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -184.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2191.947507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.947507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.947507 (E_RNA)
where:
Base-Base interactions energy: -1524.208
where: short stacking energy: -629.197
Base-Backbone interact. energy: -2.284
local terms energy: -665.455822
where:
bonds (distance) C4'-P energy: -131.561
bonds (distance) P-C4' energy: -116.626
flat angles C4'-P-C4' energy: -135.790
flat angles P-C4'-P energy: -102.177
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: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2112.163569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.163569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.163569 (E_RNA)
where:
Base-Base interactions energy: -1480.279
where: short stacking energy: -618.057
Base-Backbone interact. energy: -3.254
local terms energy: -628.630606
where:
bonds (distance) C4'-P energy: -129.007
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -136.194
flat angles P-C4'-P energy: -87.216
tors. eta vs tors. theta energy: -157.222
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: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1899.548639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.548639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.548639 (E_RNA)
where:
Base-Base interactions energy: -1292.600
where: short stacking energy: -544.103
Base-Backbone interact. energy: -1.523
local terms energy: -605.425261
where:
bonds (distance) C4'-P energy: -120.388
bonds (distance) P-C4' energy: -113.768
flat angles C4'-P-C4' energy: -119.977
flat angles P-C4'-P energy: -86.066
tors. eta vs tors. theta energy: -165.226
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: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1869.266788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.266788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.266788 (E_RNA)
where:
Base-Base interactions energy: -1281.417
where: short stacking energy: -531.154
Base-Backbone interact. energy: -3.019
local terms energy: -584.831093
where:
bonds (distance) C4'-P energy: -121.400
bonds (distance) P-C4' energy: -116.084
flat angles C4'-P-C4' energy: -117.479
flat angles P-C4'-P energy: -82.765
tors. eta vs tors. theta energy: -147.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1696.922129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.922129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.922129 (E_RNA)
where:
Base-Base interactions energy: -1158.364
where: short stacking energy: -489.618
Base-Backbone interact. energy: 2.239
local terms energy: -540.797281
where:
bonds (distance) C4'-P energy: -111.011
bonds (distance) P-C4' energy: -113.282
flat angles C4'-P-C4' energy: -121.159
flat angles P-C4'-P energy: -75.456
tors. eta vs tors. theta energy: -119.890
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: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1432.307284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.307284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.307284 (E_RNA)
where:
Base-Base interactions energy: -917.477
where: short stacking energy: -426.109
Base-Backbone interact. energy: 4.818
local terms energy: -519.647942
where:
bonds (distance) C4'-P energy: -105.834
bonds (distance) P-C4' energy: -98.952
flat angles C4'-P-C4' energy: -125.943
flat angles P-C4'-P energy: -89.847
tors. eta vs tors. theta energy: -99.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1322.847613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.847613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.847613 (E_RNA)
where:
Base-Base interactions energy: -827.640
where: short stacking energy: -367.105
Base-Backbone interact. energy: 0.427
local terms energy: -495.634482
where:
bonds (distance) C4'-P energy: -98.443
bonds (distance) P-C4' energy: -112.923
flat angles C4'-P-C4' energy: -121.027
flat angles P-C4'-P energy: -80.071
tors. eta vs tors. theta energy: -83.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -984.634176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.634176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.634176 (E_RNA)
where:
Base-Base interactions energy: -581.904
where: short stacking energy: -303.765
Base-Backbone interact. energy: -1.716
local terms energy: -401.014030
where:
bonds (distance) C4'-P energy: -80.214
bonds (distance) P-C4' energy: -116.618
flat angles C4'-P-C4' energy: -113.389
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: -46.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -587.330730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.330730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.330730 (E_RNA)
where:
Base-Base interactions energy: -237.628
where: short stacking energy: -149.512
Base-Backbone interact. energy: 4.359
local terms energy: -354.061692
where:
bonds (distance) C4'-P energy: -104.644
bonds (distance) P-C4' energy: -121.037
flat angles C4'-P-C4' energy: -98.091
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: 21.750
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: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2337.990023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.990023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.990023 (E_RNA)
where:
Base-Base interactions energy: -1629.632
where: short stacking energy: -681.547
Base-Backbone interact. energy: -0.688
local terms energy: -707.670331
where:
bonds (distance) C4'-P energy: -135.757
bonds (distance) P-C4' energy: -136.909
flat angles C4'-P-C4' energy: -155.479
flat angles P-C4'-P energy: -93.414
tors. eta vs tors. theta energy: -186.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2162.694177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.694177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.694177 (E_RNA)
where:
Base-Base interactions energy: -1476.433
where: short stacking energy: -623.232
Base-Backbone interact. energy: -3.955
local terms energy: -682.306170
where:
bonds (distance) C4'-P energy: -132.709
bonds (distance) P-C4' energy: -140.934
flat angles C4'-P-C4' energy: -135.505
flat angles P-C4'-P energy: -97.552
tors. eta vs tors. theta energy: -175.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2081.058494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.058494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.058494 (E_RNA)
where:
Base-Base interactions energy: -1445.891
where: short stacking energy: -625.310
Base-Backbone interact. energy: -1.621
local terms energy: -633.546463
where:
bonds (distance) C4'-P energy: -126.103
bonds (distance) P-C4' energy: -117.528
flat angles C4'-P-C4' energy: -135.752
flat angles P-C4'-P energy: -88.982
tors. eta vs tors. theta energy: -165.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1886.043641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.043641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.043641 (E_RNA)
where:
Base-Base interactions energy: -1307.438
where: short stacking energy: -534.568
Base-Backbone interact. energy: -2.278
local terms energy: -576.327744
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -97.194
flat angles C4'-P-C4' energy: -123.464
flat angles P-C4'-P energy: -95.062
tors. eta vs tors. theta energy: -144.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1925.577366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.577366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.577366 (E_RNA)
where:
Base-Base interactions energy: -1318.644
where: short stacking energy: -551.659
Base-Backbone interact. energy: -0.069
local terms energy: -606.864808
where:
bonds (distance) C4'-P energy: -126.967
bonds (distance) P-C4' energy: -111.522
flat angles C4'-P-C4' energy: -133.860
flat angles P-C4'-P energy: -87.554
tors. eta vs tors. theta energy: -146.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1670.271479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.271479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.271479 (E_RNA)
where:
Base-Base interactions energy: -1096.958
where: short stacking energy: -481.629
Base-Backbone interact. energy: -3.358
local terms energy: -569.954833
where:
bonds (distance) C4'-P energy: -101.802
bonds (distance) P-C4' energy: -129.200
flat angles C4'-P-C4' energy: -130.347
flat angles P-C4'-P energy: -77.630
tors. eta vs tors. theta energy: -130.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1430.911912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.911912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.911912 (E_RNA)
where:
Base-Base interactions energy: -914.137
where: short stacking energy: -425.299
Base-Backbone interact. energy: -2.229
local terms energy: -514.545928
where:
bonds (distance) C4'-P energy: -111.935
bonds (distance) P-C4' energy: -120.908
flat angles C4'-P-C4' energy: -107.510
flat angles P-C4'-P energy: -72.809
tors. eta vs tors. theta energy: -101.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1260.777970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.777970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.777970 (E_RNA)
where:
Base-Base interactions energy: -782.198
where: short stacking energy: -362.517
Base-Backbone interact. energy: -4.339
local terms energy: -474.240878
where:
bonds (distance) C4'-P energy: -86.078
bonds (distance) P-C4' energy: -140.270
flat angles C4'-P-C4' energy: -110.144
flat angles P-C4'-P energy: -68.263
tors. eta vs tors. theta energy: -69.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -845.210611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.210611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.210611 (E_RNA)
where:
Base-Base interactions energy: -434.127
where: short stacking energy: -246.343
Base-Backbone interact. energy: 1.685
local terms energy: -412.769272
where:
bonds (distance) C4'-P energy: -85.585
bonds (distance) P-C4' energy: -117.024
flat angles C4'-P-C4' energy: -116.867
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -28.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -610.802159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.802159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.802159 (E_RNA)
where:
Base-Base interactions energy: -261.754
where: short stacking energy: -181.911
Base-Backbone interact. energy: 1.566
local terms energy: -350.613816
where:
bonds (distance) C4'-P energy: -109.636
bonds (distance) P-C4' energy: -102.143
flat angles C4'-P-C4' energy: -84.076
flat angles P-C4'-P energy: -63.595
tors. eta vs tors. theta energy: 8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2322.053934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.053934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.053934 (E_RNA)
where:
Base-Base interactions energy: -1640.062
where: short stacking energy: -675.096
Base-Backbone interact. energy: -2.022
local terms energy: -679.969793
where:
bonds (distance) C4'-P energy: -121.122
bonds (distance) P-C4' energy: -135.055
flat angles C4'-P-C4' energy: -143.527
flat angles P-C4'-P energy: -97.966
tors. eta vs tors. theta energy: -182.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2155.783822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.783822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.783822 (E_RNA)
where:
Base-Base interactions energy: -1492.158
where: short stacking energy: -632.277
Base-Backbone interact. energy: 2.894
local terms energy: -666.519668
where:
bonds (distance) C4'-P energy: -123.956
bonds (distance) P-C4' energy: -129.285
flat angles C4'-P-C4' energy: -153.665
flat angles P-C4'-P energy: -91.081
tors. eta vs tors. theta energy: -168.533
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: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2106.639840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.639840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.639840 (E_RNA)
where:
Base-Base interactions energy: -1451.576
where: short stacking energy: -598.797
Base-Backbone interact. energy: 1.849
local terms energy: -656.913494
where:
bonds (distance) C4'-P energy: -128.777
bonds (distance) P-C4' energy: -139.222
flat angles C4'-P-C4' energy: -141.379
flat angles P-C4'-P energy: -74.098
tors. eta vs tors. theta energy: -173.437
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1895.344998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.344998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.344998 (E_RNA)
where:
Base-Base interactions energy: -1261.241
where: short stacking energy: -566.214
Base-Backbone interact. energy: -1.118
local terms energy: -632.985972
where:
bonds (distance) C4'-P energy: -112.983
bonds (distance) P-C4' energy: -127.609
flat angles C4'-P-C4' energy: -141.738
flat angles P-C4'-P energy: -92.147
tors. eta vs tors. theta energy: -158.509
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: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1927.199879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.199879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.199879 (E_RNA)
where:
Base-Base interactions energy: -1312.491
where: short stacking energy: -580.004
Base-Backbone interact. energy: 6.255
local terms energy: -620.964249
where:
bonds (distance) C4'-P energy: -123.949
bonds (distance) P-C4' energy: -122.361
flat angles C4'-P-C4' energy: -126.368
flat angles P-C4'-P energy: -100.412
tors. eta vs tors. theta energy: -147.875
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: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1682.336231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.336231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.336231 (E_RNA)
where:
Base-Base interactions energy: -1119.269
where: short stacking energy: -521.104
Base-Backbone interact. energy: -2.389
local terms energy: -560.678516
where:
bonds (distance) C4'-P energy: -120.093
bonds (distance) P-C4' energy: -117.861
flat angles C4'-P-C4' energy: -117.913
flat angles P-C4'-P energy: -67.978
tors. eta vs tors. theta energy: -136.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1428.014280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.014280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.014280 (E_RNA)
where:
Base-Base interactions energy: -937.643
where: short stacking energy: -429.975
Base-Backbone interact. energy: -1.701
local terms energy: -488.669699
where:
bonds (distance) C4'-P energy: -99.366
bonds (distance) P-C4' energy: -108.017
flat angles C4'-P-C4' energy: -108.224
flat angles P-C4'-P energy: -78.542
tors. eta vs tors. theta energy: -94.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1242.745553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.745553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.745553 (E_RNA)
where:
Base-Base interactions energy: -772.057
where: short stacking energy: -333.918
Base-Backbone interact. energy: 0.026
local terms energy: -470.714582
where:
bonds (distance) C4'-P energy: -104.861
bonds (distance) P-C4' energy: -125.323
flat angles C4'-P-C4' energy: -113.668
flat angles P-C4'-P energy: -66.517
tors. eta vs tors. theta energy: -60.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -865.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.685688 (E_RNA)
where:
Base-Base interactions energy: -476.827
where: short stacking energy: -252.265
Base-Backbone interact. energy: 4.798
local terms energy: -393.656735
where:
bonds (distance) C4'-P energy: -91.684
bonds (distance) P-C4' energy: -104.561
flat angles C4'-P-C4' energy: -106.834
flat angles P-C4'-P energy: -61.722
tors. eta vs tors. theta energy: -28.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -562.304268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.304268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.304268 (E_RNA)
where:
Base-Base interactions energy: -246.198
where: short stacking energy: -173.167
Base-Backbone interact. energy: 2.688
local terms energy: -318.794941
where:
bonds (distance) C4'-P energy: -96.126
bonds (distance) P-C4' energy: -109.292
flat angles C4'-P-C4' energy: -76.315
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: 4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2339.877580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.877580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.877580 (E_RNA)
where:
Base-Base interactions energy: -1654.874
where: short stacking energy: -696.128
Base-Backbone interact. energy: -6.154
local terms energy: -678.849838
where:
bonds (distance) C4'-P energy: -111.611
bonds (distance) P-C4' energy: -134.799
flat angles C4'-P-C4' energy: -146.497
flat angles P-C4'-P energy: -87.290
tors. eta vs tors. theta energy: -198.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2187.235608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.235608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.235608 (E_RNA)
where:
Base-Base interactions energy: -1486.184
where: short stacking energy: -658.033
Base-Backbone interact. energy: -3.817
local terms energy: -697.235272
where:
bonds (distance) C4'-P energy: -127.382
bonds (distance) P-C4' energy: -143.293
flat angles C4'-P-C4' energy: -142.613
flat angles P-C4'-P energy: -98.645
tors. eta vs tors. theta energy: -185.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2123.844121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.844121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.844121 (E_RNA)
where:
Base-Base interactions energy: -1494.023
where: short stacking energy: -608.970
Base-Backbone interact. energy: -0.812
local terms energy: -629.008972
where:
bonds (distance) C4'-P energy: -121.804
bonds (distance) P-C4' energy: -120.034
flat angles C4'-P-C4' energy: -139.146
flat angles P-C4'-P energy: -95.947
tors. eta vs tors. theta energy: -152.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2046.669643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.669643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.669643 (E_RNA)
where:
Base-Base interactions energy: -1394.276
where: short stacking energy: -588.771
Base-Backbone interact. energy: -0.887
local terms energy: -651.507486
where:
bonds (distance) C4'-P energy: -123.703
bonds (distance) P-C4' energy: -121.713
flat angles C4'-P-C4' energy: -146.677
flat angles P-C4'-P energy: -91.750
tors. eta vs tors. theta energy: -167.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1847.231954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.231954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.231954 (E_RNA)
where:
Base-Base interactions energy: -1249.468
where: short stacking energy: -550.812
Base-Backbone interact. energy: 2.120
local terms energy: -599.883995
where:
bonds (distance) C4'-P energy: -113.509
bonds (distance) P-C4' energy: -114.139
flat angles C4'-P-C4' energy: -143.863
flat angles P-C4'-P energy: -91.079
tors. eta vs tors. theta energy: -137.294
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: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1678.775055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.775055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.775055 (E_RNA)
where:
Base-Base interactions energy: -1125.435
where: short stacking energy: -514.765
Base-Backbone interact. energy: -0.975
local terms energy: -552.365268
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -113.362
flat angles C4'-P-C4' energy: -134.809
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -120.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1510.476871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.476871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.476871 (E_RNA)
where:
Base-Base interactions energy: -983.747
where: short stacking energy: -436.645
Base-Backbone interact. energy: -4.197
local terms energy: -522.532656
where:
bonds (distance) C4'-P energy: -106.691
bonds (distance) P-C4' energy: -112.024
flat angles C4'-P-C4' energy: -122.276
flat angles P-C4'-P energy: -71.630
tors. eta vs tors. theta energy: -109.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1185.025752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.025752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.025752 (E_RNA)
where:
Base-Base interactions energy: -729.649
where: short stacking energy: -344.063
Base-Backbone interact. energy: 5.815
local terms energy: -461.192123
where:
bonds (distance) C4'-P energy: -102.343
bonds (distance) P-C4' energy: -107.249
flat angles C4'-P-C4' energy: -109.115
flat angles P-C4'-P energy: -64.885
tors. eta vs tors. theta energy: -77.600
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: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -838.712232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.712232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.712232 (E_RNA)
where:
Base-Base interactions energy: -464.490
where: short stacking energy: -234.402
Base-Backbone interact. energy: 0.565
local terms energy: -374.786984
where:
bonds (distance) C4'-P energy: -94.625
bonds (distance) P-C4' energy: -114.252
flat angles C4'-P-C4' energy: -87.627
flat angles P-C4'-P energy: -53.861
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -598.056211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.056211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.056211 (E_RNA)
where:
Base-Base interactions energy: -262.798
where: short stacking energy: -168.896
Base-Backbone interact. energy: 2.861
local terms energy: -338.120031
where:
bonds (distance) C4'-P energy: -105.487
bonds (distance) P-C4' energy: -104.807
flat angles C4'-P-C4' energy: -81.410
flat angles P-C4'-P energy: -52.805
tors. eta vs tors. theta energy: 6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2313.602220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.602220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.602220 (E_RNA)
where:
Base-Base interactions energy: -1617.407
where: short stacking energy: -661.081
Base-Backbone interact. energy: -2.277
local terms energy: -693.918496
where:
bonds (distance) C4'-P energy: -129.569
bonds (distance) P-C4' energy: -132.065
flat angles C4'-P-C4' energy: -137.027
flat angles P-C4'-P energy: -100.646
tors. eta vs tors. theta energy: -194.612
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: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2191.850499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.850499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.850499 (E_RNA)
where:
Base-Base interactions energy: -1490.360
where: short stacking energy: -629.352
Base-Backbone interact. energy: -2.699
local terms energy: -698.790838
where:
bonds (distance) C4'-P energy: -131.235
bonds (distance) P-C4' energy: -144.773
flat angles C4'-P-C4' energy: -137.103
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -188.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2133.015125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.015125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.015125 (E_RNA)
where:
Base-Base interactions energy: -1476.452
where: short stacking energy: -596.143
Base-Backbone interact. energy: -1.073
local terms energy: -655.490266
where:
bonds (distance) C4'-P energy: -128.906
bonds (distance) P-C4' energy: -123.620
flat angles C4'-P-C4' energy: -142.540
flat angles P-C4'-P energy: -93.037
tors. eta vs tors. theta energy: -167.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2043.367149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.367149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.367149 (E_RNA)
where:
Base-Base interactions energy: -1412.207
where: short stacking energy: -612.525
Base-Backbone interact. energy: 0.500
local terms energy: -631.659607
where:
bonds (distance) C4'-P energy: -114.841
bonds (distance) P-C4' energy: -111.661
flat angles C4'-P-C4' energy: -142.963
flat angles P-C4'-P energy: -85.853
tors. eta vs tors. theta energy: -176.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1853.460026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.460026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.460026 (E_RNA)
where:
Base-Base interactions energy: -1265.819
where: short stacking energy: -530.438
Base-Backbone interact. energy: -2.939
local terms energy: -584.701290
where:
bonds (distance) C4'-P energy: -104.997
bonds (distance) P-C4' energy: -114.860
flat angles C4'-P-C4' energy: -140.431
flat angles P-C4'-P energy: -78.835
tors. eta vs tors. theta energy: -145.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1712.395337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.395337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.395337 (E_RNA)
where:
Base-Base interactions energy: -1159.846
where: short stacking energy: -476.532
Base-Backbone interact. energy: -3.581
local terms energy: -548.968840
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -124.722
flat angles C4'-P-C4' energy: -126.283
flat angles P-C4'-P energy: -84.272
tors. eta vs tors. theta energy: -115.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1455.920432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.920432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.920432 (E_RNA)
where:
Base-Base interactions energy: -942.535
where: short stacking energy: -432.513
Base-Backbone interact. energy: -1.677
local terms energy: -511.708415
where:
bonds (distance) C4'-P energy: -105.313
bonds (distance) P-C4' energy: -119.693
flat angles C4'-P-C4' energy: -111.673
flat angles P-C4'-P energy: -66.557
tors. eta vs tors. theta energy: -108.473
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: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1183.322237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.322237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.322237 (E_RNA)
where:
Base-Base interactions energy: -720.803
where: short stacking energy: -349.894
Base-Backbone interact. energy: 4.582
local terms energy: -467.101770
where:
bonds (distance) C4'-P energy: -104.612
bonds (distance) P-C4' energy: -105.781
flat angles C4'-P-C4' energy: -110.053
flat angles P-C4'-P energy: -75.366
tors. eta vs tors. theta energy: -71.289
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: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -826.590726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.590726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.590726 (E_RNA)
where:
Base-Base interactions energy: -415.151
where: short stacking energy: -237.646
Base-Backbone interact. energy: -2.204
local terms energy: -409.235732
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -119.335
flat angles C4'-P-C4' energy: -102.642
flat angles P-C4'-P energy: -57.680
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -557.355029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.355029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.355029 (E_RNA)
where:
Base-Base interactions energy: -210.978
where: short stacking energy: -167.181
Base-Backbone interact. energy: 1.800
local terms energy: -348.177870
where:
bonds (distance) C4'-P energy: -113.106
bonds (distance) P-C4' energy: -96.936
flat angles C4'-P-C4' energy: -101.982
flat angles P-C4'-P energy: -58.782
tors. eta vs tors. theta energy: 22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2324.106985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.106985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.106985 (E_RNA)
where:
Base-Base interactions energy: -1624.908
where: short stacking energy: -653.780
Base-Backbone interact. energy: -3.329
local terms energy: -695.870041
where:
bonds (distance) C4'-P energy: -143.609
bonds (distance) P-C4' energy: -128.191
flat angles C4'-P-C4' energy: -149.562
flat angles P-C4'-P energy: -92.261
tors. eta vs tors. theta energy: -182.247
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: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2147.633248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.633248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.633248 (E_RNA)
where:
Base-Base interactions energy: -1470.977
where: short stacking energy: -634.920
Base-Backbone interact. energy: 2.697
local terms energy: -679.352897
where:
bonds (distance) C4'-P energy: -133.566
bonds (distance) P-C4' energy: -126.994
flat angles C4'-P-C4' energy: -143.819
flat angles P-C4'-P energy: -91.744
tors. eta vs tors. theta energy: -183.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2087.645677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.645677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.645677 (E_RNA)
where:
Base-Base interactions energy: -1464.510
where: short stacking energy: -591.972
Base-Backbone interact. energy: -3.341
local terms energy: -619.794102
where:
bonds (distance) C4'-P energy: -116.206
bonds (distance) P-C4' energy: -112.106
flat angles C4'-P-C4' energy: -148.238
flat angles P-C4'-P energy: -82.953
tors. eta vs tors. theta energy: -160.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2005.057375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.057375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.057375 (E_RNA)
where:
Base-Base interactions energy: -1377.516
where: short stacking energy: -586.836
Base-Backbone interact. energy: -3.182
local terms energy: -624.358658
where:
bonds (distance) C4'-P energy: -119.596
bonds (distance) P-C4' energy: -111.572
flat angles C4'-P-C4' energy: -139.672
flat angles P-C4'-P energy: -88.378
tors. eta vs tors. theta energy: -165.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1860.629862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.629862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.629862 (E_RNA)
where:
Base-Base interactions energy: -1274.644
where: short stacking energy: -539.296
Base-Backbone interact. energy: 0.735
local terms energy: -586.719902
where:
bonds (distance) C4'-P energy: -120.218
bonds (distance) P-C4' energy: -111.924
flat angles C4'-P-C4' energy: -134.381
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -145.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1763.777402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.777402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.777402 (E_RNA)
where:
Base-Base interactions energy: -1232.987
where: short stacking energy: -521.556
Base-Backbone interact. energy: 4.759
local terms energy: -535.549642
where:
bonds (distance) C4'-P energy: -91.764
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -135.170
flat angles P-C4'-P energy: -76.794
tors. eta vs tors. theta energy: -137.681
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: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1441.958180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.958180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.958180 (E_RNA)
where:
Base-Base interactions energy: -911.682
where: short stacking energy: -408.042
Base-Backbone interact. energy: -2.303
local terms energy: -527.972853
where:
bonds (distance) C4'-P energy: -110.451
bonds (distance) P-C4' energy: -128.774
flat angles C4'-P-C4' energy: -112.218
flat angles P-C4'-P energy: -82.447
tors. eta vs tors. theta energy: -94.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1106.630730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.630730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.630730 (E_RNA)
where:
Base-Base interactions energy: -658.673
where: short stacking energy: -317.013
Base-Backbone interact. energy: -3.150
local terms energy: -444.807843
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -111.307
flat angles C4'-P-C4' energy: -114.125
flat angles P-C4'-P energy: -67.525
tors. eta vs tors. theta energy: -50.937
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: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -806.679377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.679377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.679377 (E_RNA)
where:
Base-Base interactions energy: -437.563
where: short stacking energy: -251.989
Base-Backbone interact. energy: -1.993
local terms energy: -367.123990
where:
bonds (distance) C4'-P energy: -85.636
bonds (distance) P-C4' energy: -113.035
flat angles C4'-P-C4' energy: -99.706
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -20.351
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: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -598.459411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.459411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.459411 (E_RNA)
where:
Base-Base interactions energy: -255.413
where: short stacking energy: -181.840
Base-Backbone interact. energy: 0.636
local terms energy: -343.681586
where:
bonds (distance) C4'-P energy: -88.884
bonds (distance) P-C4' energy: -104.479
flat angles C4'-P-C4' energy: -94.598
flat angles P-C4'-P energy: -55.358
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2331.296086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.296086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.296086 (E_RNA)
where:
Base-Base interactions energy: -1636.226
where: short stacking energy: -661.843
Base-Backbone interact. energy: 1.711
local terms energy: -696.781254
where:
bonds (distance) C4'-P energy: -129.642
bonds (distance) P-C4' energy: -138.521
flat angles C4'-P-C4' energy: -143.739
flat angles P-C4'-P energy: -96.363
tors. eta vs tors. theta energy: -188.517
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: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2165.397198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.397198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.397198 (E_RNA)
where:
Base-Base interactions energy: -1491.835
where: short stacking energy: -615.596
Base-Backbone interact. energy: -7.238
local terms energy: -666.323734
where:
bonds (distance) C4'-P energy: -118.696
bonds (distance) P-C4' energy: -121.047
flat angles C4'-P-C4' energy: -143.093
flat angles P-C4'-P energy: -96.484
tors. eta vs tors. theta energy: -187.003
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: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2101.891419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.891419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.891419 (E_RNA)
where:
Base-Base interactions energy: -1479.317
where: short stacking energy: -592.555
Base-Backbone interact. energy: -0.044
local terms energy: -622.530313
where:
bonds (distance) C4'-P energy: -106.500
bonds (distance) P-C4' energy: -132.642
flat angles C4'-P-C4' energy: -140.210
flat angles P-C4'-P energy: -84.778
tors. eta vs tors. theta energy: -158.401
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: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2021.437275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.437275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.437275 (E_RNA)
where:
Base-Base interactions energy: -1394.298
where: short stacking energy: -614.893
Base-Backbone interact. energy: -3.621
local terms energy: -623.518137
where:
bonds (distance) C4'-P energy: -112.550
bonds (distance) P-C4' energy: -118.605
flat angles C4'-P-C4' energy: -122.107
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -165.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1844.921782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.921782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.921782 (E_RNA)
where:
Base-Base interactions energy: -1245.089
where: short stacking energy: -545.614
Base-Backbone interact. energy: -0.319
local terms energy: -599.513498
where:
bonds (distance) C4'-P energy: -125.806
bonds (distance) P-C4' energy: -115.988
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -73.525
tors. eta vs tors. theta energy: -153.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1762.200221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.200221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.200221 (E_RNA)
where:
Base-Base interactions energy: -1188.919
where: short stacking energy: -501.291
Base-Backbone interact. energy: -2.821
local terms energy: -570.460922
where:
bonds (distance) C4'-P energy: -108.858
bonds (distance) P-C4' energy: -99.545
flat angles C4'-P-C4' energy: -126.986
flat angles P-C4'-P energy: -99.594
tors. eta vs tors. theta energy: -135.478
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: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1447.525798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.525798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.525798 (E_RNA)
where:
Base-Base interactions energy: -940.364
where: short stacking energy: -413.688
Base-Backbone interact. energy: -0.752
local terms energy: -506.409016
where:
bonds (distance) C4'-P energy: -107.672
bonds (distance) P-C4' energy: -121.222
flat angles C4'-P-C4' energy: -120.210
flat angles P-C4'-P energy: -67.086
tors. eta vs tors. theta energy: -90.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1119.408622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.408622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.408622 (E_RNA)
where:
Base-Base interactions energy: -641.398
where: short stacking energy: -303.287
Base-Backbone interact. energy: 3.152
local terms energy: -481.162895
where:
bonds (distance) C4'-P energy: -124.294
bonds (distance) P-C4' energy: -122.235
flat angles C4'-P-C4' energy: -108.890
flat angles P-C4'-P energy: -86.138
tors. eta vs tors. theta energy: -39.606
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: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -822.936725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.936725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.936725 (E_RNA)
where:
Base-Base interactions energy: -412.679
where: short stacking energy: -217.339
Base-Backbone interact. energy: -0.835
local terms energy: -409.423309
where:
bonds (distance) C4'-P energy: -98.749
bonds (distance) P-C4' energy: -113.101
flat angles C4'-P-C4' energy: -120.908
flat angles P-C4'-P energy: -75.708
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -570.957927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.957927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.957927 (E_RNA)
where:
Base-Base interactions energy: -224.354
where: short stacking energy: -153.738
Base-Backbone interact. energy: 4.959
local terms energy: -351.562194
where:
bonds (distance) C4'-P energy: -106.802
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -88.790
flat angles P-C4'-P energy: -64.124
tors. eta vs tors. theta energy: 13.238
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: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2316.611483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.611483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.611483 (E_RNA)
where:
Base-Base interactions energy: -1612.248
where: short stacking energy: -630.079
Base-Backbone interact. energy: -2.559
local terms energy: -701.804370
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -125.141
flat angles C4'-P-C4' energy: -155.032
flat angles P-C4'-P energy: -110.393
tors. eta vs tors. theta energy: -180.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2176.401837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.401837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.401837 (E_RNA)
where:
Base-Base interactions energy: -1488.683
where: short stacking energy: -627.928
Base-Backbone interact. energy: -4.668
local terms energy: -683.050415
where:
bonds (distance) C4'-P energy: -128.169
bonds (distance) P-C4' energy: -127.828
flat angles C4'-P-C4' energy: -150.071
flat angles P-C4'-P energy: -91.758
tors. eta vs tors. theta energy: -185.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2106.142306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.142306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.142306 (E_RNA)
where:
Base-Base interactions energy: -1461.006
where: short stacking energy: -582.696
Base-Backbone interact. energy: -4.219
local terms energy: -640.916891
where:
bonds (distance) C4'-P energy: -120.571
bonds (distance) P-C4' energy: -124.547
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -150.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1969.981706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.981706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.981706 (E_RNA)
where:
Base-Base interactions energy: -1350.939
where: short stacking energy: -578.662
Base-Backbone interact. energy: -1.111
local terms energy: -617.932236
where:
bonds (distance) C4'-P energy: -112.564
bonds (distance) P-C4' energy: -106.665
flat angles C4'-P-C4' energy: -140.718
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -169.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1834.006988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.006988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.006988 (E_RNA)
where:
Base-Base interactions energy: -1232.401
where: short stacking energy: -554.119
Base-Backbone interact. energy: -1.563
local terms energy: -600.042208
where:
bonds (distance) C4'-P energy: -88.816
bonds (distance) P-C4' energy: -135.209
flat angles C4'-P-C4' energy: -139.398
flat angles P-C4'-P energy: -93.980
tors. eta vs tors. theta energy: -142.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1712.493933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.493933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.493933 (E_RNA)
where:
Base-Base interactions energy: -1164.555
where: short stacking energy: -469.002
Base-Backbone interact. energy: -1.818
local terms energy: -546.121149
where:
bonds (distance) C4'-P energy: -118.259
bonds (distance) P-C4' energy: -125.813
flat angles C4'-P-C4' energy: -120.350
flat angles P-C4'-P energy: -62.801
tors. eta vs tors. theta energy: -118.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1546.632918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.632918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.632918 (E_RNA)
where:
Base-Base interactions energy: -1013.020
where: short stacking energy: -435.513
Base-Backbone interact. energy: -0.340
local terms energy: -533.273299
where:
bonds (distance) C4'-P energy: -118.376
bonds (distance) P-C4' energy: -115.699
flat angles C4'-P-C4' energy: -106.335
flat angles P-C4'-P energy: -77.641
tors. eta vs tors. theta energy: -115.222
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: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1142.123537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.123537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.123537 (E_RNA)
where:
Base-Base interactions energy: -694.037
where: short stacking energy: -334.414
Base-Backbone interact. energy: 1.957
local terms energy: -450.043479
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -113.891
flat angles C4'-P-C4' energy: -96.140
flat angles P-C4'-P energy: -71.237
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: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -778.986299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.986299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.986299 (E_RNA)
where:
Base-Base interactions energy: -391.488
where: short stacking energy: -215.438
Base-Backbone interact. energy: -3.723
local terms energy: -383.774534
where:
bonds (distance) C4'-P energy: -97.370
bonds (distance) P-C4' energy: -107.598
flat angles C4'-P-C4' energy: -116.542
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -637.172643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.172643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.172643 (E_RNA)
where:
Base-Base interactions energy: -261.294
where: short stacking energy: -140.195
Base-Backbone interact. energy: 0.244
local terms energy: -376.121950
where:
bonds (distance) C4'-P energy: -107.950
bonds (distance) P-C4' energy: -116.759
flat angles C4'-P-C4' energy: -79.949
flat angles P-C4'-P energy: -73.768
tors. eta vs tors. theta energy: 2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2319.568881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.568881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.568881 (E_RNA)
where:
Base-Base interactions energy: -1591.597
where: short stacking energy: -653.651
Base-Backbone interact. energy: -3.466
local terms energy: -724.506268
where:
bonds (distance) C4'-P energy: -140.562
bonds (distance) P-C4' energy: -147.213
flat angles C4'-P-C4' energy: -149.348
flat angles P-C4'-P energy: -106.321
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: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2171.229492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.229492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.229492 (E_RNA)
where:
Base-Base interactions energy: -1480.212
where: short stacking energy: -640.991
Base-Backbone interact. energy: -4.598
local terms energy: -686.419705
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -149.228
flat angles C4'-P-C4' energy: -139.852
flat angles P-C4'-P energy: -93.896
tors. eta vs tors. theta energy: -179.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2105.936502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.936502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.936502 (E_RNA)
where:
Base-Base interactions energy: -1446.649
where: short stacking energy: -581.853
Base-Backbone interact. energy: -3.250
local terms energy: -656.038394
where:
bonds (distance) C4'-P energy: -140.914
bonds (distance) P-C4' energy: -130.736
flat angles C4'-P-C4' energy: -141.776
flat angles P-C4'-P energy: -94.050
tors. eta vs tors. theta energy: -148.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2080.972299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.972299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.972299 (E_RNA)
where:
Base-Base interactions energy: -1418.865
where: short stacking energy: -641.138
Base-Backbone interact. energy: -1.516
local terms energy: -660.591380
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -117.745
flat angles C4'-P-C4' energy: -145.755
flat angles P-C4'-P energy: -91.769
tors. eta vs tors. theta energy: -190.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1811.761770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.761770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.761770 (E_RNA)
where:
Base-Base interactions energy: -1258.425
where: short stacking energy: -528.710
Base-Backbone interact. energy: -3.170
local terms energy: -550.167069
where:
bonds (distance) C4'-P energy: -103.830
bonds (distance) P-C4' energy: -111.884
flat angles C4'-P-C4' energy: -118.966
flat angles P-C4'-P energy: -83.908
tors. eta vs tors. theta energy: -131.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1705.456102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.456102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.456102 (E_RNA)
where:
Base-Base interactions energy: -1149.562
where: short stacking energy: -476.036
Base-Backbone interact. energy: -2.430
local terms energy: -553.464017
where:
bonds (distance) C4'-P energy: -106.892
bonds (distance) P-C4' energy: -123.210
flat angles C4'-P-C4' energy: -130.340
flat angles P-C4'-P energy: -70.576
tors. eta vs tors. theta energy: -122.446
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: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1523.281985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.281985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.281985 (E_RNA)
where:
Base-Base interactions energy: -1029.008
where: short stacking energy: -475.698
Base-Backbone interact. energy: -2.164
local terms energy: -492.110497
where:
bonds (distance) C4'-P energy: -93.510
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -115.839
flat angles P-C4'-P energy: -81.195
tors. eta vs tors. theta energy: -106.224
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: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1106.140387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.140387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.140387 (E_RNA)
where:
Base-Base interactions energy: -631.335
where: short stacking energy: -327.643
Base-Backbone interact. energy: -0.876
local terms energy: -473.929037
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -112.409
flat angles C4'-P-C4' energy: -129.246
flat angles P-C4'-P energy: -74.555
tors. eta vs tors. theta energy: -57.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -850.823411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.823411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.823411 (E_RNA)
where:
Base-Base interactions energy: -439.669
where: short stacking energy: -244.382
Base-Backbone interact. energy: 4.005
local terms energy: -415.159938
where:
bonds (distance) C4'-P energy: -101.066
bonds (distance) P-C4' energy: -122.402
flat angles C4'-P-C4' energy: -101.284
flat angles P-C4'-P energy: -78.885
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -609.244139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.244139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.244139 (E_RNA)
where:
Base-Base interactions energy: -257.463
where: short stacking energy: -155.701
Base-Backbone interact. energy: 5.495
local terms energy: -357.275653
where:
bonds (distance) C4'-P energy: -113.367
bonds (distance) P-C4' energy: -111.206
flat angles C4'-P-C4' energy: -93.061
flat angles P-C4'-P energy: -58.928
tors. eta vs tors. theta energy: 19.286
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: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2308.724583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.724583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.724583 (E_RNA)
where:
Base-Base interactions energy: -1616.591
where: short stacking energy: -658.445
Base-Backbone interact. energy: -2.600
local terms energy: -689.534061
where:
bonds (distance) C4'-P energy: -127.028
bonds (distance) P-C4' energy: -135.037
flat angles C4'-P-C4' energy: -138.039
flat angles P-C4'-P energy: -103.361
tors. eta vs tors. theta energy: -186.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2194.050273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.050273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.050273 (E_RNA)
where:
Base-Base interactions energy: -1489.958
where: short stacking energy: -643.843
Base-Backbone interact. energy: -5.763
local terms energy: -698.328773
where:
bonds (distance) C4'-P energy: -132.405
bonds (distance) P-C4' energy: -146.759
flat angles C4'-P-C4' energy: -147.799
flat angles P-C4'-P energy: -88.889
tors. eta vs tors. theta energy: -182.477
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: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2098.385901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.385901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.385901 (E_RNA)
where:
Base-Base interactions energy: -1436.531
where: short stacking energy: -569.985
Base-Backbone interact. energy: -3.300
local terms energy: -658.555679
where:
bonds (distance) C4'-P energy: -134.007
bonds (distance) P-C4' energy: -125.845
flat angles C4'-P-C4' energy: -146.432
flat angles P-C4'-P energy: -89.084
tors. eta vs tors. theta energy: -163.188
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: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2034.118971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.118971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.118971 (E_RNA)
where:
Base-Base interactions energy: -1400.779
where: short stacking energy: -617.342
Base-Backbone interact. energy: 0.698
local terms energy: -634.038272
where:
bonds (distance) C4'-P energy: -125.022
bonds (distance) P-C4' energy: -128.210
flat angles C4'-P-C4' energy: -139.913
flat angles P-C4'-P energy: -82.599
tors. eta vs tors. theta energy: -158.295
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: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1807.682637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.682637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.682637 (E_RNA)
where:
Base-Base interactions energy: -1222.334
where: short stacking energy: -539.374
Base-Backbone interact. energy: 1.985
local terms energy: -587.333465
where:
bonds (distance) C4'-P energy: -108.976
bonds (distance) P-C4' energy: -112.364
flat angles C4'-P-C4' energy: -133.925
flat angles P-C4'-P energy: -88.170
tors. eta vs tors. theta energy: -143.898
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: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1766.486754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.486754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.486754 (E_RNA)
where:
Base-Base interactions energy: -1185.148
where: short stacking energy: -504.260
Base-Backbone interact. energy: 0.629
local terms energy: -581.967512
where:
bonds (distance) C4'-P energy: -100.854
bonds (distance) P-C4' energy: -119.755
flat angles C4'-P-C4' energy: -140.600
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -132.117
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: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1511.776798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.776798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.776798 (E_RNA)
where:
Base-Base interactions energy: -976.726
where: short stacking energy: -444.078
Base-Backbone interact. energy: -3.559
local terms energy: -531.491265
where:
bonds (distance) C4'-P energy: -111.255
bonds (distance) P-C4' energy: -107.725
flat angles C4'-P-C4' energy: -125.531
flat angles P-C4'-P energy: -73.342
tors. eta vs tors. theta energy: -113.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -997.719006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.719006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.719006 (E_RNA)
where:
Base-Base interactions energy: -561.468
where: short stacking energy: -271.946
Base-Backbone interact. energy: -0.391
local terms energy: -435.860835
where:
bonds (distance) C4'-P energy: -129.060
bonds (distance) P-C4' energy: -123.124
flat angles C4'-P-C4' energy: -95.399
flat angles P-C4'-P energy: -57.364
tors. eta vs tors. theta energy: -30.914
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -872.923823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.923823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.923823 (E_RNA)
where:
Base-Base interactions energy: -495.248
where: short stacking energy: -237.462
Base-Backbone interact. energy: -2.820
local terms energy: -374.856421
where:
bonds (distance) C4'-P energy: -95.181
bonds (distance) P-C4' energy: -120.474
flat angles C4'-P-C4' energy: -93.477
flat angles P-C4'-P energy: -67.042
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -660.935347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.935347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.935347 (E_RNA)
where:
Base-Base interactions energy: -336.586
where: short stacking energy: -175.552
Base-Backbone interact. energy: 9.018
local terms energy: -333.366750
where:
bonds (distance) C4'-P energy: -97.018
bonds (distance) P-C4' energy: -109.183
flat angles C4'-P-C4' energy: -97.923
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: 14.553
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: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2288.257344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.257344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.257344 (E_RNA)
where:
Base-Base interactions energy: -1600.061
where: short stacking energy: -654.373
Base-Backbone interact. energy: -4.667
local terms energy: -683.529112
where:
bonds (distance) C4'-P energy: -120.722
bonds (distance) P-C4' energy: -129.741
flat angles C4'-P-C4' energy: -142.608
flat angles P-C4'-P energy: -111.651
tors. eta vs tors. theta energy: -178.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2141.600706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.600706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.600706 (E_RNA)
where:
Base-Base interactions energy: -1495.203
where: short stacking energy: -631.026
Base-Backbone interact. energy: -7.984
local terms energy: -638.414269
where:
bonds (distance) C4'-P energy: -104.094
bonds (distance) P-C4' energy: -126.972
flat angles C4'-P-C4' energy: -140.172
flat angles P-C4'-P energy: -97.231
tors. eta vs tors. theta energy: -169.945
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: 182
Temperature: 1.000000
Total energy: -2101.511949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.511949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.511949 (E_RNA)
where:
Base-Base interactions energy: -1470.510
where: short stacking energy: -606.120
Base-Backbone interact. energy: -3.117
local terms energy: -627.884930
where:
bonds (distance) C4'-P energy: -124.020
bonds (distance) P-C4' energy: -116.448
flat angles C4'-P-C4' energy: -126.484
flat angles P-C4'-P energy: -101.972
tors. eta vs tors. theta energy: -158.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2055.281604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.281604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.281604 (E_RNA)
where:
Base-Base interactions energy: -1398.034
where: short stacking energy: -633.697
Base-Backbone interact. energy: -4.322
local terms energy: -652.926186
where:
bonds (distance) C4'-P energy: -119.046
bonds (distance) P-C4' energy: -130.431
flat angles C4'-P-C4' energy: -135.430
flat angles P-C4'-P energy: -83.352
tors. eta vs tors. theta energy: -184.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1867.517472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.517472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.517472 (E_RNA)
where:
Base-Base interactions energy: -1249.988
where: short stacking energy: -575.909
Base-Backbone interact. energy: -3.438
local terms energy: -614.091760
where:
bonds (distance) C4'-P energy: -100.521
bonds (distance) P-C4' energy: -123.309
flat angles C4'-P-C4' energy: -141.704
flat angles P-C4'-P energy: -92.504
tors. eta vs tors. theta energy: -156.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1810.368715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.368715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.368715 (E_RNA)
where:
Base-Base interactions energy: -1244.360
where: short stacking energy: -547.367
Base-Backbone interact. energy: 0.535
local terms energy: -566.543657
where:
bonds (distance) C4'-P energy: -103.305
bonds (distance) P-C4' energy: -115.643
flat angles C4'-P-C4' energy: -113.531
flat angles P-C4'-P energy: -81.987
tors. eta vs tors. theta energy: -152.078
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: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1531.269356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.269356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.269356 (E_RNA)
where:
Base-Base interactions energy: -1007.544
where: short stacking energy: -459.202
Base-Backbone interact. energy: 4.456
local terms energy: -528.181325
where:
bonds (distance) C4'-P energy: -124.045
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -120.350
flat angles P-C4'-P energy: -65.328
tors. eta vs tors. theta energy: -103.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1031.693236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.693236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.693236 (E_RNA)
where:
Base-Base interactions energy: -604.700
where: short stacking energy: -330.167
Base-Backbone interact. energy: -4.655
local terms energy: -422.337659
where:
bonds (distance) C4'-P energy: -92.792
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -105.761
flat angles P-C4'-P energy: -63.373
tors. eta vs tors. theta energy: -47.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -862.159833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.159833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.159833 (E_RNA)
where:
Base-Base interactions energy: -480.102
where: short stacking energy: -264.181
Base-Backbone interact. energy: -1.749
local terms energy: -380.309407
where:
bonds (distance) C4'-P energy: -97.468
bonds (distance) P-C4' energy: -99.250
flat angles C4'-P-C4' energy: -113.952
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -640.480920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.480920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.480920 (E_RNA)
where:
Base-Base interactions energy: -307.735
where: short stacking energy: -168.938
Base-Backbone interact. energy: 1.454
local terms energy: -334.200474
where:
bonds (distance) C4'-P energy: -94.723
bonds (distance) P-C4' energy: -106.597
flat angles C4'-P-C4' energy: -96.245
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: 6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2315.985815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.985815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.985815 (E_RNA)
where:
Base-Base interactions energy: -1617.825
where: short stacking energy: -661.968
Base-Backbone interact. energy: -1.437
local terms energy: -696.723564
where:
bonds (distance) C4'-P energy: -129.257
bonds (distance) P-C4' energy: -129.740
flat angles C4'-P-C4' energy: -153.036
flat angles P-C4'-P energy: -101.980
tors. eta vs tors. theta energy: -182.710
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: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2174.328597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.328597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.328597 (E_RNA)
where:
Base-Base interactions energy: -1490.290
where: short stacking energy: -625.555
Base-Backbone interact. energy: -1.645
local terms energy: -682.393603
where:
bonds (distance) C4'-P energy: -131.316
bonds (distance) P-C4' energy: -125.379
flat angles C4'-P-C4' energy: -143.489
flat angles P-C4'-P energy: -98.876
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: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2085.655001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.655001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.655001 (E_RNA)
where:
Base-Base interactions energy: -1453.952
where: short stacking energy: -587.447
Base-Backbone interact. energy: -1.367
local terms energy: -630.336140
where:
bonds (distance) C4'-P energy: -118.360
bonds (distance) P-C4' energy: -123.070
flat angles C4'-P-C4' energy: -151.959
flat angles P-C4'-P energy: -95.976
tors. eta vs tors. theta energy: -140.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2023.414417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.414417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.414417 (E_RNA)
where:
Base-Base interactions energy: -1365.867
where: short stacking energy: -589.110
Base-Backbone interact. energy: -4.433
local terms energy: -653.114375
where:
bonds (distance) C4'-P energy: -123.505
bonds (distance) P-C4' energy: -110.158
flat angles C4'-P-C4' energy: -144.339
flat angles P-C4'-P energy: -101.740
tors. eta vs tors. theta energy: -173.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1846.294113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.294113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.294113 (E_RNA)
where:
Base-Base interactions energy: -1249.591
where: short stacking energy: -549.282
Base-Backbone interact. energy: -1.730
local terms energy: -594.972535
where:
bonds (distance) C4'-P energy: -102.362
bonds (distance) P-C4' energy: -120.144
flat angles C4'-P-C4' energy: -142.591
flat angles P-C4'-P energy: -85.847
tors. eta vs tors. theta energy: -144.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1804.706910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.706910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.706910 (E_RNA)
where:
Base-Base interactions energy: -1219.715
where: short stacking energy: -551.557
Base-Backbone interact. energy: -2.059
local terms energy: -582.932356
where:
bonds (distance) C4'-P energy: -100.789
bonds (distance) P-C4' energy: -109.494
flat angles C4'-P-C4' energy: -142.344
flat angles P-C4'-P energy: -83.814
tors. eta vs tors. theta energy: -146.490
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: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1585.983981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.983981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.983981 (E_RNA)
where:
Base-Base interactions energy: -1087.421
where: short stacking energy: -457.011
Base-Backbone interact. energy: -3.899
local terms energy: -494.664567
where:
bonds (distance) C4'-P energy: -106.281
bonds (distance) P-C4' energy: -105.276
flat angles C4'-P-C4' energy: -107.790
flat angles P-C4'-P energy: -80.944
tors. eta vs tors. theta energy: -94.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1064.008120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.008120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.008120 (E_RNA)
where:
Base-Base interactions energy: -644.070
where: short stacking energy: -345.617
Base-Backbone interact. energy: 5.462
local terms energy: -425.399765
where:
bonds (distance) C4'-P energy: -93.156
bonds (distance) P-C4' energy: -97.011
flat angles C4'-P-C4' energy: -108.566
flat angles P-C4'-P energy: -57.609
tors. eta vs tors. theta energy: -69.058
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: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -863.363124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.363124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.363124 (E_RNA)
where:
Base-Base interactions energy: -449.732
where: short stacking energy: -251.147
Base-Backbone interact. energy: -0.915
local terms energy: -412.716519
where:
bonds (distance) C4'-P energy: -112.242
bonds (distance) P-C4' energy: -122.602
flat angles C4'-P-C4' energy: -102.367
flat angles P-C4'-P energy: -57.761
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -666.900694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.900694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.900694 (E_RNA)
where:
Base-Base interactions energy: -323.409
where: short stacking energy: -174.706
Base-Backbone interact. energy: 1.171
local terms energy: -344.663172
where:
bonds (distance) C4'-P energy: -110.496
bonds (distance) P-C4' energy: -92.165
flat angles C4'-P-C4' energy: -81.481
flat angles P-C4'-P energy: -71.384
tors. eta vs tors. theta energy: 10.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2303.067279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.067279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.067279 (E_RNA)
where:
Base-Base interactions energy: -1605.625
where: short stacking energy: -652.576
Base-Backbone interact. energy: -3.102
local terms energy: -694.340487
where:
bonds (distance) C4'-P energy: -116.572
bonds (distance) P-C4' energy: -143.613
flat angles C4'-P-C4' energy: -152.061
flat angles P-C4'-P energy: -99.780
tors. eta vs tors. theta energy: -182.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2179.590966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.590966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.590966 (E_RNA)
where:
Base-Base interactions energy: -1489.634
where: short stacking energy: -638.092
Base-Backbone interact. energy: -1.806
local terms energy: -688.151371
where:
bonds (distance) C4'-P energy: -133.835
bonds (distance) P-C4' energy: -115.327
flat angles C4'-P-C4' energy: -153.121
flat angles P-C4'-P energy: -106.117
tors. eta vs tors. theta energy: -179.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2106.356610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.356610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.356610 (E_RNA)
where:
Base-Base interactions energy: -1448.229
where: short stacking energy: -588.890
Base-Backbone interact. energy: -3.004
local terms energy: -655.123462
where:
bonds (distance) C4'-P energy: -121.674
bonds (distance) P-C4' energy: -119.514
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -165.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2041.061095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.061095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.061095 (E_RNA)
where:
Base-Base interactions energy: -1366.764
where: short stacking energy: -580.267
Base-Backbone interact. energy: -3.193
local terms energy: -671.103686
where:
bonds (distance) C4'-P energy: -125.535
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -143.533
flat angles P-C4'-P energy: -98.490
tors. eta vs tors. theta energy: -180.821
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: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1846.939594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.939594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.939594 (E_RNA)
where:
Base-Base interactions energy: -1274.029
where: short stacking energy: -548.201
Base-Backbone interact. energy: -0.786
local terms energy: -572.124191
where:
bonds (distance) C4'-P energy: -104.556
bonds (distance) P-C4' energy: -114.236
flat angles C4'-P-C4' energy: -119.827
flat angles P-C4'-P energy: -85.110
tors. eta vs tors. theta energy: -148.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1774.333171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.333171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.333171 (E_RNA)
where:
Base-Base interactions energy: -1204.994
where: short stacking energy: -525.527
Base-Backbone interact. energy: -4.295
local terms energy: -565.043492
where:
bonds (distance) C4'-P energy: -109.128
bonds (distance) P-C4' energy: -115.091
flat angles C4'-P-C4' energy: -125.632
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -131.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1573.674712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.674712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.674712 (E_RNA)
where:
Base-Base interactions energy: -1049.805
where: short stacking energy: -484.001
Base-Backbone interact. energy: 4.386
local terms energy: -528.256030
where:
bonds (distance) C4'-P energy: -112.021
bonds (distance) P-C4' energy: -108.094
flat angles C4'-P-C4' energy: -126.984
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -118.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1081.643614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.643614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.643614 (E_RNA)
where:
Base-Base interactions energy: -613.665
where: short stacking energy: -339.928
Base-Backbone interact. energy: 2.705
local terms energy: -470.683230
where:
bonds (distance) C4'-P energy: -123.252
bonds (distance) P-C4' energy: -118.637
flat angles C4'-P-C4' energy: -89.610
flat angles P-C4'-P energy: -80.850
tors. eta vs tors. theta energy: -58.334
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: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -846.867775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.867775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.867775 (E_RNA)
where:
Base-Base interactions energy: -456.845
where: short stacking energy: -247.636
Base-Backbone interact. energy: 2.060
local terms energy: -392.081999
where:
bonds (distance) C4'-P energy: -103.676
bonds (distance) P-C4' energy: -116.864
flat angles C4'-P-C4' energy: -80.153
flat angles P-C4'-P energy: -54.124
tors. eta vs tors. theta energy: -37.264
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: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -602.058796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.058796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.058796 (E_RNA)
where:
Base-Base interactions energy: -261.536
where: short stacking energy: -153.343
Base-Backbone interact. energy: -0.348
local terms energy: -340.174681
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -110.807
flat angles C4'-P-C4' energy: -83.844
flat angles P-C4'-P energy: -44.191
tors. eta vs tors. theta energy: 8.523
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: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2329.947222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.947222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.947222 (E_RNA)
where:
Base-Base interactions energy: -1648.642
where: short stacking energy: -655.874
Base-Backbone interact. energy: -1.826
local terms energy: -679.478756
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -126.150
flat angles C4'-P-C4' energy: -146.710
flat angles P-C4'-P energy: -107.391
tors. eta vs tors. theta energy: -181.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2138.029770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.029770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.029770 (E_RNA)
where:
Base-Base interactions energy: -1493.130
where: short stacking energy: -597.541
Base-Backbone interact. energy: 3.706
local terms energy: -648.605590
where:
bonds (distance) C4'-P energy: -121.547
bonds (distance) P-C4' energy: -138.282
flat angles C4'-P-C4' energy: -144.347
flat angles P-C4'-P energy: -89.144
tors. eta vs tors. theta energy: -155.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2138.551245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.551245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.551245 (E_RNA)
where:
Base-Base interactions energy: -1462.118
where: short stacking energy: -633.126
Base-Backbone interact. energy: -0.470
local terms energy: -675.962486
where:
bonds (distance) C4'-P energy: -122.167
bonds (distance) P-C4' energy: -126.595
flat angles C4'-P-C4' energy: -151.628
flat angles P-C4'-P energy: -92.400
tors. eta vs tors. theta energy: -183.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2086.704776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.704776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.704776 (E_RNA)
where:
Base-Base interactions energy: -1445.571
where: short stacking energy: -621.528
Base-Backbone interact. energy: 1.247
local terms energy: -642.381153
where:
bonds (distance) C4'-P energy: -114.032
bonds (distance) P-C4' energy: -131.589
flat angles C4'-P-C4' energy: -142.223
flat angles P-C4'-P energy: -80.294
tors. eta vs tors. theta energy: -174.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1802.011490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.011490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.011490 (E_RNA)
where:
Base-Base interactions energy: -1208.147
where: short stacking energy: -507.595
Base-Backbone interact. energy: -0.630
local terms energy: -593.234028
where:
bonds (distance) C4'-P energy: -117.215
bonds (distance) P-C4' energy: -130.603
flat angles C4'-P-C4' energy: -124.907
flat angles P-C4'-P energy: -82.610
tors. eta vs tors. theta energy: -137.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1719.642419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.642419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.642419 (E_RNA)
where:
Base-Base interactions energy: -1163.427
where: short stacking energy: -486.988
Base-Backbone interact. energy: -0.779
local terms energy: -555.436061
where:
bonds (distance) C4'-P energy: -99.939
bonds (distance) P-C4' energy: -111.473
flat angles C4'-P-C4' energy: -134.033
flat angles P-C4'-P energy: -83.969
tors. eta vs tors. theta energy: -126.022
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: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1595.722702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.722702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.722702 (E_RNA)
where:
Base-Base interactions energy: -1073.819
where: short stacking energy: -448.818
Base-Backbone interact. energy: -0.421
local terms energy: -521.483433
where:
bonds (distance) C4'-P energy: -99.196
bonds (distance) P-C4' energy: -113.449
flat angles C4'-P-C4' energy: -123.254
flat angles P-C4'-P energy: -59.699
tors. eta vs tors. theta energy: -125.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1131.848312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.848312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.848312 (E_RNA)
where:
Base-Base interactions energy: -699.006
where: short stacking energy: -323.318
Base-Backbone interact. energy: 3.407
local terms energy: -436.249578
where:
bonds (distance) C4'-P energy: -100.890
bonds (distance) P-C4' energy: -111.257
flat angles C4'-P-C4' energy: -109.419
flat angles P-C4'-P energy: -68.077
tors. eta vs tors. theta energy: -46.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -822.171278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.171278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.171278 (E_RNA)
where:
Base-Base interactions energy: -447.928
where: short stacking energy: -231.245
Base-Backbone interact. energy: -0.970
local terms energy: -373.273255
where:
bonds (distance) C4'-P energy: -110.514
bonds (distance) P-C4' energy: -99.132
flat angles C4'-P-C4' energy: -89.135
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -10.076
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: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -591.631420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.631420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.631420 (E_RNA)
where:
Base-Base interactions energy: -241.628
where: short stacking energy: -164.167
Base-Backbone interact. energy: 2.369
local terms energy: -352.372210
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -119.568
flat angles C4'-P-C4' energy: -90.535
flat angles P-C4'-P energy: -62.101
tors. eta vs tors. theta energy: 19.396
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: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2337.743217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.743217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.743217 (E_RNA)
where:
Base-Base interactions energy: -1649.694
where: short stacking energy: -672.429
Base-Backbone interact. energy: 3.351
local terms energy: -691.400086
where:
bonds (distance) C4'-P energy: -129.756
bonds (distance) P-C4' energy: -134.619
flat angles C4'-P-C4' energy: -150.349
flat angles P-C4'-P energy: -96.994
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: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2175.736087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.736087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.736087 (E_RNA)
where:
Base-Base interactions energy: -1498.661
where: short stacking energy: -603.442
Base-Backbone interact. energy: -3.005
local terms energy: -674.069820
where:
bonds (distance) C4'-P energy: -131.833
bonds (distance) P-C4' energy: -134.245
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -97.207
tors. eta vs tors. theta energy: -165.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2155.487068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.487068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.487068 (E_RNA)
where:
Base-Base interactions energy: -1474.888
where: short stacking energy: -643.942
Base-Backbone interact. energy: -4.465
local terms energy: -676.134542
where:
bonds (distance) C4'-P energy: -118.022
bonds (distance) P-C4' energy: -123.590
flat angles C4'-P-C4' energy: -152.914
flat angles P-C4'-P energy: -98.811
tors. eta vs tors. theta energy: -182.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2074.671320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.671320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.671320 (E_RNA)
where:
Base-Base interactions energy: -1431.840
where: short stacking energy: -615.073
Base-Backbone interact. energy: -3.311
local terms energy: -639.520434
where:
bonds (distance) C4'-P energy: -114.699
bonds (distance) P-C4' energy: -106.300
flat angles C4'-P-C4' energy: -137.086
flat angles P-C4'-P energy: -107.291
tors. eta vs tors. theta energy: -174.145
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1831.489393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.489393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.489393 (E_RNA)
where:
Base-Base interactions energy: -1190.312
where: short stacking energy: -516.187
Base-Backbone interact. energy: -3.090
local terms energy: -638.087594
where:
bonds (distance) C4'-P energy: -132.078
bonds (distance) P-C4' energy: -114.779
flat angles C4'-P-C4' energy: -136.468
flat angles P-C4'-P energy: -96.673
tors. eta vs tors. theta energy: -158.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1689.913585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.913585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.913585 (E_RNA)
where:
Base-Base interactions energy: -1120.887
where: short stacking energy: -444.586
Base-Backbone interact. energy: -1.453
local terms energy: -567.574182
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -125.269
flat angles C4'-P-C4' energy: -131.849
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: -107.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1611.548998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.548998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.548998 (E_RNA)
where:
Base-Base interactions energy: -1055.391
where: short stacking energy: -460.054
Base-Backbone interact. energy: -1.042
local terms energy: -555.115979
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -117.490
flat angles C4'-P-C4' energy: -123.066
flat angles P-C4'-P energy: -81.218
tors. eta vs tors. theta energy: -117.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1182.362041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.362041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.362041 (E_RNA)
where:
Base-Base interactions energy: -743.266
where: short stacking energy: -362.145
Base-Backbone interact. energy: -0.787
local terms energy: -438.308875
where:
bonds (distance) C4'-P energy: -109.699
bonds (distance) P-C4' energy: -97.083
flat angles C4'-P-C4' energy: -100.251
flat angles P-C4'-P energy: -65.398
tors. eta vs tors. theta energy: -65.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -807.769040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.769040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.769040 (E_RNA)
where:
Base-Base interactions energy: -403.868
where: short stacking energy: -229.753
Base-Backbone interact. energy: -1.089
local terms energy: -402.812402
where:
bonds (distance) C4'-P energy: -106.428
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -110.197
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -550.335651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.335651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.335651 (E_RNA)
where:
Base-Base interactions energy: -201.294
where: short stacking energy: -153.699
Base-Backbone interact. energy: 1.413
local terms energy: -350.454756
where:
bonds (distance) C4'-P energy: -121.116
bonds (distance) P-C4' energy: -112.289
flat angles C4'-P-C4' energy: -84.823
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: 19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2320.236967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.236967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.236967 (E_RNA)
where:
Base-Base interactions energy: -1610.446
where: short stacking energy: -665.073
Base-Backbone interact. energy: 0.654
local terms energy: -710.444289
where:
bonds (distance) C4'-P energy: -135.476
bonds (distance) P-C4' energy: -128.205
flat angles C4'-P-C4' energy: -151.485
flat angles P-C4'-P energy: -108.850
tors. eta vs tors. theta energy: -186.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2156.331928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.331928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.331928 (E_RNA)
where:
Base-Base interactions energy: -1500.872
where: short stacking energy: -623.457
Base-Backbone interact. energy: -2.090
local terms energy: -653.369922
where:
bonds (distance) C4'-P energy: -131.693
bonds (distance) P-C4' energy: -124.228
flat angles C4'-P-C4' energy: -141.524
flat angles P-C4'-P energy: -97.367
tors. eta vs tors. theta energy: -158.557
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: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2111.917163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.917163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.917163 (E_RNA)
where:
Base-Base interactions energy: -1461.368
where: short stacking energy: -612.591
Base-Backbone interact. energy: -2.961
local terms energy: -647.588137
where:
bonds (distance) C4'-P energy: -109.221
bonds (distance) P-C4' energy: -135.417
flat angles C4'-P-C4' energy: -144.146
flat angles P-C4'-P energy: -92.194
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: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2079.378439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.378439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.378439 (E_RNA)
where:
Base-Base interactions energy: -1442.439
where: short stacking energy: -605.193
Base-Backbone interact. energy: -3.102
local terms energy: -633.837002
where:
bonds (distance) C4'-P energy: -133.488
bonds (distance) P-C4' energy: -115.827
flat angles C4'-P-C4' energy: -129.541
flat angles P-C4'-P energy: -76.897
tors. eta vs tors. theta energy: -178.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1852.117590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.117590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.117590 (E_RNA)
where:
Base-Base interactions energy: -1239.231
where: short stacking energy: -543.796
Base-Backbone interact. energy: -1.575
local terms energy: -611.311362
where:
bonds (distance) C4'-P energy: -110.594
bonds (distance) P-C4' energy: -124.054
flat angles C4'-P-C4' energy: -130.079
flat angles P-C4'-P energy: -96.653
tors. eta vs tors. theta energy: -149.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1681.289585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.289585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.289585 (E_RNA)
where:
Base-Base interactions energy: -1130.789
where: short stacking energy: -496.978
Base-Backbone interact. energy: -1.559
local terms energy: -548.941952
where:
bonds (distance) C4'-P energy: -98.235
bonds (distance) P-C4' energy: -105.441
flat angles C4'-P-C4' energy: -135.277
flat angles P-C4'-P energy: -76.628
tors. eta vs tors. theta energy: -133.360
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: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1617.848145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.848145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.848145 (E_RNA)
where:
Base-Base interactions energy: -1081.903
where: short stacking energy: -482.186
Base-Backbone interact. energy: -3.200
local terms energy: -532.745546
where:
bonds (distance) C4'-P energy: -113.582
bonds (distance) P-C4' energy: -110.463
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -71.840
tors. eta vs tors. theta energy: -119.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1192.788028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.788028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.788028 (E_RNA)
where:
Base-Base interactions energy: -732.785
where: short stacking energy: -363.957
Base-Backbone interact. energy: -0.788
local terms energy: -459.215150
where:
bonds (distance) C4'-P energy: -105.109
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -133.418
flat angles P-C4'-P energy: -52.144
tors. eta vs tors. theta energy: -65.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -802.861604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.861604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.861604 (E_RNA)
where:
Base-Base interactions energy: -406.738
where: short stacking energy: -240.832
Base-Backbone interact. energy: 1.882
local terms energy: -398.005864
where:
bonds (distance) C4'-P energy: -114.628
bonds (distance) P-C4' energy: -111.365
flat angles C4'-P-C4' energy: -97.503
flat angles P-C4'-P energy: -55.847
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -558.492065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.492065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.492065 (E_RNA)
where:
Base-Base interactions energy: -201.106
where: short stacking energy: -166.400
Base-Backbone interact. energy: -0.757
local terms energy: -356.628666
where:
bonds (distance) C4'-P energy: -99.942
bonds (distance) P-C4' energy: -107.396
flat angles C4'-P-C4' energy: -104.233
flat angles P-C4'-P energy: -64.875
tors. eta vs tors. theta energy: 19.818
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: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2300.266013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.266013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.266013 (E_RNA)
where:
Base-Base interactions energy: -1583.576
where: short stacking energy: -660.265
Base-Backbone interact. energy: 2.538
local terms energy: -719.227979
where:
bonds (distance) C4'-P energy: -146.092
bonds (distance) P-C4' energy: -129.309
flat angles C4'-P-C4' energy: -149.749
flat angles P-C4'-P energy: -112.221
tors. eta vs tors. theta energy: -181.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2141.837279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.837279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.837279 (E_RNA)
where:
Base-Base interactions energy: -1478.062
where: short stacking energy: -612.824
Base-Backbone interact. energy: 2.436
local terms energy: -666.211502
where:
bonds (distance) C4'-P energy: -124.009
bonds (distance) P-C4' energy: -134.552
flat angles C4'-P-C4' energy: -148.511
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -158.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2101.685430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.685430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.685430 (E_RNA)
where:
Base-Base interactions energy: -1439.281
where: short stacking energy: -600.198
Base-Backbone interact. energy: 2.340
local terms energy: -664.744419
where:
bonds (distance) C4'-P energy: -119.858
bonds (distance) P-C4' energy: -125.651
flat angles C4'-P-C4' energy: -145.896
flat angles P-C4'-P energy: -96.593
tors. eta vs tors. theta energy: -176.746
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2079.330031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.330031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.330031 (E_RNA)
where:
Base-Base interactions energy: -1439.693
where: short stacking energy: -628.148
Base-Backbone interact. energy: -3.363
local terms energy: -636.274077
where:
bonds (distance) C4'-P energy: -110.443
bonds (distance) P-C4' energy: -109.278
flat angles C4'-P-C4' energy: -138.456
flat angles P-C4'-P energy: -97.782
tors. eta vs tors. theta energy: -180.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1877.679471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.679471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.679471 (E_RNA)
where:
Base-Base interactions energy: -1271.895
where: short stacking energy: -542.774
Base-Backbone interact. energy: -2.123
local terms energy: -603.661588
where:
bonds (distance) C4'-P energy: -117.140
bonds (distance) P-C4' energy: -119.165
flat angles C4'-P-C4' energy: -137.077
flat angles P-C4'-P energy: -81.476
tors. eta vs tors. theta energy: -148.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1639.127887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.127887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.127887 (E_RNA)
where:
Base-Base interactions energy: -1085.367
where: short stacking energy: -483.606
Base-Backbone interact. energy: -3.058
local terms energy: -550.702236
where:
bonds (distance) C4'-P energy: -118.121
bonds (distance) P-C4' energy: -111.396
flat angles C4'-P-C4' energy: -124.897
flat angles P-C4'-P energy: -78.015
tors. eta vs tors. theta energy: -118.273
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: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1625.371813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.371813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.371813 (E_RNA)
where:
Base-Base interactions energy: -1083.326
where: short stacking energy: -450.512
Base-Backbone interact. energy: -4.787
local terms energy: -537.258367
where:
bonds (distance) C4'-P energy: -114.130
bonds (distance) P-C4' energy: -118.529
flat angles C4'-P-C4' energy: -107.999
flat angles P-C4'-P energy: -83.166
tors. eta vs tors. theta energy: -113.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1057.813303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.813303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.813303 (E_RNA)
where:
Base-Base interactions energy: -635.034
where: short stacking energy: -331.753
Base-Backbone interact. energy: 1.909
local terms energy: -424.688146
where:
bonds (distance) C4'-P energy: -106.380
bonds (distance) P-C4' energy: -112.264
flat angles C4'-P-C4' energy: -100.215
flat angles P-C4'-P energy: -67.904
tors. eta vs tors. theta energy: -37.925
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: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -775.783931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.783931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.783931 (E_RNA)
where:
Base-Base interactions energy: -392.643
where: short stacking energy: -235.119
Base-Backbone interact. energy: -3.800
local terms energy: -379.340148
where:
bonds (distance) C4'-P energy: -100.963
bonds (distance) P-C4' energy: -105.623
flat angles C4'-P-C4' energy: -101.736
flat angles P-C4'-P energy: -66.685
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: 10, replica: 2
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -607.060264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.060264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.060264 (E_RNA)
where:
Base-Base interactions energy: -259.118
where: short stacking energy: -181.012
Base-Backbone interact. energy: -2.663
local terms energy: -345.279088
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -108.619
flat angles C4'-P-C4' energy: -89.866
flat angles P-C4'-P energy: -52.508
tors. eta vs tors. theta energy: 9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2333.780866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.780866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.780866 (E_RNA)
where:
Base-Base interactions energy: -1630.806
where: short stacking energy: -682.536
Base-Backbone interact. energy: 2.228
local terms energy: -705.203039
where:
bonds (distance) C4'-P energy: -129.104
bonds (distance) P-C4' energy: -140.814
flat angles C4'-P-C4' energy: -152.104
flat angles P-C4'-P energy: -93.997
tors. eta vs tors. theta energy: -189.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2133.275777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.275777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.275777 (E_RNA)
where:
Base-Base interactions energy: -1486.433
where: short stacking energy: -597.536
Base-Backbone interact. energy: -0.073
local terms energy: -646.770060
where:
bonds (distance) C4'-P energy: -122.276
bonds (distance) P-C4' energy: -133.581
flat angles C4'-P-C4' energy: -144.852
flat angles P-C4'-P energy: -86.522
tors. eta vs tors. theta energy: -159.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2130.608364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.608364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.608364 (E_RNA)
where:
Base-Base interactions energy: -1451.961
where: short stacking energy: -612.103
Base-Backbone interact. energy: -6.850
local terms energy: -671.796518
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -130.163
flat angles C4'-P-C4' energy: -140.988
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -183.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2103.432431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.432431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.432431 (E_RNA)
where:
Base-Base interactions energy: -1456.946
where: short stacking energy: -625.446
Base-Backbone interact. energy: -0.715
local terms energy: -645.771346
where:
bonds (distance) C4'-P energy: -107.105
bonds (distance) P-C4' energy: -123.352
flat angles C4'-P-C4' energy: -146.019
flat angles P-C4'-P energy: -88.013
tors. eta vs tors. theta energy: -181.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1895.513858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.513858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.513858 (E_RNA)
where:
Base-Base interactions energy: -1297.411
where: short stacking energy: -555.993
Base-Backbone interact. energy: -4.338
local terms energy: -593.764251
where:
bonds (distance) C4'-P energy: -114.309
bonds (distance) P-C4' energy: -119.125
flat angles C4'-P-C4' energy: -131.393
flat angles P-C4'-P energy: -79.924
tors. eta vs tors. theta energy: -149.014
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: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1657.256939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.256939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.256939 (E_RNA)
where:
Base-Base interactions energy: -1086.915
where: short stacking energy: -466.972
Base-Backbone interact. energy: -4.160
local terms energy: -566.182044
where:
bonds (distance) C4'-P energy: -118.429
bonds (distance) P-C4' energy: -114.952
flat angles C4'-P-C4' energy: -127.584
flat angles P-C4'-P energy: -79.655
tors. eta vs tors. theta energy: -125.563
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: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1693.294709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.294709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.294709 (E_RNA)
where:
Base-Base interactions energy: -1151.966
where: short stacking energy: -510.325
Base-Backbone interact. energy: -0.133
local terms energy: -541.195360
where:
bonds (distance) C4'-P energy: -103.380
bonds (distance) P-C4' energy: -112.403
flat angles C4'-P-C4' energy: -113.069
flat angles P-C4'-P energy: -68.238
tors. eta vs tors. theta energy: -144.104
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: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1174.169456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.169456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.169456 (E_RNA)
where:
Base-Base interactions energy: -725.523
where: short stacking energy: -346.599
Base-Backbone interact. energy: -0.907
local terms energy: -447.739241
where:
bonds (distance) C4'-P energy: -107.127
bonds (distance) P-C4' energy: -115.357
flat angles C4'-P-C4' energy: -107.392
flat angles P-C4'-P energy: -65.972
tors. eta vs tors. theta energy: -51.892
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -794.429031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.429031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.429031 (E_RNA)
where:
Base-Base interactions energy: -416.338
where: short stacking energy: -244.539
Base-Backbone interact. energy: 1.244
local terms energy: -379.335760
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -99.483
flat angles C4'-P-C4' energy: -111.066
flat angles P-C4'-P energy: -52.743
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -576.569096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.569096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.569096 (E_RNA)
where:
Base-Base interactions energy: -241.331
where: short stacking energy: -193.617
Base-Backbone interact. energy: 3.340
local terms energy: -338.578188
where:
bonds (distance) C4'-P energy: -107.317
bonds (distance) P-C4' energy: -116.399
flat angles C4'-P-C4' energy: -68.831
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -2.185
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: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2334.617451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.617451 (E_RNA)
where:
Base-Base interactions energy: -1632.157
where: short stacking energy: -676.953
Base-Backbone interact. energy: -0.149
local terms energy: -702.311440
where:
bonds (distance) C4'-P energy: -139.573
bonds (distance) P-C4' energy: -126.566
flat angles C4'-P-C4' energy: -144.113
flat angles P-C4'-P energy: -113.831
tors. eta vs tors. theta energy: -178.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2154.083499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.083499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.083499 (E_RNA)
where:
Base-Base interactions energy: -1527.373
where: short stacking energy: -634.756
Base-Backbone interact. energy: -1.681
local terms energy: -625.029181
where:
bonds (distance) C4'-P energy: -114.573
bonds (distance) P-C4' energy: -111.229
flat angles C4'-P-C4' energy: -142.614
flat angles P-C4'-P energy: -87.022
tors. eta vs tors. theta energy: -169.591
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: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2124.213004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.213004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.213004 (E_RNA)
where:
Base-Base interactions energy: -1462.886
where: short stacking energy: -639.629
Base-Backbone interact. energy: -0.715
local terms energy: -660.612158
where:
bonds (distance) C4'-P energy: -112.007
bonds (distance) P-C4' energy: -124.732
flat angles C4'-P-C4' energy: -142.664
flat angles P-C4'-P energy: -99.257
tors. eta vs tors. theta energy: -181.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2060.610907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.610907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.610907 (E_RNA)
where:
Base-Base interactions energy: -1414.342
where: short stacking energy: -623.158
Base-Backbone interact. energy: 1.107
local terms energy: -647.376374
where:
bonds (distance) C4'-P energy: -115.519
bonds (distance) P-C4' energy: -114.179
flat angles C4'-P-C4' energy: -146.617
flat angles P-C4'-P energy: -93.273
tors. eta vs tors. theta energy: -177.789
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: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1811.530218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.530218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.530218 (E_RNA)
where:
Base-Base interactions energy: -1236.948
where: short stacking energy: -530.293
Base-Backbone interact. energy: -3.100
local terms energy: -571.482298
where:
bonds (distance) C4'-P energy: -120.693
bonds (distance) P-C4' energy: -96.507
flat angles C4'-P-C4' energy: -134.091
flat angles P-C4'-P energy: -90.660
tors. eta vs tors. theta energy: -129.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1641.956181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.956181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.956181 (E_RNA)
where:
Base-Base interactions energy: -1113.282
where: short stacking energy: -487.293
Base-Backbone interact. energy: -3.900
local terms energy: -524.774521
where:
bonds (distance) C4'-P energy: -94.832
bonds (distance) P-C4' energy: -116.506
flat angles C4'-P-C4' energy: -123.144
flat angles P-C4'-P energy: -74.395
tors. eta vs tors. theta energy: -115.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1691.170738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.170738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.170738 (E_RNA)
where:
Base-Base interactions energy: -1151.832
where: short stacking energy: -494.507
Base-Backbone interact. energy: -1.330
local terms energy: -538.008753
where:
bonds (distance) C4'-P energy: -113.377
bonds (distance) P-C4' energy: -111.120
flat angles C4'-P-C4' energy: -122.058
flat angles P-C4'-P energy: -59.780
tors. eta vs tors. theta energy: -131.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1194.976052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.976052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.976052 (E_RNA)
where:
Base-Base interactions energy: -765.591
where: short stacking energy: -351.449
Base-Backbone interact. energy: -0.507
local terms energy: -428.877424
where:
bonds (distance) C4'-P energy: -87.330
bonds (distance) P-C4' energy: -115.579
flat angles C4'-P-C4' energy: -103.927
flat angles P-C4'-P energy: -62.211
tors. eta vs tors. theta energy: -59.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -811.677054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.677054 (E_RNA)
where:
Base-Base interactions energy: -405.710
where: short stacking energy: -223.139
Base-Backbone interact. energy: 5.091
local terms energy: -411.057722
where:
bonds (distance) C4'-P energy: -101.236
bonds (distance) P-C4' energy: -127.569
flat angles C4'-P-C4' energy: -95.148
flat angles P-C4'-P energy: -76.096
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -588.451299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.451299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.451299 (E_RNA)
where:
Base-Base interactions energy: -254.871
where: short stacking energy: -178.893
Base-Backbone interact. energy: 3.161
local terms energy: -336.741347
where:
bonds (distance) C4'-P energy: -108.671
bonds (distance) P-C4' energy: -103.110
flat angles C4'-P-C4' energy: -84.491
flat angles P-C4'-P energy: -44.574
tors. eta vs tors. theta energy: 4.105
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: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2293.596153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.596153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.596153 (E_RNA)
where:
Base-Base interactions energy: -1602.828
where: short stacking energy: -665.741
Base-Backbone interact. energy: -4.698
local terms energy: -686.070142
where:
bonds (distance) C4'-P energy: -119.002
bonds (distance) P-C4' energy: -137.719
flat angles C4'-P-C4' energy: -143.911
flat angles P-C4'-P energy: -100.916
tors. eta vs tors. theta energy: -184.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2171.676892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.676892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.676892 (E_RNA)
where:
Base-Base interactions energy: -1475.752
where: short stacking energy: -638.685
Base-Backbone interact. energy: -4.399
local terms energy: -691.525841
where:
bonds (distance) C4'-P energy: -130.957
bonds (distance) P-C4' energy: -127.973
flat angles C4'-P-C4' energy: -146.709
flat angles P-C4'-P energy: -105.092
tors. eta vs tors. theta energy: -180.794
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: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2103.674883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.674883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.674883 (E_RNA)
where:
Base-Base interactions energy: -1446.303
where: short stacking energy: -580.329
Base-Backbone interact. energy: 1.062
local terms energy: -658.434439
where:
bonds (distance) C4'-P energy: -123.669
bonds (distance) P-C4' energy: -138.955
flat angles C4'-P-C4' energy: -145.800
flat angles P-C4'-P energy: -90.968
tors. eta vs tors. theta energy: -159.043
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: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2055.537401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.537401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.537401 (E_RNA)
where:
Base-Base interactions energy: -1415.170
where: short stacking energy: -613.504
Base-Backbone interact. energy: -2.712
local terms energy: -637.654699
where:
bonds (distance) C4'-P energy: -101.167
bonds (distance) P-C4' energy: -123.627
flat angles C4'-P-C4' energy: -147.169
flat angles P-C4'-P energy: -99.815
tors. eta vs tors. theta energy: -165.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1835.836096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.836096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.836096 (E_RNA)
where:
Base-Base interactions energy: -1230.943
where: short stacking energy: -544.595
Base-Backbone interact. energy: -2.482
local terms energy: -602.410897
where:
bonds (distance) C4'-P energy: -123.423
bonds (distance) P-C4' energy: -103.080
flat angles C4'-P-C4' energy: -148.065
flat angles P-C4'-P energy: -84.378
tors. eta vs tors. theta energy: -143.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1749.436383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.436383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.436383 (E_RNA)
where:
Base-Base interactions energy: -1219.891
where: short stacking energy: -504.167
Base-Backbone interact. energy: -2.113
local terms energy: -527.432584
where:
bonds (distance) C4'-P energy: -91.835
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -133.314
flat angles P-C4'-P energy: -67.700
tors. eta vs tors. theta energy: -120.175
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: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1564.384986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.384986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.384986 (E_RNA)
where:
Base-Base interactions energy: -1038.344
where: short stacking energy: -444.307
Base-Backbone interact. energy: 0.153
local terms energy: -526.194154
where:
bonds (distance) C4'-P energy: -86.338
bonds (distance) P-C4' energy: -102.798
flat angles C4'-P-C4' energy: -132.406
flat angles P-C4'-P energy: -85.777
tors. eta vs tors. theta energy: -118.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1257.482723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.482723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.482723 (E_RNA)
where:
Base-Base interactions energy: -799.302
where: short stacking energy: -345.769
Base-Backbone interact. energy: -0.828
local terms energy: -457.353004
where:
bonds (distance) C4'-P energy: -110.887
bonds (distance) P-C4' energy: -106.856
flat angles C4'-P-C4' energy: -102.368
flat angles P-C4'-P energy: -74.943
tors. eta vs tors. theta energy: -62.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -787.804990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.804990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.804990 (E_RNA)
where:
Base-Base interactions energy: -414.693
where: short stacking energy: -232.574
Base-Backbone interact. energy: -4.323
local terms energy: -368.788452
where:
bonds (distance) C4'-P energy: -107.378
bonds (distance) P-C4' energy: -107.365
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: -8.240
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: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -604.941242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.941242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.941242 (E_RNA)
where:
Base-Base interactions energy: -269.051
where: short stacking energy: -174.807
Base-Backbone interact. energy: -0.085
local terms energy: -335.805404
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -105.256
flat angles C4'-P-C4' energy: -83.847
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: 9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2304.032766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.032766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.032766 (E_RNA)
where:
Base-Base interactions energy: -1636.345
where: short stacking energy: -666.631
Base-Backbone interact. energy: -2.667
local terms energy: -665.020695
where:
bonds (distance) C4'-P energy: -113.565
bonds (distance) P-C4' energy: -128.242
flat angles C4'-P-C4' energy: -154.042
flat angles P-C4'-P energy: -96.763
tors. eta vs tors. theta energy: -172.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2181.007484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.007484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.007484 (E_RNA)
where:
Base-Base interactions energy: -1484.227
where: short stacking energy: -649.802
Base-Backbone interact. energy: 0.214
local terms energy: -696.994057
where:
bonds (distance) C4'-P energy: -137.398
bonds (distance) P-C4' energy: -140.780
flat angles C4'-P-C4' energy: -140.209
flat angles P-C4'-P energy: -90.013
tors. eta vs tors. theta energy: -188.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2084.811867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.811867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.811867 (E_RNA)
where:
Base-Base interactions energy: -1454.063
where: short stacking energy: -591.787
Base-Backbone interact. energy: 2.551
local terms energy: -633.299110
where:
bonds (distance) C4'-P energy: -120.410
bonds (distance) P-C4' energy: -127.998
flat angles C4'-P-C4' energy: -148.726
flat angles P-C4'-P energy: -83.625
tors. eta vs tors. theta energy: -152.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2143.134792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.134792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.134792 (E_RNA)
where:
Base-Base interactions energy: -1491.722
where: short stacking energy: -645.557
Base-Backbone interact. energy: -3.559
local terms energy: -647.853112
where:
bonds (distance) C4'-P energy: -119.910
bonds (distance) P-C4' energy: -117.330
flat angles C4'-P-C4' energy: -138.025
flat angles P-C4'-P energy: -90.912
tors. eta vs tors. theta energy: -181.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1798.250107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.250107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.250107 (E_RNA)
where:
Base-Base interactions energy: -1260.124
where: short stacking energy: -541.195
Base-Backbone interact. energy: -3.035
local terms energy: -535.090811
where:
bonds (distance) C4'-P energy: -77.277
bonds (distance) P-C4' energy: -120.105
flat angles C4'-P-C4' energy: -126.259
flat angles P-C4'-P energy: -75.204
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: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1773.073778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.073778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.073778 (E_RNA)
where:
Base-Base interactions energy: -1234.785
where: short stacking energy: -543.212
Base-Backbone interact. energy: 3.236
local terms energy: -541.525397
where:
bonds (distance) C4'-P energy: -96.560
bonds (distance) P-C4' energy: -103.059
flat angles C4'-P-C4' energy: -125.734
flat angles P-C4'-P energy: -91.966
tors. eta vs tors. theta energy: -124.207
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: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1554.599196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.599196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.599196 (E_RNA)
where:
Base-Base interactions energy: -1025.215
where: short stacking energy: -419.952
Base-Backbone interact. energy: -1.333
local terms energy: -528.050668
where:
bonds (distance) C4'-P energy: -118.105
bonds (distance) P-C4' energy: -101.317
flat angles C4'-P-C4' energy: -129.884
flat angles P-C4'-P energy: -56.963
tors. eta vs tors. theta energy: -121.781
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: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1376.689530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.689530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.689530 (E_RNA)
where:
Base-Base interactions energy: -881.490
where: short stacking energy: -413.005
Base-Backbone interact. energy: -1.978
local terms energy: -493.220660
where:
bonds (distance) C4'-P energy: -118.042
bonds (distance) P-C4' energy: -90.293
flat angles C4'-P-C4' energy: -131.557
flat angles P-C4'-P energy: -65.203
tors. eta vs tors. theta energy: -88.125
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: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -791.232665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.232665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.232665 (E_RNA)
where:
Base-Base interactions energy: -383.291
where: short stacking energy: -252.260
Base-Backbone interact. energy: 2.742
local terms energy: -410.683453
where:
bonds (distance) C4'-P energy: -107.799
bonds (distance) P-C4' energy: -117.086
flat angles C4'-P-C4' energy: -92.419
flat angles P-C4'-P energy: -68.014
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -553.226103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.226103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.226103 (E_RNA)
where:
Base-Base interactions energy: -216.282
where: short stacking energy: -139.388
Base-Backbone interact. energy: 0.490
local terms energy: -337.433845
where:
bonds (distance) C4'-P energy: -106.531
bonds (distance) P-C4' energy: -112.186
flat angles C4'-P-C4' energy: -92.610
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: 27.041
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2330.237817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.237817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.237817 (E_RNA)
where:
Base-Base interactions energy: -1644.529
where: short stacking energy: -684.293
Base-Backbone interact. energy: -1.528
local terms energy: -684.181015
where:
bonds (distance) C4'-P energy: -134.180
bonds (distance) P-C4' energy: -133.408
flat angles C4'-P-C4' energy: -142.125
flat angles P-C4'-P energy: -92.097
tors. eta vs tors. theta energy: -182.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2183.242266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.242266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.242266 (E_RNA)
where:
Base-Base interactions energy: -1505.530
where: short stacking energy: -643.396
Base-Backbone interact. energy: -1.484
local terms energy: -676.228042
where:
bonds (distance) C4'-P energy: -115.495
bonds (distance) P-C4' energy: -138.295
flat angles C4'-P-C4' energy: -148.307
flat angles P-C4'-P energy: -97.371
tors. eta vs tors. theta energy: -176.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2144.316123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.316123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.316123 (E_RNA)
where:
Base-Base interactions energy: -1496.407
where: short stacking energy: -628.145
Base-Backbone interact. energy: 0.216
local terms energy: -648.125416
where:
bonds (distance) C4'-P energy: -116.812
bonds (distance) P-C4' energy: -122.491
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -101.771
tors. eta vs tors. theta energy: -168.151
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: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2095.070779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.070779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.070779 (E_RNA)
where:
Base-Base interactions energy: -1466.352
where: short stacking energy: -602.902
Base-Backbone interact. energy: -1.933
local terms energy: -626.785735
where:
bonds (distance) C4'-P energy: -119.879
bonds (distance) P-C4' energy: -99.041
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -93.320
tors. eta vs tors. theta energy: -173.927
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: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1831.469793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.469793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.469793 (E_RNA)
where:
Base-Base interactions energy: -1241.482
where: short stacking energy: -542.593
Base-Backbone interact. energy: -5.761
local terms energy: -584.227610
where:
bonds (distance) C4'-P energy: -120.077
bonds (distance) P-C4' energy: -105.641
flat angles C4'-P-C4' energy: -127.588
flat angles P-C4'-P energy: -91.466
tors. eta vs tors. theta energy: -139.457
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: 193
Temperature: 1.150000
Total energy: -1744.446784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.446784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.446784 (E_RNA)
where:
Base-Base interactions energy: -1171.695
where: short stacking energy: -507.133
Base-Backbone interact. energy: 0.759
local terms energy: -573.511733
where:
bonds (distance) C4'-P energy: -113.540
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -128.931
flat angles P-C4'-P energy: -75.659
tors. eta vs tors. theta energy: -132.786
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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1544.793835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.793835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.793835 (E_RNA)
where:
Base-Base interactions energy: -1008.701
where: short stacking energy: -443.942
Base-Backbone interact. energy: -1.679
local terms energy: -534.413970
where:
bonds (distance) C4'-P energy: -105.906
bonds (distance) P-C4' energy: -115.786
flat angles C4'-P-C4' energy: -132.948
flat angles P-C4'-P energy: -66.613
tors. eta vs tors. theta energy: -113.161
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: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1253.366269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.366269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.366269 (E_RNA)
where:
Base-Base interactions energy: -794.029
where: short stacking energy: -327.786
Base-Backbone interact. energy: -1.316
local terms energy: -458.021290
where:
bonds (distance) C4'-P energy: -101.771
bonds (distance) P-C4' energy: -106.881
flat angles C4'-P-C4' energy: -118.122
flat angles P-C4'-P energy: -66.396
tors. eta vs tors. theta energy: -64.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -775.541127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.541127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.541127 (E_RNA)
where:
Base-Base interactions energy: -372.076
where: short stacking energy: -232.184
Base-Backbone interact. energy: -2.716
local terms energy: -400.749295
where:
bonds (distance) C4'-P energy: -104.521
bonds (distance) P-C4' energy: -103.119
flat angles C4'-P-C4' energy: -98.086
flat angles P-C4'-P energy: -78.780
tors. eta vs tors. theta energy: -16.244
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: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -518.262960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.262960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.262960 (E_RNA)
where:
Base-Base interactions energy: -161.030
where: short stacking energy: -150.902
Base-Backbone interact. energy: -0.833
local terms energy: -356.399614
where:
bonds (distance) C4'-P energy: -102.912
bonds (distance) P-C4' energy: -114.625
flat angles C4'-P-C4' energy: -100.191
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: 16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2319.432164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.432164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.432164 (E_RNA)
where:
Base-Base interactions energy: -1635.330
where: short stacking energy: -669.161
Base-Backbone interact. energy: -4.982
local terms energy: -679.120800
where:
bonds (distance) C4'-P energy: -127.206
bonds (distance) P-C4' energy: -129.409
flat angles C4'-P-C4' energy: -143.694
flat angles P-C4'-P energy: -94.571
tors. eta vs tors. theta energy: -184.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2205.064094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.064094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.064094 (E_RNA)
where:
Base-Base interactions energy: -1506.607
where: short stacking energy: -646.812
Base-Backbone interact. energy: -3.616
local terms energy: -694.841524
where:
bonds (distance) C4'-P energy: -134.410
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -151.074
flat angles P-C4'-P energy: -91.759
tors. eta vs tors. theta energy: -183.770
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: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2135.737506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.737506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.737506 (E_RNA)
where:
Base-Base interactions energy: -1490.677
where: short stacking energy: -623.431
Base-Backbone interact. energy: -0.868
local terms energy: -644.192606
where:
bonds (distance) C4'-P energy: -113.067
bonds (distance) P-C4' energy: -120.668
flat angles C4'-P-C4' energy: -147.190
flat angles P-C4'-P energy: -100.424
tors. eta vs tors. theta energy: -162.843
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2081.931730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.931730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.931730 (E_RNA)
where:
Base-Base interactions energy: -1470.473
where: short stacking energy: -616.882
Base-Backbone interact. energy: 0.499
local terms energy: -611.958050
where:
bonds (distance) C4'-P energy: -122.446
bonds (distance) P-C4' energy: -107.745
flat angles C4'-P-C4' energy: -127.166
flat angles P-C4'-P energy: -83.758
tors. eta vs tors. theta energy: -170.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1791.436024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.436024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.436024 (E_RNA)
where:
Base-Base interactions energy: -1205.694
where: short stacking energy: -522.448
Base-Backbone interact. energy: -2.614
local terms energy: -583.128081
where:
bonds (distance) C4'-P energy: -110.424
bonds (distance) P-C4' energy: -101.008
flat angles C4'-P-C4' energy: -142.875
flat angles P-C4'-P energy: -92.276
tors. eta vs tors. theta energy: -136.545
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1631.827730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.827730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.827730 (E_RNA)
where:
Base-Base interactions energy: -1104.650
where: short stacking energy: -459.472
Base-Backbone interact. energy: 3.217
local terms energy: -530.394879
where:
bonds (distance) C4'-P energy: -108.887
bonds (distance) P-C4' energy: -109.415
flat angles C4'-P-C4' energy: -107.423
flat angles P-C4'-P energy: -92.288
tors. eta vs tors. theta energy: -112.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1514.439561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.439561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.439561 (E_RNA)
where:
Base-Base interactions energy: -1023.760
where: short stacking energy: -453.972
Base-Backbone interact. energy: 1.698
local terms energy: -492.378239
where:
bonds (distance) C4'-P energy: -86.730
bonds (distance) P-C4' energy: -117.214
flat angles C4'-P-C4' energy: -109.392
flat angles P-C4'-P energy: -77.342
tors. eta vs tors. theta energy: -101.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1265.098581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.098581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.098581 (E_RNA)
where:
Base-Base interactions energy: -805.035
where: short stacking energy: -388.024
Base-Backbone interact. energy: 3.401
local terms energy: -463.464949
where:
bonds (distance) C4'-P energy: -85.385
bonds (distance) P-C4' energy: -115.958
flat angles C4'-P-C4' energy: -108.100
flat angles P-C4'-P energy: -76.781
tors. eta vs tors. theta energy: -77.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -783.666814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.666814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.666814 (E_RNA)
where:
Base-Base interactions energy: -389.253
where: short stacking energy: -239.321
Base-Backbone interact. energy: -1.754
local terms energy: -392.659488
where:
bonds (distance) C4'-P energy: -98.029
bonds (distance) P-C4' energy: -113.843
flat angles C4'-P-C4' energy: -97.200
flat angles P-C4'-P energy: -65.683
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -532.551819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.551819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.551819 (E_RNA)
where:
Base-Base interactions energy: -209.177
where: short stacking energy: -142.137
Base-Backbone interact. energy: 5.141
local terms energy: -328.516691
where:
bonds (distance) C4'-P energy: -93.514
bonds (distance) P-C4' energy: -116.366
flat angles C4'-P-C4' energy: -77.386
flat angles P-C4'-P energy: -73.570
tors. eta vs tors. theta energy: 32.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2319.590378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.590378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.590378 (E_RNA)
where:
Base-Base interactions energy: -1619.107
where: short stacking energy: -668.960
Base-Backbone interact. energy: -3.700
local terms energy: -696.783259
where:
bonds (distance) C4'-P energy: -136.705
bonds (distance) P-C4' energy: -125.950
flat angles C4'-P-C4' energy: -156.110
flat angles P-C4'-P energy: -81.613
tors. eta vs tors. theta energy: -196.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2176.522840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.522840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.522840 (E_RNA)
where:
Base-Base interactions energy: -1499.227
where: short stacking energy: -614.696
Base-Backbone interact. energy: -8.147
local terms energy: -669.148360
where:
bonds (distance) C4'-P energy: -130.441
bonds (distance) P-C4' energy: -130.803
flat angles C4'-P-C4' energy: -147.397
flat angles P-C4'-P energy: -84.270
tors. eta vs tors. theta energy: -176.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2105.947085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.947085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.947085 (E_RNA)
where:
Base-Base interactions energy: -1457.074
where: short stacking energy: -626.023
Base-Backbone interact. energy: 2.982
local terms energy: -651.855250
where:
bonds (distance) C4'-P energy: -121.811
bonds (distance) P-C4' energy: -131.809
flat angles C4'-P-C4' energy: -132.127
flat angles P-C4'-P energy: -100.395
tors. eta vs tors. theta energy: -165.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2121.228961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.228961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.228961 (E_RNA)
where:
Base-Base interactions energy: -1497.204
where: short stacking energy: -609.174
Base-Backbone interact. energy: 1.639
local terms energy: -625.663968
where:
bonds (distance) C4'-P energy: -126.326
bonds (distance) P-C4' energy: -116.860
flat angles C4'-P-C4' energy: -125.567
flat angles P-C4'-P energy: -85.429
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: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1796.815419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.815419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.815419 (E_RNA)
where:
Base-Base interactions energy: -1217.609
where: short stacking energy: -527.521
Base-Backbone interact. energy: -0.968
local terms energy: -578.239200
where:
bonds (distance) C4'-P energy: -104.203
bonds (distance) P-C4' energy: -118.835
flat angles C4'-P-C4' energy: -135.109
flat angles P-C4'-P energy: -84.958
tors. eta vs tors. theta energy: -135.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1682.216076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.216076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.216076 (E_RNA)
where:
Base-Base interactions energy: -1128.638
where: short stacking energy: -499.523
Base-Backbone interact. energy: -1.800
local terms energy: -551.777773
where:
bonds (distance) C4'-P energy: -116.226
bonds (distance) P-C4' energy: -98.854
flat angles C4'-P-C4' energy: -134.830
flat angles P-C4'-P energy: -72.880
tors. eta vs tors. theta energy: -128.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1497.933029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.933029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.933029 (E_RNA)
where:
Base-Base interactions energy: -982.274
where: short stacking energy: -417.092
Base-Backbone interact. energy: -1.224
local terms energy: -514.435218
where:
bonds (distance) C4'-P energy: -106.054
bonds (distance) P-C4' energy: -132.334
flat angles C4'-P-C4' energy: -112.112
flat angles P-C4'-P energy: -76.170
tors. eta vs tors. theta energy: -87.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1237.691955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.691955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.691955 (E_RNA)
where:
Base-Base interactions energy: -780.168
where: short stacking energy: -363.432
Base-Backbone interact. energy: -1.849
local terms energy: -455.674742
where:
bonds (distance) C4'-P energy: -101.160
bonds (distance) P-C4' energy: -114.678
flat angles C4'-P-C4' energy: -112.899
flat angles P-C4'-P energy: -55.016
tors. eta vs tors. theta energy: -71.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -725.189157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.189157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.189157 (E_RNA)
where:
Base-Base interactions energy: -342.061
where: short stacking energy: -195.653
Base-Backbone interact. energy: 1.811
local terms energy: -384.939259
where:
bonds (distance) C4'-P energy: -108.369
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -101.468
flat angles P-C4'-P energy: -71.573
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -507.174942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.174942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.174942 (E_RNA)
where:
Base-Base interactions energy: -207.687
where: short stacking energy: -163.243
Base-Backbone interact. energy: -2.010
local terms energy: -297.478135
where:
bonds (distance) C4'-P energy: -97.771
bonds (distance) P-C4' energy: -103.064
flat angles C4'-P-C4' energy: -82.256
flat angles P-C4'-P energy: -44.835
tors. eta vs tors. theta energy: 30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2319.606635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.606635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.606635 (E_RNA)
where:
Base-Base interactions energy: -1652.316
where: short stacking energy: -677.912
Base-Backbone interact. energy: -1.042
local terms energy: -666.248130
where:
bonds (distance) C4'-P energy: -121.226
bonds (distance) P-C4' energy: -125.935
flat angles C4'-P-C4' energy: -151.268
flat angles P-C4'-P energy: -83.747
tors. eta vs tors. theta energy: -184.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2194.505174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.505174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.505174 (E_RNA)
where:
Base-Base interactions energy: -1504.454
where: short stacking energy: -641.548
Base-Backbone interact. energy: -4.647
local terms energy: -685.404294
where:
bonds (distance) C4'-P energy: -132.510
bonds (distance) P-C4' energy: -134.031
flat angles C4'-P-C4' energy: -144.577
flat angles P-C4'-P energy: -91.918
tors. eta vs tors. theta energy: -182.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2160.126123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.126123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.126123 (E_RNA)
where:
Base-Base interactions energy: -1484.965
where: short stacking energy: -605.158
Base-Backbone interact. energy: 0.494
local terms energy: -675.655346
where:
bonds (distance) C4'-P energy: -126.232
bonds (distance) P-C4' energy: -130.125
flat angles C4'-P-C4' energy: -147.391
flat angles P-C4'-P energy: -101.293
tors. eta vs tors. theta energy: -170.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2027.616458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.616458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.616458 (E_RNA)
where:
Base-Base interactions energy: -1414.538
where: short stacking energy: -603.647
Base-Backbone interact. energy: -0.478
local terms energy: -612.600643
where:
bonds (distance) C4'-P energy: -120.911
bonds (distance) P-C4' energy: -111.317
flat angles C4'-P-C4' energy: -139.034
flat angles P-C4'-P energy: -80.770
tors. eta vs tors. theta energy: -160.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1789.437674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.437674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.437674 (E_RNA)
where:
Base-Base interactions energy: -1193.876
where: short stacking energy: -526.907
Base-Backbone interact. energy: 1.247
local terms energy: -596.808432
where:
bonds (distance) C4'-P energy: -121.089
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -139.835
flat angles P-C4'-P energy: -91.635
tors. eta vs tors. theta energy: -131.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1678.916416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.916416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.916416 (E_RNA)
where:
Base-Base interactions energy: -1123.116
where: short stacking energy: -472.252
Base-Backbone interact. energy: -4.164
local terms energy: -551.636502
where:
bonds (distance) C4'-P energy: -105.805
bonds (distance) P-C4' energy: -126.542
flat angles C4'-P-C4' energy: -123.034
flat angles P-C4'-P energy: -90.736
tors. eta vs tors. theta energy: -105.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1504.262363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.262363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.262363 (E_RNA)
where:
Base-Base interactions energy: -1002.714
where: short stacking energy: -426.695
Base-Backbone interact. energy: -2.655
local terms energy: -498.892821
where:
bonds (distance) C4'-P energy: -110.427
bonds (distance) P-C4' energy: -112.356
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -62.470
tors. eta vs tors. theta energy: -95.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1117.995425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.995425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.995425 (E_RNA)
where:
Base-Base interactions energy: -650.921
where: short stacking energy: -313.665
Base-Backbone interact. energy: -1.293
local terms energy: -465.781509
where:
bonds (distance) C4'-P energy: -106.764
bonds (distance) P-C4' energy: -105.353
flat angles C4'-P-C4' energy: -115.250
flat angles P-C4'-P energy: -74.035
tors. eta vs tors. theta energy: -64.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -724.171113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.171113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.171113 (E_RNA)
where:
Base-Base interactions energy: -380.605
where: short stacking energy: -205.504
Base-Backbone interact. energy: 3.683
local terms energy: -347.249519
where:
bonds (distance) C4'-P energy: -102.222
bonds (distance) P-C4' energy: -112.941
flat angles C4'-P-C4' energy: -103.740
flat angles P-C4'-P energy: -36.975
tors. eta vs tors. theta energy: 8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -511.949945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.949945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.949945 (E_RNA)
where:
Base-Base interactions energy: -179.395
where: short stacking energy: -162.826
Base-Backbone interact. energy: -1.830
local terms energy: -330.725532
where:
bonds (distance) C4'-P energy: -99.651
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -92.759
flat angles P-C4'-P energy: -73.508
tors. eta vs tors. theta energy: 31.343
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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2333.281676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.281676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.281676 (E_RNA)
where:
Base-Base interactions energy: -1619.913
where: short stacking energy: -674.989
Base-Backbone interact. energy: -2.437
local terms energy: -710.931729
where:
bonds (distance) C4'-P energy: -134.333
bonds (distance) P-C4' energy: -139.585
flat angles C4'-P-C4' energy: -141.961
flat angles P-C4'-P energy: -101.944
tors. eta vs tors. theta energy: -193.109
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2187.627217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.627217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.627217 (E_RNA)
where:
Base-Base interactions energy: -1467.396
where: short stacking energy: -635.102
Base-Backbone interact. energy: -5.102
local terms energy: -715.129428
where:
bonds (distance) C4'-P energy: -128.724
bonds (distance) P-C4' energy: -132.130
flat angles C4'-P-C4' energy: -157.760
flat angles P-C4'-P energy: -107.429
tors. eta vs tors. theta energy: -189.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2163.439163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.439163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.439163 (E_RNA)
where:
Base-Base interactions energy: -1508.078
where: short stacking energy: -620.424
Base-Backbone interact. energy: 0.799
local terms energy: -656.160046
where:
bonds (distance) C4'-P energy: -124.511
bonds (distance) P-C4' energy: -122.543
flat angles C4'-P-C4' energy: -140.550
flat angles P-C4'-P energy: -98.065
tors. eta vs tors. theta energy: -170.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2007.980374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.980374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.980374 (E_RNA)
where:
Base-Base interactions energy: -1428.878
where: short stacking energy: -581.801
Base-Backbone interact. energy: -0.322
local terms energy: -578.780300
where:
bonds (distance) C4'-P energy: -115.009
bonds (distance) P-C4' energy: -99.392
flat angles C4'-P-C4' energy: -134.213
flat angles P-C4'-P energy: -72.661
tors. eta vs tors. theta energy: -157.505
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1792.602758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.602758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.602758 (E_RNA)
where:
Base-Base interactions energy: -1233.141
where: short stacking energy: -516.796
Base-Backbone interact. energy: -2.221
local terms energy: -557.240158
where:
bonds (distance) C4'-P energy: -111.303
bonds (distance) P-C4' energy: -114.699
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -140.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1719.268856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.268856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.268856 (E_RNA)
where:
Base-Base interactions energy: -1170.531
where: short stacking energy: -493.090
Base-Backbone interact. energy: 1.739
local terms energy: -550.477300
where:
bonds (distance) C4'-P energy: -102.257
bonds (distance) P-C4' energy: -115.346
flat angles C4'-P-C4' energy: -128.778
flat angles P-C4'-P energy: -75.074
tors. eta vs tors. theta energy: -129.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1475.300675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.300675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.300675 (E_RNA)
where:
Base-Base interactions energy: -973.283
where: short stacking energy: -415.388
Base-Backbone interact. energy: 1.641
local terms energy: -503.657845
where:
bonds (distance) C4'-P energy: -109.035
bonds (distance) P-C4' energy: -111.174
flat angles C4'-P-C4' energy: -119.213
flat angles P-C4'-P energy: -77.288
tors. eta vs tors. theta energy: -86.948
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: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1155.979515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.979515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.979515 (E_RNA)
where:
Base-Base interactions energy: -685.923
where: short stacking energy: -323.761
Base-Backbone interact. energy: 1.991
local terms energy: -472.047841
where:
bonds (distance) C4'-P energy: -109.985
bonds (distance) P-C4' energy: -112.628
flat angles C4'-P-C4' energy: -119.753
flat angles P-C4'-P energy: -54.614
tors. eta vs tors. theta energy: -75.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -770.464805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.464805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.464805 (E_RNA)
where:
Base-Base interactions energy: -379.545
where: short stacking energy: -232.408
Base-Backbone interact. energy: -2.335
local terms energy: -388.584858
where:
bonds (distance) C4'-P energy: -108.914
bonds (distance) P-C4' energy: -112.827
flat angles C4'-P-C4' energy: -84.715
flat angles P-C4'-P energy: -66.592
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -536.192946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.192946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.192946 (E_RNA)
where:
Base-Base interactions energy: -235.901
where: short stacking energy: -179.396
Base-Backbone interact. energy: 2.880
local terms energy: -303.171763
where:
bonds (distance) C4'-P energy: -100.605
bonds (distance) P-C4' energy: -103.781
flat angles C4'-P-C4' energy: -75.408
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: 10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2310.219265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.219265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.219265 (E_RNA)
where:
Base-Base interactions energy: -1600.112
where: short stacking energy: -666.849
Base-Backbone interact. energy: -2.637
local terms energy: -707.469763
where:
bonds (distance) C4'-P energy: -129.717
bonds (distance) P-C4' energy: -135.272
flat angles C4'-P-C4' energy: -151.152
flat angles P-C4'-P energy: -106.258
tors. eta vs tors. theta energy: -185.071
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: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2182.570801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.570801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.570801 (E_RNA)
where:
Base-Base interactions energy: -1532.621
where: short stacking energy: -654.819
Base-Backbone interact. energy: 2.306
local terms energy: -652.255961
where:
bonds (distance) C4'-P energy: -111.623
bonds (distance) P-C4' energy: -115.844
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -99.864
tors. eta vs tors. theta energy: -186.509
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2157.828142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.828142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.828142 (E_RNA)
where:
Base-Base interactions energy: -1516.282
where: short stacking energy: -631.192
Base-Backbone interact. energy: 2.955
local terms energy: -644.501498
where:
bonds (distance) C4'-P energy: -115.574
bonds (distance) P-C4' energy: -122.948
flat angles C4'-P-C4' energy: -129.721
flat angles P-C4'-P energy: -93.308
tors. eta vs tors. theta energy: -182.950
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: 198
Temperature: 1.050000
Total energy: -2025.305053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.305053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.305053 (E_RNA)
where:
Base-Base interactions energy: -1411.469
where: short stacking energy: -600.920
Base-Backbone interact. energy: -2.646
local terms energy: -611.189578
where:
bonds (distance) C4'-P energy: -110.809
bonds (distance) P-C4' energy: -123.918
flat angles C4'-P-C4' energy: -128.868
flat angles P-C4'-P energy: -93.085
tors. eta vs tors. theta energy: -154.510
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: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1778.671634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.671634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.671634 (E_RNA)
where:
Base-Base interactions energy: -1197.118
where: short stacking energy: -506.457
Base-Backbone interact. energy: -1.934
local terms energy: -579.619524
where:
bonds (distance) C4'-P energy: -124.971
bonds (distance) P-C4' energy: -117.632
flat angles C4'-P-C4' energy: -128.825
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -132.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1739.413501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.413501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.413501 (E_RNA)
where:
Base-Base interactions energy: -1166.669
where: short stacking energy: -497.293
Base-Backbone interact. energy: 0.306
local terms energy: -573.050580
where:
bonds (distance) C4'-P energy: -104.251
bonds (distance) P-C4' energy: -123.329
flat angles C4'-P-C4' energy: -139.852
flat angles P-C4'-P energy: -86.019
tors. eta vs tors. theta energy: -119.599
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1501.847374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.847374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.847374 (E_RNA)
where:
Base-Base interactions energy: -1030.220
where: short stacking energy: -458.158
Base-Backbone interact. energy: -6.965
local terms energy: -464.662257
where:
bonds (distance) C4'-P energy: -92.451
bonds (distance) P-C4' energy: -82.180
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -68.382
tors. eta vs tors. theta energy: -103.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1180.294819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.294819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.294819 (E_RNA)
where:
Base-Base interactions energy: -741.722
where: short stacking energy: -322.073
Base-Backbone interact. energy: 4.741
local terms energy: -443.313319
where:
bonds (distance) C4'-P energy: -98.687
bonds (distance) P-C4' energy: -116.859
flat angles C4'-P-C4' energy: -115.651
flat angles P-C4'-P energy: -53.137
tors. eta vs tors. theta energy: -58.980
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: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -741.505919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.505919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.505919 (E_RNA)
where:
Base-Base interactions energy: -353.546
where: short stacking energy: -199.841
Base-Backbone interact. energy: -2.834
local terms energy: -385.125149
where:
bonds (distance) C4'-P energy: -113.389
bonds (distance) P-C4' energy: -118.446
flat angles C4'-P-C4' energy: -85.751
flat angles P-C4'-P energy: -66.580
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -621.249681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.249681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.249681 (E_RNA)
where:
Base-Base interactions energy: -281.304
where: short stacking energy: -192.549
Base-Backbone interact. energy: 0.650
local terms energy: -340.595615
where:
bonds (distance) C4'-P energy: -102.376
bonds (distance) P-C4' energy: -87.928
flat angles C4'-P-C4' energy: -112.618
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: 9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2295.774166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.774166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.774166 (E_RNA)
where:
Base-Base interactions energy: -1608.760
where: short stacking energy: -662.597
Base-Backbone interact. energy: -2.081
local terms energy: -684.933219
where:
bonds (distance) C4'-P energy: -126.606
bonds (distance) P-C4' energy: -136.981
flat angles C4'-P-C4' energy: -140.841
flat angles P-C4'-P energy: -101.258
tors. eta vs tors. theta energy: -179.248
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: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2250.827922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.827922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.827922 (E_RNA)
where:
Base-Base interactions energy: -1553.580
where: short stacking energy: -646.606
Base-Backbone interact. energy: -2.748
local terms energy: -694.500262
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -133.172
flat angles C4'-P-C4' energy: -159.262
flat angles P-C4'-P energy: -98.102
tors. eta vs tors. theta energy: -185.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2080.151214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.151214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.151214 (E_RNA)
where:
Base-Base interactions energy: -1441.325
where: short stacking energy: -616.547
Base-Backbone interact. energy: -1.661
local terms energy: -637.164882
where:
bonds (distance) C4'-P energy: -127.918
bonds (distance) P-C4' energy: -115.946
flat angles C4'-P-C4' energy: -130.093
flat angles P-C4'-P energy: -85.335
tors. eta vs tors. theta energy: -177.872
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: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2033.501135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.501135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.501135 (E_RNA)
where:
Base-Base interactions energy: -1402.711
where: short stacking energy: -577.451
Base-Backbone interact. energy: -3.500
local terms energy: -627.289458
where:
bonds (distance) C4'-P energy: -124.814
bonds (distance) P-C4' energy: -105.182
flat angles C4'-P-C4' energy: -143.745
flat angles P-C4'-P energy: -94.691
tors. eta vs tors. theta energy: -158.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1829.374036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.374036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.374036 (E_RNA)
where:
Base-Base interactions energy: -1262.350
where: short stacking energy: -538.683
Base-Backbone interact. energy: 0.290
local terms energy: -567.313977
where:
bonds (distance) C4'-P energy: -109.542
bonds (distance) P-C4' energy: -124.415
flat angles C4'-P-C4' energy: -125.609
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -131.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1665.680114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.680114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.680114 (E_RNA)
where:
Base-Base interactions energy: -1148.654
where: short stacking energy: -493.593
Base-Backbone interact. energy: -0.889
local terms energy: -516.137218
where:
bonds (distance) C4'-P energy: -92.666
bonds (distance) P-C4' energy: -109.064
flat angles C4'-P-C4' energy: -122.973
flat angles P-C4'-P energy: -76.730
tors. eta vs tors. theta energy: -114.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1527.231825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.231825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.231825 (E_RNA)
where:
Base-Base interactions energy: -984.625
where: short stacking energy: -442.856
Base-Backbone interact. energy: 0.057
local terms energy: -542.663443
where:
bonds (distance) C4'-P energy: -121.095
bonds (distance) P-C4' energy: -117.906
flat angles C4'-P-C4' energy: -121.045
flat angles P-C4'-P energy: -85.410
tors. eta vs tors. theta energy: -97.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1166.948364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.948364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.948364 (E_RNA)
where:
Base-Base interactions energy: -725.774
where: short stacking energy: -352.886
Base-Backbone interact. energy: -1.304
local terms energy: -439.869779
where:
bonds (distance) C4'-P energy: -106.419
bonds (distance) P-C4' energy: -94.988
flat angles C4'-P-C4' energy: -105.743
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: -69.763
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: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -787.653607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.653607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.653607 (E_RNA)
where:
Base-Base interactions energy: -411.225
where: short stacking energy: -229.520
Base-Backbone interact. energy: 0.175
local terms energy: -376.603792
where:
bonds (distance) C4'-P energy: -108.898
bonds (distance) P-C4' energy: -114.753
flat angles C4'-P-C4' energy: -93.192
flat angles P-C4'-P energy: -67.552
tors. eta vs tors. theta energy: 7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -593.117173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.117173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.117173 (E_RNA)
where:
Base-Base interactions energy: -240.663
where: short stacking energy: -177.901
Base-Backbone interact. energy: 2.553
local terms energy: -355.007324
where:
bonds (distance) C4'-P energy: -90.279
bonds (distance) P-C4' energy: -116.394
flat angles C4'-P-C4' energy: -95.808
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2339.562915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.562915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.562915 (E_RNA)
where:
Base-Base interactions energy: -1646.716
where: short stacking energy: -691.680
Base-Backbone interact. energy: -0.701
local terms energy: -692.145884
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -134.979
flat angles C4'-P-C4' energy: -149.094
flat angles P-C4'-P energy: -96.855
tors. eta vs tors. theta energy: -197.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2257.526234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.526234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.526234 (E_RNA)
where:
Base-Base interactions energy: -1530.880
where: short stacking energy: -680.507
Base-Backbone interact. energy: -3.245
local terms energy: -723.401009
where:
bonds (distance) C4'-P energy: -123.995
bonds (distance) P-C4' energy: -139.756
flat angles C4'-P-C4' energy: -150.575
flat angles P-C4'-P energy: -106.084
tors. eta vs tors. theta energy: -202.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2120.433977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.433977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.433977 (E_RNA)
where:
Base-Base interactions energy: -1457.283
where: short stacking energy: -630.061
Base-Backbone interact. energy: -4.168
local terms energy: -658.983061
where:
bonds (distance) C4'-P energy: -112.304
bonds (distance) P-C4' energy: -130.245
flat angles C4'-P-C4' energy: -140.108
flat angles P-C4'-P energy: -97.433
tors. eta vs tors. theta energy: -178.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2000.909340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.909340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.909340 (E_RNA)
where:
Base-Base interactions energy: -1379.675
where: short stacking energy: -570.717
Base-Backbone interact. energy: 0.463
local terms energy: -621.697180
where:
bonds (distance) C4'-P energy: -117.605
bonds (distance) P-C4' energy: -119.901
flat angles C4'-P-C4' energy: -146.025
flat angles P-C4'-P energy: -83.632
tors. eta vs tors. theta energy: -154.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1852.281097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.281097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.281097 (E_RNA)
where:
Base-Base interactions energy: -1263.469
where: short stacking energy: -533.552
Base-Backbone interact. energy: 0.289
local terms energy: -589.100464
where:
bonds (distance) C4'-P energy: -112.153
bonds (distance) P-C4' energy: -111.705
flat angles C4'-P-C4' energy: -143.682
flat angles P-C4'-P energy: -78.395
tors. eta vs tors. theta energy: -143.165
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: 200
Temperature: 1.150000
Total energy: -1632.412253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.412253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.412253 (E_RNA)
where:
Base-Base interactions energy: -1088.465
where: short stacking energy: -480.394
Base-Backbone interact. energy: -3.371
local terms energy: -540.576281
where:
bonds (distance) C4'-P energy: -102.259
bonds (distance) P-C4' energy: -119.829
flat angles C4'-P-C4' energy: -131.528
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -116.546
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: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1507.790730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.790730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.790730 (E_RNA)
where:
Base-Base interactions energy: -999.733
where: short stacking energy: -419.661
Base-Backbone interact. energy: -2.253
local terms energy: -505.804667
where:
bonds (distance) C4'-P energy: -107.306
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -116.006
flat angles P-C4'-P energy: -68.021
tors. eta vs tors. theta energy: -96.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1110.818331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.818331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.818331 (E_RNA)
where:
Base-Base interactions energy: -656.433
where: short stacking energy: -363.979
Base-Backbone interact. energy: -3.057
local terms energy: -451.328816
where:
bonds (distance) C4'-P energy: -107.954
bonds (distance) P-C4' energy: -96.668
flat angles C4'-P-C4' energy: -111.643
flat angles P-C4'-P energy: -65.921
tors. eta vs tors. theta energy: -69.143
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: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -819.157017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.157017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.157017 (E_RNA)
where:
Base-Base interactions energy: -445.433
where: short stacking energy: -251.769
Base-Backbone interact. energy: -3.098
local terms energy: -370.626291
where:
bonds (distance) C4'-P energy: -91.183
bonds (distance) P-C4' energy: -110.718
flat angles C4'-P-C4' energy: -106.621
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -23.817
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: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -574.436885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.436885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.436885 (E_RNA)
where:
Base-Base interactions energy: -276.629
where: short stacking energy: -150.648
Base-Backbone interact. energy: 4.470
local terms energy: -302.277618
where:
bonds (distance) C4'-P energy: -101.392
bonds (distance) P-C4' energy: -94.139
flat angles C4'-P-C4' energy: -86.706
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: 31.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2304.837742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.837742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.837742 (E_RNA)
where:
Base-Base interactions energy: -1601.247
where: short stacking energy: -667.568
Base-Backbone interact. energy: -5.158
local terms energy: -698.433034
where:
bonds (distance) C4'-P energy: -122.374
bonds (distance) P-C4' energy: -140.332
flat angles C4'-P-C4' energy: -146.528
flat angles P-C4'-P energy: -101.886
tors. eta vs tors. theta energy: -187.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2252.857556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.857556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.857556 (E_RNA)
where:
Base-Base interactions energy: -1551.738
where: short stacking energy: -659.761
Base-Backbone interact. energy: -4.553
local terms energy: -696.566446
where:
bonds (distance) C4'-P energy: -124.068
bonds (distance) P-C4' energy: -135.354
flat angles C4'-P-C4' energy: -157.308
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -184.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2127.954710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.954710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.954710 (E_RNA)
where:
Base-Base interactions energy: -1464.479
where: short stacking energy: -624.010
Base-Backbone interact. energy: -3.730
local terms energy: -659.745636
where:
bonds (distance) C4'-P energy: -130.896
bonds (distance) P-C4' energy: -121.369
flat angles C4'-P-C4' energy: -137.818
flat angles P-C4'-P energy: -91.448
tors. eta vs tors. theta energy: -178.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2016.138697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.138697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.138697 (E_RNA)
where:
Base-Base interactions energy: -1394.409
where: short stacking energy: -582.364
Base-Backbone interact. energy: -0.108
local terms energy: -621.621653
where:
bonds (distance) C4'-P energy: -130.406
bonds (distance) P-C4' energy: -109.224
flat angles C4'-P-C4' energy: -132.996
flat angles P-C4'-P energy: -96.184
tors. eta vs tors. theta energy: -152.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1841.410813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.410813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.410813 (E_RNA)
where:
Base-Base interactions energy: -1259.022
where: short stacking energy: -512.124
Base-Backbone interact. energy: 0.463
local terms energy: -582.851305
where:
bonds (distance) C4'-P energy: -106.753
bonds (distance) P-C4' energy: -136.176
flat angles C4'-P-C4' energy: -113.755
flat angles P-C4'-P energy: -84.574
tors. eta vs tors. theta energy: -141.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1571.914053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.914053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.914053 (E_RNA)
where:
Base-Base interactions energy: -1016.978
where: short stacking energy: -473.713
Base-Backbone interact. energy: -1.367
local terms energy: -553.569384
where:
bonds (distance) C4'-P energy: -124.272
bonds (distance) P-C4' energy: -107.694
flat angles C4'-P-C4' energy: -129.594
flat angles P-C4'-P energy: -72.602
tors. eta vs tors. theta energy: -119.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1451.807660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.807660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.807660 (E_RNA)
where:
Base-Base interactions energy: -947.000
where: short stacking energy: -411.214
Base-Backbone interact. energy: -0.363
local terms energy: -504.444505
where:
bonds (distance) C4'-P energy: -121.947
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -113.119
flat angles P-C4'-P energy: -85.322
tors. eta vs tors. theta energy: -75.341
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: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1095.052090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.052090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.052090 (E_RNA)
where:
Base-Base interactions energy: -645.541
where: short stacking energy: -339.574
Base-Backbone interact. energy: 0.280
local terms energy: -449.790158
where:
bonds (distance) C4'-P energy: -104.966
bonds (distance) P-C4' energy: -113.324
flat angles C4'-P-C4' energy: -114.747
flat angles P-C4'-P energy: -66.705
tors. eta vs tors. theta energy: -50.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -782.928270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.928270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.928270 (E_RNA)
where:
Base-Base interactions energy: -413.181
where: short stacking energy: -214.420
Base-Backbone interact. energy: -1.443
local terms energy: -368.304499
where:
bonds (distance) C4'-P energy: -117.401
bonds (distance) P-C4' energy: -106.556
flat angles C4'-P-C4' energy: -82.947
flat angles P-C4'-P energy: -54.508
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -740.021097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.021097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.021097 (E_RNA)
where:
Base-Base interactions energy: -381.715
where: short stacking energy: -219.014
Base-Backbone interact. energy: -0.776
local terms energy: -357.529655
where:
bonds (distance) C4'-P energy: -103.353
bonds (distance) P-C4' energy: -116.353
flat angles C4'-P-C4' energy: -80.726
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -0.500
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: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2337.668593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.668593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.668593 (E_RNA)
where:
Base-Base interactions energy: -1637.809
where: short stacking energy: -666.734
Base-Backbone interact. energy: -2.167
local terms energy: -697.692164
where:
bonds (distance) C4'-P energy: -131.986
bonds (distance) P-C4' energy: -131.290
flat angles C4'-P-C4' energy: -156.506
flat angles P-C4'-P energy: -99.296
tors. eta vs tors. theta energy: -178.614
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: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2249.127270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.127270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.127270 (E_RNA)
where:
Base-Base interactions energy: -1527.015
where: short stacking energy: -658.695
Base-Backbone interact. energy: 0.271
local terms energy: -722.383929
where:
bonds (distance) C4'-P energy: -128.359
bonds (distance) P-C4' energy: -138.179
flat angles C4'-P-C4' energy: -154.601
flat angles P-C4'-P energy: -103.397
tors. eta vs tors. theta energy: -197.848
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: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2131.966690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.966690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.966690 (E_RNA)
where:
Base-Base interactions energy: -1488.970
where: short stacking energy: -650.902
Base-Backbone interact. energy: -2.754
local terms energy: -640.243118
where:
bonds (distance) C4'-P energy: -106.371
bonds (distance) P-C4' energy: -113.073
flat angles C4'-P-C4' energy: -147.911
flat angles P-C4'-P energy: -90.417
tors. eta vs tors. theta energy: -182.470
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: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2012.804094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.804094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.804094 (E_RNA)
where:
Base-Base interactions energy: -1421.410
where: short stacking energy: -585.536
Base-Backbone interact. energy: 0.915
local terms energy: -592.308475
where:
bonds (distance) C4'-P energy: -114.987
bonds (distance) P-C4' energy: -113.677
flat angles C4'-P-C4' energy: -137.296
flat angles P-C4'-P energy: -79.105
tors. eta vs tors. theta energy: -147.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1829.907555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.907555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.907555 (E_RNA)
where:
Base-Base interactions energy: -1247.953
where: short stacking energy: -541.824
Base-Backbone interact. energy: -0.123
local terms energy: -581.832287
where:
bonds (distance) C4'-P energy: -122.412
bonds (distance) P-C4' energy: -124.835
flat angles C4'-P-C4' energy: -111.616
flat angles P-C4'-P energy: -84.814
tors. eta vs tors. theta energy: -138.156
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: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1679.453403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.453403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.453403 (E_RNA)
where:
Base-Base interactions energy: -1117.674
where: short stacking energy: -507.710
Base-Backbone interact. energy: -1.279
local terms energy: -560.500923
where:
bonds (distance) C4'-P energy: -107.407
bonds (distance) P-C4' energy: -112.721
flat angles C4'-P-C4' energy: -130.545
flat angles P-C4'-P energy: -83.354
tors. eta vs tors. theta energy: -126.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1429.734372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.734372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.734372 (E_RNA)
where:
Base-Base interactions energy: -917.579
where: short stacking energy: -401.334
Base-Backbone interact. energy: -1.843
local terms energy: -510.311619
where:
bonds (distance) C4'-P energy: -117.736
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -114.726
flat angles P-C4'-P energy: -83.678
tors. eta vs tors. theta energy: -79.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1209.821936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.821936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.821936 (E_RNA)
where:
Base-Base interactions energy: -764.918
where: short stacking energy: -365.515
Base-Backbone interact. energy: 1.636
local terms energy: -446.539784
where:
bonds (distance) C4'-P energy: -98.499
bonds (distance) P-C4' energy: -111.536
flat angles C4'-P-C4' energy: -106.687
flat angles P-C4'-P energy: -59.531
tors. eta vs tors. theta energy: -70.287
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: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -837.379123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.379123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.379123 (E_RNA)
where:
Base-Base interactions energy: -449.131
where: short stacking energy: -270.421
Base-Backbone interact. energy: -3.351
local terms energy: -384.897176
where:
bonds (distance) C4'-P energy: -97.274
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -107.212
flat angles P-C4'-P energy: -55.979
tors. eta vs tors. theta energy: -27.747
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: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -722.112500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.112500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.112500 (E_RNA)
where:
Base-Base interactions energy: -383.249
where: short stacking energy: -229.129
Base-Backbone interact. energy: 1.847
local terms energy: -340.710926
where:
bonds (distance) C4'-P energy: -99.142
bonds (distance) P-C4' energy: -100.649
flat angles C4'-P-C4' energy: -82.836
flat angles P-C4'-P energy: -49.037
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: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2328.832261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.832261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.832261 (E_RNA)
where:
Base-Base interactions energy: -1630.961
where: short stacking energy: -653.098
Base-Backbone interact. energy: -4.642
local terms energy: -693.229166
where:
bonds (distance) C4'-P energy: -125.539
bonds (distance) P-C4' energy: -140.416
flat angles C4'-P-C4' energy: -145.983
flat angles P-C4'-P energy: -90.212
tors. eta vs tors. theta energy: -191.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2249.418209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.418209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.418209 (E_RNA)
where:
Base-Base interactions energy: -1572.001
where: short stacking energy: -695.183
Base-Backbone interact. energy: -2.210
local terms energy: -675.207720
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -127.487
flat angles C4'-P-C4' energy: -141.761
flat angles P-C4'-P energy: -94.488
tors. eta vs tors. theta energy: -195.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2074.166887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.166887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.166887 (E_RNA)
where:
Base-Base interactions energy: -1414.771
where: short stacking energy: -612.323
Base-Backbone interact. energy: -4.400
local terms energy: -654.996250
where:
bonds (distance) C4'-P energy: -125.820
bonds (distance) P-C4' energy: -125.840
flat angles C4'-P-C4' energy: -138.529
flat angles P-C4'-P energy: -81.895
tors. eta vs tors. theta energy: -182.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2026.284690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.284690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.284690 (E_RNA)
where:
Base-Base interactions energy: -1411.104
where: short stacking energy: -570.675
Base-Backbone interact. energy: -5.047
local terms energy: -610.133014
where:
bonds (distance) C4'-P energy: -112.214
bonds (distance) P-C4' energy: -124.623
flat angles C4'-P-C4' energy: -128.651
flat angles P-C4'-P energy: -99.468
tors. eta vs tors. theta energy: -145.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1851.965963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.965963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.965963 (E_RNA)
where:
Base-Base interactions energy: -1262.771
where: short stacking energy: -555.558
Base-Backbone interact. energy: -1.423
local terms energy: -587.772731
where:
bonds (distance) C4'-P energy: -98.584
bonds (distance) P-C4' energy: -125.152
flat angles C4'-P-C4' energy: -134.268
flat angles P-C4'-P energy: -78.763
tors. eta vs tors. theta energy: -151.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1683.365588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.365588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.365588 (E_RNA)
where:
Base-Base interactions energy: -1133.645
where: short stacking energy: -515.735
Base-Backbone interact. energy: -0.525
local terms energy: -549.195224
where:
bonds (distance) C4'-P energy: -116.269
bonds (distance) P-C4' energy: -112.461
flat angles C4'-P-C4' energy: -117.969
flat angles P-C4'-P energy: -73.410
tors. eta vs tors. theta energy: -129.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1424.993015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.993015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.993015 (E_RNA)
where:
Base-Base interactions energy: -931.284
where: short stacking energy: -413.165
Base-Backbone interact. energy: 0.469
local terms energy: -494.177948
where:
bonds (distance) C4'-P energy: -88.290
bonds (distance) P-C4' energy: -106.963
flat angles C4'-P-C4' energy: -126.997
flat angles P-C4'-P energy: -88.747
tors. eta vs tors. theta energy: -83.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1182.124504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.124504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.124504 (E_RNA)
where:
Base-Base interactions energy: -717.828
where: short stacking energy: -323.072
Base-Backbone interact. energy: 0.568
local terms energy: -464.863636
where:
bonds (distance) C4'-P energy: -111.404
bonds (distance) P-C4' energy: -123.418
flat angles C4'-P-C4' energy: -103.030
flat angles P-C4'-P energy: -65.867
tors. eta vs tors. theta energy: -61.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -812.195658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.195658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.195658 (E_RNA)
where:
Base-Base interactions energy: -437.988
where: short stacking energy: -257.845
Base-Backbone interact. energy: -0.529
local terms energy: -373.678350
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -114.471
flat angles C4'-P-C4' energy: -84.157
flat angles P-C4'-P energy: -46.180
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -723.178434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.178434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.178434 (E_RNA)
where:
Base-Base interactions energy: -354.036
where: short stacking energy: -199.021
Base-Backbone interact. energy: -3.309
local terms energy: -365.832993
where:
bonds (distance) C4'-P energy: -98.905
bonds (distance) P-C4' energy: -128.080
flat angles C4'-P-C4' energy: -72.038
flat angles P-C4'-P energy: -76.565
tors. eta vs tors. theta energy: 9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2331.745133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.745133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.745133 (E_RNA)
where:
Base-Base interactions energy: -1644.812
where: short stacking energy: -702.164
Base-Backbone interact. energy: -3.781
local terms energy: -683.151983
where:
bonds (distance) C4'-P energy: -120.896
bonds (distance) P-C4' energy: -136.172
flat angles C4'-P-C4' energy: -137.147
flat angles P-C4'-P energy: -100.084
tors. eta vs tors. theta energy: -188.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2252.649279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.649279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.649279 (E_RNA)
where:
Base-Base interactions energy: -1547.029
where: short stacking energy: -666.644
Base-Backbone interact. energy: 1.877
local terms energy: -707.497198
where:
bonds (distance) C4'-P energy: -139.467
bonds (distance) P-C4' energy: -131.111
flat angles C4'-P-C4' energy: -141.599
flat angles P-C4'-P energy: -103.111
tors. eta vs tors. theta energy: -192.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2060.431549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.431549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.431549 (E_RNA)
where:
Base-Base interactions energy: -1409.871
where: short stacking energy: -601.744
Base-Backbone interact. energy: -4.387
local terms energy: -646.174302
where:
bonds (distance) C4'-P energy: -128.540
bonds (distance) P-C4' energy: -125.887
flat angles C4'-P-C4' energy: -137.179
flat angles P-C4'-P energy: -87.291
tors. eta vs tors. theta energy: -167.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2002.904555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.904555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.904555 (E_RNA)
where:
Base-Base interactions energy: -1355.286
where: short stacking energy: -580.528
Base-Backbone interact. energy: -3.786
local terms energy: -643.832146
where:
bonds (distance) C4'-P energy: -125.321
bonds (distance) P-C4' energy: -134.489
flat angles C4'-P-C4' energy: -139.618
flat angles P-C4'-P energy: -82.586
tors. eta vs tors. theta energy: -161.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1842.948009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.948009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.948009 (E_RNA)
where:
Base-Base interactions energy: -1245.659
where: short stacking energy: -538.191
Base-Backbone interact. energy: 1.534
local terms energy: -598.822909
where:
bonds (distance) C4'-P energy: -118.524
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -139.205
flat angles P-C4'-P energy: -82.215
tors. eta vs tors. theta energy: -147.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1647.099170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.099170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.099170 (E_RNA)
where:
Base-Base interactions energy: -1094.472
where: short stacking energy: -507.424
Base-Backbone interact. energy: -1.932
local terms energy: -550.695247
where:
bonds (distance) C4'-P energy: -97.881
bonds (distance) P-C4' energy: -120.886
flat angles C4'-P-C4' energy: -125.204
flat angles P-C4'-P energy: -75.306
tors. eta vs tors. theta energy: -131.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1469.696237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.696237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.696237 (E_RNA)
where:
Base-Base interactions energy: -959.080
where: short stacking energy: -424.208
Base-Backbone interact. energy: -3.483
local terms energy: -507.133143
where:
bonds (distance) C4'-P energy: -95.014
bonds (distance) P-C4' energy: -127.614
flat angles C4'-P-C4' energy: -112.685
flat angles P-C4'-P energy: -67.966
tors. eta vs tors. theta energy: -103.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1096.266897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.266897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.266897 (E_RNA)
where:
Base-Base interactions energy: -675.149
where: short stacking energy: -330.012
Base-Backbone interact. energy: -0.710
local terms energy: -420.407838
where:
bonds (distance) C4'-P energy: -93.811
bonds (distance) P-C4' energy: -116.525
flat angles C4'-P-C4' energy: -118.791
flat angles P-C4'-P energy: -37.788
tors. eta vs tors. theta energy: -53.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -841.834287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.834287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.834287 (E_RNA)
where:
Base-Base interactions energy: -445.161
where: short stacking energy: -255.439
Base-Backbone interact. energy: 1.347
local terms energy: -398.020407
where:
bonds (distance) C4'-P energy: -69.539
bonds (distance) P-C4' energy: -114.466
flat angles C4'-P-C4' energy: -104.094
flat angles P-C4'-P energy: -85.855
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -756.443614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.443614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.443614 (E_RNA)
where:
Base-Base interactions energy: -377.824
where: short stacking energy: -206.945
Base-Backbone interact. energy: -0.830
local terms energy: -377.789739
where:
bonds (distance) C4'-P energy: -104.665
bonds (distance) P-C4' energy: -127.510
flat angles C4'-P-C4' energy: -86.848
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2313.631275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.631275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.631275 (E_RNA)
where:
Base-Base interactions energy: -1626.888
where: short stacking energy: -674.264
Base-Backbone interact. energy: 1.727
local terms energy: -688.470919
where:
bonds (distance) C4'-P energy: -129.046
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -144.599
flat angles P-C4'-P energy: -102.670
tors. eta vs tors. theta energy: -185.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2235.743906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.743906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.743906 (E_RNA)
where:
Base-Base interactions energy: -1536.435
where: short stacking energy: -658.328
Base-Backbone interact. energy: -2.100
local terms energy: -697.209302
where:
bonds (distance) C4'-P energy: -138.057
bonds (distance) P-C4' energy: -132.825
flat angles C4'-P-C4' energy: -146.124
flat angles P-C4'-P energy: -83.467
tors. eta vs tors. theta energy: -196.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2099.702948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.702948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.702948 (E_RNA)
where:
Base-Base interactions energy: -1424.896
where: short stacking energy: -606.966
Base-Backbone interact. energy: -7.422
local terms energy: -667.385183
where:
bonds (distance) C4'-P energy: -132.807
bonds (distance) P-C4' energy: -121.413
flat angles C4'-P-C4' energy: -146.671
flat angles P-C4'-P energy: -88.505
tors. eta vs tors. theta energy: -177.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1962.930687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.930687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.930687 (E_RNA)
where:
Base-Base interactions energy: -1350.122
where: short stacking energy: -572.952
Base-Backbone interact. energy: -1.022
local terms energy: -611.786540
where:
bonds (distance) C4'-P energy: -122.096
bonds (distance) P-C4' energy: -126.260
flat angles C4'-P-C4' energy: -127.465
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -141.481
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: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1841.590964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.590964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.590964 (E_RNA)
where:
Base-Base interactions energy: -1245.331
where: short stacking energy: -555.040
Base-Backbone interact. energy: -1.337
local terms energy: -594.923232
where:
bonds (distance) C4'-P energy: -121.424
bonds (distance) P-C4' energy: -109.936
flat angles C4'-P-C4' energy: -132.108
flat angles P-C4'-P energy: -87.414
tors. eta vs tors. theta energy: -144.042
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: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1626.836014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.836014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.836014 (E_RNA)
where:
Base-Base interactions energy: -1065.891
where: short stacking energy: -491.339
Base-Backbone interact. energy: -0.177
local terms energy: -560.768559
where:
bonds (distance) C4'-P energy: -102.686
bonds (distance) P-C4' energy: -117.279
flat angles C4'-P-C4' energy: -124.726
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -137.960
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1438.794999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.794999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.794999 (E_RNA)
where:
Base-Base interactions energy: -941.223
where: short stacking energy: -392.993
Base-Backbone interact. energy: 1.624
local terms energy: -499.195607
where:
bonds (distance) C4'-P energy: -103.983
bonds (distance) P-C4' energy: -104.615
flat angles C4'-P-C4' energy: -122.723
flat angles P-C4'-P energy: -78.830
tors. eta vs tors. theta energy: -89.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -980.917459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.917459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.917459 (E_RNA)
where:
Base-Base interactions energy: -589.662
where: short stacking energy: -263.677
Base-Backbone interact. energy: -0.680
local terms energy: -390.576302
where:
bonds (distance) C4'-P energy: -111.508
bonds (distance) P-C4' energy: -106.142
flat angles C4'-P-C4' energy: -104.010
flat angles P-C4'-P energy: -58.540
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -832.564665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.564665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.564665 (E_RNA)
where:
Base-Base interactions energy: -427.907
where: short stacking energy: -240.993
Base-Backbone interact. energy: 7.268
local terms energy: -411.925354
where:
bonds (distance) C4'-P energy: -112.310
bonds (distance) P-C4' energy: -112.166
flat angles C4'-P-C4' energy: -97.472
flat angles P-C4'-P energy: -62.759
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -750.077526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.077526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.077526 (E_RNA)
where:
Base-Base interactions energy: -396.819
where: short stacking energy: -207.840
Base-Backbone interact. energy: -2.172
local terms energy: -351.086704
where:
bonds (distance) C4'-P energy: -88.282
bonds (distance) P-C4' energy: -119.632
flat angles C4'-P-C4' energy: -70.468
flat angles P-C4'-P energy: -59.831
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2372.671269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.671269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.671269 (E_RNA)
where:
Base-Base interactions energy: -1669.083
where: short stacking energy: -689.210
Base-Backbone interact. energy: -0.854
local terms energy: -702.734208
where:
bonds (distance) C4'-P energy: -133.589
bonds (distance) P-C4' energy: -136.638
flat angles C4'-P-C4' energy: -145.487
flat angles P-C4'-P energy: -90.629
tors. eta vs tors. theta energy: -196.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2251.221261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.221261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.221261 (E_RNA)
where:
Base-Base interactions energy: -1572.070
where: short stacking energy: -686.057
Base-Backbone interact. energy: -1.551
local terms energy: -677.600664
where:
bonds (distance) C4'-P energy: -122.079
bonds (distance) P-C4' energy: -138.869
flat angles C4'-P-C4' energy: -146.851
flat angles P-C4'-P energy: -86.888
tors. eta vs tors. theta energy: -182.913
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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2115.574945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.574945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.574945 (E_RNA)
where:
Base-Base interactions energy: -1442.673
where: short stacking energy: -620.038
Base-Backbone interact. energy: -5.627
local terms energy: -667.275062
where:
bonds (distance) C4'-P energy: -122.430
bonds (distance) P-C4' energy: -133.698
flat angles C4'-P-C4' energy: -141.275
flat angles P-C4'-P energy: -84.220
tors. eta vs tors. theta energy: -185.651
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: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1978.225073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.225073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.225073 (E_RNA)
where:
Base-Base interactions energy: -1363.085
where: short stacking energy: -565.889
Base-Backbone interact. energy: -2.533
local terms energy: -612.607007
where:
bonds (distance) C4'-P energy: -123.645
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -134.932
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -143.781
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1776.956892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.956892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.956892 (E_RNA)
where:
Base-Base interactions energy: -1167.424
where: short stacking energy: -532.114
Base-Backbone interact. energy: -2.660
local terms energy: -606.872811
where:
bonds (distance) C4'-P energy: -132.879
bonds (distance) P-C4' energy: -120.586
flat angles C4'-P-C4' energy: -139.046
flat angles P-C4'-P energy: -71.031
tors. eta vs tors. theta energy: -143.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1664.793190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.793190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.793190 (E_RNA)
where:
Base-Base interactions energy: -1113.438
where: short stacking energy: -508.941
Base-Backbone interact. energy: 1.979
local terms energy: -553.334370
where:
bonds (distance) C4'-P energy: -126.563
bonds (distance) P-C4' energy: -122.140
flat angles C4'-P-C4' energy: -111.932
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -123.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1482.089608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.089608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.089608 (E_RNA)
where:
Base-Base interactions energy: -974.740
where: short stacking energy: -429.878
Base-Backbone interact. energy: -1.413
local terms energy: -505.936901
where:
bonds (distance) C4'-P energy: -103.631
bonds (distance) P-C4' energy: -127.932
flat angles C4'-P-C4' energy: -105.570
flat angles P-C4'-P energy: -76.418
tors. eta vs tors. theta energy: -92.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1070.816812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.816812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.816812 (E_RNA)
where:
Base-Base interactions energy: -664.175
where: short stacking energy: -306.180
Base-Backbone interact. energy: -1.615
local terms energy: -405.027329
where:
bonds (distance) C4'-P energy: -92.270
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -96.628
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -42.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -854.971727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.971727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.971727 (E_RNA)
where:
Base-Base interactions energy: -456.475
where: short stacking energy: -265.701
Base-Backbone interact. energy: 1.880
local terms energy: -400.376530
where:
bonds (distance) C4'-P energy: -119.190
bonds (distance) P-C4' energy: -91.271
flat angles C4'-P-C4' energy: -109.448
flat angles P-C4'-P energy: -58.214
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -774.481294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.481294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.481294 (E_RNA)
where:
Base-Base interactions energy: -394.253
where: short stacking energy: -216.157
Base-Backbone interact. energy: 0.852
local terms energy: -381.079709
where:
bonds (distance) C4'-P energy: -113.388
bonds (distance) P-C4' energy: -110.920
flat angles C4'-P-C4' energy: -86.533
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -24.500
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: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2319.507412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.507412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.507412 (E_RNA)
where:
Base-Base interactions energy: -1643.590
where: short stacking energy: -665.571
Base-Backbone interact. energy: -5.004
local terms energy: -670.913420
where:
bonds (distance) C4'-P energy: -134.178
bonds (distance) P-C4' energy: -125.941
flat angles C4'-P-C4' energy: -134.534
flat angles P-C4'-P energy: -87.979
tors. eta vs tors. theta energy: -188.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2252.819375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.819375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.819375 (E_RNA)
where:
Base-Base interactions energy: -1551.595
where: short stacking energy: -693.680
Base-Backbone interact. energy: -1.389
local terms energy: -699.834684
where:
bonds (distance) C4'-P energy: -123.997
bonds (distance) P-C4' energy: -125.970
flat angles C4'-P-C4' energy: -155.407
flat angles P-C4'-P energy: -94.596
tors. eta vs tors. theta energy: -199.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2120.955367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.955367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.955367 (E_RNA)
where:
Base-Base interactions energy: -1492.683
where: short stacking energy: -623.316
Base-Backbone interact. energy: -0.630
local terms energy: -627.642207
where:
bonds (distance) C4'-P energy: -114.285
bonds (distance) P-C4' energy: -118.996
flat angles C4'-P-C4' energy: -133.768
flat angles P-C4'-P energy: -83.072
tors. eta vs tors. theta energy: -177.521
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: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1973.553905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.553905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.553905 (E_RNA)
where:
Base-Base interactions energy: -1365.900
where: short stacking energy: -587.792
Base-Backbone interact. energy: -3.153
local terms energy: -604.501371
where:
bonds (distance) C4'-P energy: -113.976
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -131.953
flat angles P-C4'-P energy: -91.915
tors. eta vs tors. theta energy: -154.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1816.498919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.498919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.498919 (E_RNA)
where:
Base-Base interactions energy: -1202.863
where: short stacking energy: -523.785
Base-Backbone interact. energy: -1.249
local terms energy: -612.387235
where:
bonds (distance) C4'-P energy: -109.727
bonds (distance) P-C4' energy: -124.644
flat angles C4'-P-C4' energy: -140.683
flat angles P-C4'-P energy: -95.858
tors. eta vs tors. theta energy: -141.476
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: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1609.667955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.667955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.667955 (E_RNA)
where:
Base-Base interactions energy: -1070.739
where: short stacking energy: -451.050
Base-Backbone interact. energy: -2.695
local terms energy: -536.233947
where:
bonds (distance) C4'-P energy: -110.697
bonds (distance) P-C4' energy: -111.714
flat angles C4'-P-C4' energy: -127.212
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -99.582
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: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1470.322978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.322978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.322978 (E_RNA)
where:
Base-Base interactions energy: -963.326
where: short stacking energy: -431.909
Base-Backbone interact. energy: -3.237
local terms energy: -503.760542
where:
bonds (distance) C4'-P energy: -109.645
bonds (distance) P-C4' energy: -104.056
flat angles C4'-P-C4' energy: -108.214
flat angles P-C4'-P energy: -75.220
tors. eta vs tors. theta energy: -106.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1157.003486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.003486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.003486 (E_RNA)
where:
Base-Base interactions energy: -692.027
where: short stacking energy: -323.086
Base-Backbone interact. energy: -2.098
local terms energy: -462.879075
where:
bonds (distance) C4'-P energy: -119.356
bonds (distance) P-C4' energy: -117.649
flat angles C4'-P-C4' energy: -110.382
flat angles P-C4'-P energy: -76.275
tors. eta vs tors. theta energy: -39.217
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: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -789.176065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.176065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.176065 (E_RNA)
where:
Base-Base interactions energy: -408.887
where: short stacking energy: -215.128
Base-Backbone interact. energy: -1.241
local terms energy: -379.048260
where:
bonds (distance) C4'-P energy: -111.959
bonds (distance) P-C4' energy: -113.314
flat angles C4'-P-C4' energy: -102.655
flat angles P-C4'-P energy: -47.108
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -777.588317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.588317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.588317 (E_RNA)
where:
Base-Base interactions energy: -430.004
where: short stacking energy: -252.971
Base-Backbone interact. energy: -1.080
local terms energy: -346.504491
where:
bonds (distance) C4'-P energy: -76.031
bonds (distance) P-C4' energy: -108.619
flat angles C4'-P-C4' energy: -91.331
flat angles P-C4'-P energy: -52.441
tors. eta vs tors. theta energy: -18.082
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: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2314.098445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.098445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.098445 (E_RNA)
where:
Base-Base interactions energy: -1573.187
where: short stacking energy: -694.785
Base-Backbone interact. energy: 1.014
local terms energy: -741.924817
where:
bonds (distance) C4'-P energy: -141.046
bonds (distance) P-C4' energy: -145.403
flat angles C4'-P-C4' energy: -154.409
flat angles P-C4'-P energy: -107.886
tors. eta vs tors. theta energy: -193.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2283.597947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.597947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.597947 (E_RNA)
where:
Base-Base interactions energy: -1598.875
where: short stacking energy: -648.484
Base-Backbone interact. energy: -0.022
local terms energy: -684.700205
where:
bonds (distance) C4'-P energy: -129.036
bonds (distance) P-C4' energy: -132.305
flat angles C4'-P-C4' energy: -151.976
flat angles P-C4'-P energy: -91.984
tors. eta vs tors. theta energy: -179.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2095.815218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.815218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.815218 (E_RNA)
where:
Base-Base interactions energy: -1458.020
where: short stacking energy: -641.078
Base-Backbone interact. energy: -5.348
local terms energy: -632.447292
where:
bonds (distance) C4'-P energy: -103.251
bonds (distance) P-C4' energy: -108.551
flat angles C4'-P-C4' energy: -141.946
flat angles P-C4'-P energy: -90.511
tors. eta vs tors. theta energy: -188.188
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: 208
Temperature: 1.050000
Total energy: -1997.244122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.244122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.244122 (E_RNA)
where:
Base-Base interactions energy: -1394.492
where: short stacking energy: -570.030
Base-Backbone interact. energy: 0.791
local terms energy: -603.542902
where:
bonds (distance) C4'-P energy: -108.066
bonds (distance) P-C4' energy: -126.825
flat angles C4'-P-C4' energy: -130.281
flat angles P-C4'-P energy: -85.131
tors. eta vs tors. theta energy: -153.239
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: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1824.978950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.978950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.978950 (E_RNA)
where:
Base-Base interactions energy: -1230.130
where: short stacking energy: -550.522
Base-Backbone interact. energy: 1.924
local terms energy: -596.773789
where:
bonds (distance) C4'-P energy: -107.995
bonds (distance) P-C4' energy: -114.449
flat angles C4'-P-C4' energy: -129.601
flat angles P-C4'-P energy: -94.139
tors. eta vs tors. theta energy: -150.590
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: 208
Temperature: 1.150000
Total energy: -1579.443154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.443154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.443154 (E_RNA)
where:
Base-Base interactions energy: -1051.252
where: short stacking energy: -445.802
Base-Backbone interact. energy: -1.653
local terms energy: -526.537627
where:
bonds (distance) C4'-P energy: -120.168
bonds (distance) P-C4' energy: -112.822
flat angles C4'-P-C4' energy: -126.160
flat angles P-C4'-P energy: -76.075
tors. eta vs tors. theta energy: -91.313
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: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1431.391175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.391175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.391175 (E_RNA)
where:
Base-Base interactions energy: -898.934
where: short stacking energy: -399.366
Base-Backbone interact. energy: 1.816
local terms energy: -534.272308
where:
bonds (distance) C4'-P energy: -126.795
bonds (distance) P-C4' energy: -118.042
flat angles C4'-P-C4' energy: -120.126
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -97.967
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1137.920498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.920498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.920498 (E_RNA)
where:
Base-Base interactions energy: -702.279
where: short stacking energy: -351.811
Base-Backbone interact. energy: 1.276
local terms energy: -436.917532
where:
bonds (distance) C4'-P energy: -101.827
bonds (distance) P-C4' energy: -117.381
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -53.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -856.854320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.854320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.854320 (E_RNA)
where:
Base-Base interactions energy: -465.870
where: short stacking energy: -269.910
Base-Backbone interact. energy: 3.093
local terms energy: -394.076916
where:
bonds (distance) C4'-P energy: -88.164
bonds (distance) P-C4' energy: -123.917
flat angles C4'-P-C4' energy: -96.684
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -43.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -759.104930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.104930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.104930 (E_RNA)
where:
Base-Base interactions energy: -386.246
where: short stacking energy: -205.751
Base-Backbone interact. energy: -1.244
local terms energy: -371.614232
where:
bonds (distance) C4'-P energy: -99.734
bonds (distance) P-C4' energy: -103.515
flat angles C4'-P-C4' energy: -91.189
flat angles P-C4'-P energy: -70.191
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2314.594495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.594495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.594495 (E_RNA)
where:
Base-Base interactions energy: -1608.142
where: short stacking energy: -682.555
Base-Backbone interact. energy: -2.631
local terms energy: -703.821799
where:
bonds (distance) C4'-P energy: -139.102
bonds (distance) P-C4' energy: -142.102
flat angles C4'-P-C4' energy: -145.132
flat angles P-C4'-P energy: -84.506
tors. eta vs tors. theta energy: -192.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2258.704162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.704162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.704162 (E_RNA)
where:
Base-Base interactions energy: -1556.250
where: short stacking energy: -644.469
Base-Backbone interact. energy: -3.697
local terms energy: -698.757306
where:
bonds (distance) C4'-P energy: -136.704
bonds (distance) P-C4' energy: -131.841
flat angles C4'-P-C4' energy: -156.009
flat angles P-C4'-P energy: -94.286
tors. eta vs tors. theta energy: -179.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2075.395030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.395030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.395030 (E_RNA)
where:
Base-Base interactions energy: -1431.445
where: short stacking energy: -607.523
Base-Backbone interact. energy: -2.685
local terms energy: -641.265281
where:
bonds (distance) C4'-P energy: -121.727
bonds (distance) P-C4' energy: -129.390
flat angles C4'-P-C4' energy: -138.695
flat angles P-C4'-P energy: -88.968
tors. eta vs tors. theta energy: -162.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2010.582520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.582520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.582520 (E_RNA)
where:
Base-Base interactions energy: -1385.796
where: short stacking energy: -539.549
Base-Backbone interact. energy: -4.459
local terms energy: -620.327053
where:
bonds (distance) C4'-P energy: -114.514
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -128.115
flat angles P-C4'-P energy: -93.089
tors. eta vs tors. theta energy: -149.512
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: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1819.204660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.204660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.204660 (E_RNA)
where:
Base-Base interactions energy: -1207.176
where: short stacking energy: -556.198
Base-Backbone interact. energy: -0.999
local terms energy: -611.030000
where:
bonds (distance) C4'-P energy: -120.034
bonds (distance) P-C4' energy: -131.260
flat angles C4'-P-C4' energy: -136.238
flat angles P-C4'-P energy: -71.613
tors. eta vs tors. theta energy: -151.884
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: 209
Temperature: 1.150000
Total energy: -1586.702250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.702250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.702250 (E_RNA)
where:
Base-Base interactions energy: -1038.139
where: short stacking energy: -436.866
Base-Backbone interact. energy: 0.641
local terms energy: -549.204353
where:
bonds (distance) C4'-P energy: -119.928
bonds (distance) P-C4' energy: -114.054
flat angles C4'-P-C4' energy: -133.134
flat angles P-C4'-P energy: -89.129
tors. eta vs tors. theta energy: -92.960
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: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1498.537238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.537238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.537238 (E_RNA)
where:
Base-Base interactions energy: -965.131
where: short stacking energy: -444.473
Base-Backbone interact. energy: -2.012
local terms energy: -531.394448
where:
bonds (distance) C4'-P energy: -101.626
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -120.445
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -107.996
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: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1202.625203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.625203 (E_RNA)
where:
Base-Base interactions energy: -768.815
where: short stacking energy: -363.661
Base-Backbone interact. energy: 2.307
local terms energy: -436.117671
where:
bonds (distance) C4'-P energy: -87.679
bonds (distance) P-C4' energy: -110.866
flat angles C4'-P-C4' energy: -108.828
flat angles P-C4'-P energy: -54.799
tors. eta vs tors. theta energy: -73.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -861.515767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.515767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.515767 (E_RNA)
where:
Base-Base interactions energy: -459.542
where: short stacking energy: -263.318
Base-Backbone interact. energy: 2.013
local terms energy: -403.986161
where:
bonds (distance) C4'-P energy: -89.500
bonds (distance) P-C4' energy: -124.001
flat angles C4'-P-C4' energy: -98.175
flat angles P-C4'-P energy: -56.251
tors. eta vs tors. theta energy: -36.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -749.535792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.535792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.535792 (E_RNA)
where:
Base-Base interactions energy: -382.091
where: short stacking energy: -216.386
Base-Backbone interact. energy: -1.865
local terms energy: -365.579512
where:
bonds (distance) C4'-P energy: -100.307
bonds (distance) P-C4' energy: -112.796
flat angles C4'-P-C4' energy: -85.094
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -3.759
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: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2309.931311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.931311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.931311 (E_RNA)
where:
Base-Base interactions energy: -1612.903
where: short stacking energy: -685.930
Base-Backbone interact. energy: -2.700
local terms energy: -694.328633
where:
bonds (distance) C4'-P energy: -127.629
bonds (distance) P-C4' energy: -116.640
flat angles C4'-P-C4' energy: -154.241
flat angles P-C4'-P energy: -99.054
tors. eta vs tors. theta energy: -196.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2280.021250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.021250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.021250 (E_RNA)
where:
Base-Base interactions energy: -1612.093
where: short stacking energy: -640.498
Base-Backbone interact. energy: -4.631
local terms energy: -663.297324
where:
bonds (distance) C4'-P energy: -130.452
bonds (distance) P-C4' energy: -128.985
flat angles C4'-P-C4' energy: -134.422
flat angles P-C4'-P energy: -95.223
tors. eta vs tors. theta energy: -174.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2090.657092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.657092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.657092 (E_RNA)
where:
Base-Base interactions energy: -1435.803
where: short stacking energy: -595.077
Base-Backbone interact. energy: -2.754
local terms energy: -652.099670
where:
bonds (distance) C4'-P energy: -123.711
bonds (distance) P-C4' energy: -125.008
flat angles C4'-P-C4' energy: -141.954
flat angles P-C4'-P energy: -102.490
tors. eta vs tors. theta energy: -158.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2005.241908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.241908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.241908 (E_RNA)
where:
Base-Base interactions energy: -1379.634
where: short stacking energy: -571.511
Base-Backbone interact. energy: -3.752
local terms energy: -621.855242
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -123.652
flat angles C4'-P-C4' energy: -130.485
flat angles P-C4'-P energy: -90.254
tors. eta vs tors. theta energy: -147.239
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1785.453650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.453650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.453650 (E_RNA)
where:
Base-Base interactions energy: -1216.975
where: short stacking energy: -526.800
Base-Backbone interact. energy: -2.297
local terms energy: -566.181041
where:
bonds (distance) C4'-P energy: -126.548
bonds (distance) P-C4' energy: -116.205
flat angles C4'-P-C4' energy: -109.612
flat angles P-C4'-P energy: -73.702
tors. eta vs tors. theta energy: -140.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1646.892853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.892853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.892853 (E_RNA)
where:
Base-Base interactions energy: -1104.402
where: short stacking energy: -483.965
Base-Backbone interact. energy: 1.460
local terms energy: -543.950758
where:
bonds (distance) C4'-P energy: -119.402
bonds (distance) P-C4' energy: -121.287
flat angles C4'-P-C4' energy: -115.219
flat angles P-C4'-P energy: -73.879
tors. eta vs tors. theta energy: -114.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1427.971603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.971603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.971603 (E_RNA)
where:
Base-Base interactions energy: -897.605
where: short stacking energy: -401.223
Base-Backbone interact. energy: -2.994
local terms energy: -527.372839
where:
bonds (distance) C4'-P energy: -105.324
bonds (distance) P-C4' energy: -115.514
flat angles C4'-P-C4' energy: -128.000
flat angles P-C4'-P energy: -79.727
tors. eta vs tors. theta energy: -98.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1266.503546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.503546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.503546 (E_RNA)
where:
Base-Base interactions energy: -799.128
where: short stacking energy: -349.576
Base-Backbone interact. energy: 2.898
local terms energy: -470.274089
where:
bonds (distance) C4'-P energy: -94.893
bonds (distance) P-C4' energy: -110.543
flat angles C4'-P-C4' energy: -116.982
flat angles P-C4'-P energy: -68.432
tors. eta vs tors. theta energy: -79.424
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: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -883.731376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.731376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.731376 (E_RNA)
where:
Base-Base interactions energy: -469.708
where: short stacking energy: -263.170
Base-Backbone interact. energy: -1.907
local terms energy: -412.116355
where:
bonds (distance) C4'-P energy: -85.114
bonds (distance) P-C4' energy: -108.956
flat angles C4'-P-C4' energy: -128.578
flat angles P-C4'-P energy: -69.854
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -744.049079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.049079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.049079 (E_RNA)
where:
Base-Base interactions energy: -384.314
where: short stacking energy: -207.613
Base-Backbone interact. energy: 0.845
local terms energy: -360.580519
where:
bonds (distance) C4'-P energy: -104.238
bonds (distance) P-C4' energy: -99.063
flat angles C4'-P-C4' energy: -101.083
flat angles P-C4'-P energy: -55.924
tors. eta vs tors. theta energy: -0.273
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: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2359.633343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.633343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.633343 (E_RNA)
where:
Base-Base interactions energy: -1635.833
where: short stacking energy: -709.709
Base-Backbone interact. energy: -5.421
local terms energy: -718.379348
where:
bonds (distance) C4'-P energy: -136.602
bonds (distance) P-C4' energy: -126.790
flat angles C4'-P-C4' energy: -154.511
flat angles P-C4'-P energy: -100.209
tors. eta vs tors. theta energy: -200.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2327.177533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.177533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.177533 (E_RNA)
where:
Base-Base interactions energy: -1659.476
where: short stacking energy: -644.575
Base-Backbone interact. energy: -4.177
local terms energy: -663.524108
where:
bonds (distance) C4'-P energy: -127.799
bonds (distance) P-C4' energy: -126.750
flat angles C4'-P-C4' energy: -144.472
flat angles P-C4'-P energy: -85.147
tors. eta vs tors. theta energy: -179.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2080.884163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.884163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.884163 (E_RNA)
where:
Base-Base interactions energy: -1442.098
where: short stacking energy: -594.850
Base-Backbone interact. energy: 0.442
local terms energy: -639.228090
where:
bonds (distance) C4'-P energy: -113.283
bonds (distance) P-C4' energy: -128.999
flat angles C4'-P-C4' energy: -149.465
flat angles P-C4'-P energy: -86.552
tors. eta vs tors. theta energy: -160.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2019.698538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.698538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.698538 (E_RNA)
where:
Base-Base interactions energy: -1414.008
where: short stacking energy: -586.003
Base-Backbone interact. energy: -1.759
local terms energy: -603.932180
where:
bonds (distance) C4'-P energy: -115.168
bonds (distance) P-C4' energy: -120.000
flat angles C4'-P-C4' energy: -124.189
flat angles P-C4'-P energy: -89.260
tors. eta vs tors. theta energy: -155.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1892.187346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.187346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.187346 (E_RNA)
where:
Base-Base interactions energy: -1282.367
where: short stacking energy: -580.218
Base-Backbone interact. energy: -3.305
local terms energy: -606.515622
where:
bonds (distance) C4'-P energy: -103.273
bonds (distance) P-C4' energy: -134.299
flat angles C4'-P-C4' energy: -129.238
flat angles P-C4'-P energy: -84.050
tors. eta vs tors. theta energy: -155.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1667.981864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.981864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.981864 (E_RNA)
where:
Base-Base interactions energy: -1103.132
where: short stacking energy: -484.585
Base-Backbone interact. energy: 1.417
local terms energy: -566.266052
where:
bonds (distance) C4'-P energy: -107.672
bonds (distance) P-C4' energy: -112.596
flat angles C4'-P-C4' energy: -133.168
flat angles P-C4'-P energy: -79.861
tors. eta vs tors. theta energy: -132.968
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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1488.380229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.380229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.380229 (E_RNA)
where:
Base-Base interactions energy: -979.090
where: short stacking energy: -438.689
Base-Backbone interact. energy: -1.026
local terms energy: -508.265047
where:
bonds (distance) C4'-P energy: -116.085
bonds (distance) P-C4' energy: -101.180
flat angles C4'-P-C4' energy: -115.619
flat angles P-C4'-P energy: -86.186
tors. eta vs tors. theta energy: -89.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1206.172318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.172318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.172318 (E_RNA)
where:
Base-Base interactions energy: -734.643
where: short stacking energy: -357.571
Base-Backbone interact. energy: -0.264
local terms energy: -471.265921
where:
bonds (distance) C4'-P energy: -108.418
bonds (distance) P-C4' energy: -119.779
flat angles C4'-P-C4' energy: -114.309
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -84.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -830.881996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.881996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.881996 (E_RNA)
where:
Base-Base interactions energy: -448.140
where: short stacking energy: -250.234
Base-Backbone interact. energy: -3.021
local terms energy: -379.720818
where:
bonds (distance) C4'-P energy: -111.940
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -114.176
flat angles P-C4'-P energy: -51.235
tors. eta vs tors. theta energy: -18.963
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: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -728.761573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.761573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.761573 (E_RNA)
where:
Base-Base interactions energy: -360.516
where: short stacking energy: -204.299
Base-Backbone interact. energy: 4.401
local terms energy: -372.646785
where:
bonds (distance) C4'-P energy: -100.425
bonds (distance) P-C4' energy: -100.984
flat angles C4'-P-C4' energy: -109.350
flat angles P-C4'-P energy: -70.705
tors. eta vs tors. theta energy: 8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2304.454606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.454606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.454606 (E_RNA)
where:
Base-Base interactions energy: -1620.557
where: short stacking energy: -689.566
Base-Backbone interact. energy: -1.237
local terms energy: -682.660011
where:
bonds (distance) C4'-P energy: -114.329
bonds (distance) P-C4' energy: -120.706
flat angles C4'-P-C4' energy: -146.437
flat angles P-C4'-P energy: -104.223
tors. eta vs tors. theta energy: -196.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2273.865568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.865568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.865568 (E_RNA)
where:
Base-Base interactions energy: -1576.060
where: short stacking energy: -626.652
Base-Backbone interact. energy: -5.459
local terms energy: -692.347076
where:
bonds (distance) C4'-P energy: -124.132
bonds (distance) P-C4' energy: -126.811
flat angles C4'-P-C4' energy: -149.977
flat angles P-C4'-P energy: -109.871
tors. eta vs tors. theta energy: -181.556
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: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2078.741615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.741615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.741615 (E_RNA)
where:
Base-Base interactions energy: -1434.731
where: short stacking energy: -592.438
Base-Backbone interact. energy: -2.998
local terms energy: -641.012434
where:
bonds (distance) C4'-P energy: -120.325
bonds (distance) P-C4' energy: -123.145
flat angles C4'-P-C4' energy: -138.902
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -164.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2041.241635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.241635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.241635 (E_RNA)
where:
Base-Base interactions energy: -1424.672
where: short stacking energy: -606.432
Base-Backbone interact. energy: -0.500
local terms energy: -616.069820
where:
bonds (distance) C4'-P energy: -109.625
bonds (distance) P-C4' energy: -133.916
flat angles C4'-P-C4' energy: -132.864
flat angles P-C4'-P energy: -85.752
tors. eta vs tors. theta energy: -153.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1809.277637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.277637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.277637 (E_RNA)
where:
Base-Base interactions energy: -1251.018
where: short stacking energy: -519.385
Base-Backbone interact. energy: 2.232
local terms energy: -560.490914
where:
bonds (distance) C4'-P energy: -123.772
bonds (distance) P-C4' energy: -114.185
flat angles C4'-P-C4' energy: -121.026
flat angles P-C4'-P energy: -75.442
tors. eta vs tors. theta energy: -126.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1692.608789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.608789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.608789 (E_RNA)
where:
Base-Base interactions energy: -1131.741
where: short stacking energy: -468.471
Base-Backbone interact. energy: -3.979
local terms energy: -556.888635
where:
bonds (distance) C4'-P energy: -125.314
bonds (distance) P-C4' energy: -111.750
flat angles C4'-P-C4' energy: -122.527
flat angles P-C4'-P energy: -81.751
tors. eta vs tors. theta energy: -115.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1520.300610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.300610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.300610 (E_RNA)
where:
Base-Base interactions energy: -1030.229
where: short stacking energy: -463.172
Base-Backbone interact. energy: 0.129
local terms energy: -490.201451
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -111.479
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -73.476
tors. eta vs tors. theta energy: -104.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1181.299683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.299683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.299683 (E_RNA)
where:
Base-Base interactions energy: -773.404
where: short stacking energy: -351.499
Base-Backbone interact. energy: -1.491
local terms energy: -406.404614
where:
bonds (distance) C4'-P energy: -98.405
bonds (distance) P-C4' energy: -91.031
flat angles C4'-P-C4' energy: -96.256
flat angles P-C4'-P energy: -59.661
tors. eta vs tors. theta energy: -61.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -854.309151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.309151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.309151 (E_RNA)
where:
Base-Base interactions energy: -444.779
where: short stacking energy: -257.520
Base-Backbone interact. energy: 6.989
local terms energy: -416.519606
where:
bonds (distance) C4'-P energy: -95.263
bonds (distance) P-C4' energy: -121.103
flat angles C4'-P-C4' energy: -103.667
flat angles P-C4'-P energy: -55.626
tors. eta vs tors. theta energy: -40.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -719.525513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.525513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.525513 (E_RNA)
where:
Base-Base interactions energy: -354.886
where: short stacking energy: -191.093
Base-Backbone interact. energy: 2.583
local terms energy: -367.222346
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -114.642
flat angles C4'-P-C4' energy: -103.436
flat angles P-C4'-P energy: -60.157
tors. eta vs tors. theta energy: 5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2310.907055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.907055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.907055 (E_RNA)
where:
Base-Base interactions energy: -1612.025
where: short stacking energy: -695.317
Base-Backbone interact. energy: 0.370
local terms energy: -699.252189
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -126.037
flat angles C4'-P-C4' energy: -154.011
flat angles P-C4'-P energy: -99.312
tors. eta vs tors. theta energy: -205.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2278.879307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.879307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.879307 (E_RNA)
where:
Base-Base interactions energy: -1610.158
where: short stacking energy: -661.202
Base-Backbone interact. energy: 0.350
local terms energy: -669.072044
where:
bonds (distance) C4'-P energy: -121.992
bonds (distance) P-C4' energy: -129.829
flat angles C4'-P-C4' energy: -146.391
flat angles P-C4'-P energy: -102.060
tors. eta vs tors. theta energy: -168.800
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: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2082.921024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.921024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.921024 (E_RNA)
where:
Base-Base interactions energy: -1446.851
where: short stacking energy: -576.660
Base-Backbone interact. energy: 1.399
local terms energy: -637.468658
where:
bonds (distance) C4'-P energy: -128.302
bonds (distance) P-C4' energy: -128.489
flat angles C4'-P-C4' energy: -133.710
flat angles P-C4'-P energy: -85.825
tors. eta vs tors. theta energy: -161.143
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: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2007.433484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.433484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.433484 (E_RNA)
where:
Base-Base interactions energy: -1387.966
where: short stacking energy: -582.563
Base-Backbone interact. energy: 0.887
local terms energy: -620.354409
where:
bonds (distance) C4'-P energy: -114.136
bonds (distance) P-C4' energy: -111.701
flat angles C4'-P-C4' energy: -136.397
flat angles P-C4'-P energy: -83.105
tors. eta vs tors. theta energy: -175.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1828.366794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.366794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.366794 (E_RNA)
where:
Base-Base interactions energy: -1223.946
where: short stacking energy: -545.021
Base-Backbone interact. energy: 1.167
local terms energy: -605.587099
where:
bonds (distance) C4'-P energy: -128.114
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -133.225
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -140.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1625.382384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.382384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.382384 (E_RNA)
where:
Base-Base interactions energy: -1106.721
where: short stacking energy: -480.199
Base-Backbone interact. energy: -0.115
local terms energy: -518.545575
where:
bonds (distance) C4'-P energy: -99.571
bonds (distance) P-C4' energy: -111.141
flat angles C4'-P-C4' energy: -104.704
flat angles P-C4'-P energy: -81.694
tors. eta vs tors. theta energy: -121.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1486.451247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.451247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.451247 (E_RNA)
where:
Base-Base interactions energy: -986.782
where: short stacking energy: -435.710
Base-Backbone interact. energy: 0.852
local terms energy: -500.521396
where:
bonds (distance) C4'-P energy: -118.123
bonds (distance) P-C4' energy: -102.731
flat angles C4'-P-C4' energy: -121.512
flat angles P-C4'-P energy: -61.740
tors. eta vs tors. theta energy: -96.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1217.878695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.878695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.878695 (E_RNA)
where:
Base-Base interactions energy: -749.912
where: short stacking energy: -359.833
Base-Backbone interact. energy: -1.315
local terms energy: -466.650831
where:
bonds (distance) C4'-P energy: -98.386
bonds (distance) P-C4' energy: -121.210
flat angles C4'-P-C4' energy: -113.831
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -66.140
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: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -867.325480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.325480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.325480 (E_RNA)
where:
Base-Base interactions energy: -489.628
where: short stacking energy: -263.215
Base-Backbone interact. energy: 1.649
local terms energy: -379.346471
where:
bonds (distance) C4'-P energy: -87.393
bonds (distance) P-C4' energy: -119.720
flat angles C4'-P-C4' energy: -99.108
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -674.636923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.636923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.636923 (E_RNA)
where:
Base-Base interactions energy: -324.589
where: short stacking energy: -205.681
Base-Backbone interact. energy: 3.932
local terms energy: -353.979804
where:
bonds (distance) C4'-P energy: -107.899
bonds (distance) P-C4' energy: -110.647
flat angles C4'-P-C4' energy: -82.255
flat angles P-C4'-P energy: -42.828
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2290.587674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.587674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.587674 (E_RNA)
where:
Base-Base interactions energy: -1583.763
where: short stacking energy: -678.872
Base-Backbone interact. energy: -4.539
local terms energy: -702.285928
where:
bonds (distance) C4'-P energy: -126.070
bonds (distance) P-C4' energy: -135.544
flat angles C4'-P-C4' energy: -149.945
flat angles P-C4'-P energy: -95.459
tors. eta vs tors. theta energy: -195.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2290.115980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.115980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.115980 (E_RNA)
where:
Base-Base interactions energy: -1612.496
where: short stacking energy: -656.848
Base-Backbone interact. energy: -5.899
local terms energy: -671.720339
where:
bonds (distance) C4'-P energy: -120.345
bonds (distance) P-C4' energy: -142.378
flat angles C4'-P-C4' energy: -128.872
flat angles P-C4'-P energy: -99.967
tors. eta vs tors. theta energy: -180.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2058.482500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.482500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.482500 (E_RNA)
where:
Base-Base interactions energy: -1428.648
where: short stacking energy: -588.375
Base-Backbone interact. energy: -4.979
local terms energy: -624.855497
where:
bonds (distance) C4'-P energy: -123.309
bonds (distance) P-C4' energy: -124.785
flat angles C4'-P-C4' energy: -140.511
flat angles P-C4'-P energy: -81.432
tors. eta vs tors. theta energy: -154.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2031.912352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.912352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.912352 (E_RNA)
where:
Base-Base interactions energy: -1410.304
where: short stacking energy: -602.267
Base-Backbone interact. energy: 2.420
local terms energy: -624.028065
where:
bonds (distance) C4'-P energy: -132.818
bonds (distance) P-C4' energy: -128.894
flat angles C4'-P-C4' energy: -133.674
flat angles P-C4'-P energy: -69.959
tors. eta vs tors. theta energy: -158.684
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: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1846.787792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.787792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.787792 (E_RNA)
where:
Base-Base interactions energy: -1252.766
where: short stacking energy: -559.457
Base-Backbone interact. energy: -2.577
local terms energy: -591.445052
where:
bonds (distance) C4'-P energy: -95.160
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -139.978
flat angles P-C4'-P energy: -77.199
tors. eta vs tors. theta energy: -158.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1633.888183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.888183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.888183 (E_RNA)
where:
Base-Base interactions energy: -1104.167
where: short stacking energy: -458.573
Base-Backbone interact. energy: 6.328
local terms energy: -536.049411
where:
bonds (distance) C4'-P energy: -119.754
bonds (distance) P-C4' energy: -115.249
flat angles C4'-P-C4' energy: -119.918
flat angles P-C4'-P energy: -79.924
tors. eta vs tors. theta energy: -101.205
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: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1481.151845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.151845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.151845 (E_RNA)
where:
Base-Base interactions energy: -969.250
where: short stacking energy: -409.361
Base-Backbone interact. energy: -2.093
local terms energy: -509.808134
where:
bonds (distance) C4'-P energy: -103.443
bonds (distance) P-C4' energy: -120.001
flat angles C4'-P-C4' energy: -133.921
flat angles P-C4'-P energy: -68.818
tors. eta vs tors. theta energy: -83.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1143.289794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.289794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.289794 (E_RNA)
where:
Base-Base interactions energy: -705.592
where: short stacking energy: -318.677
Base-Backbone interact. energy: -0.356
local terms energy: -437.341724
where:
bonds (distance) C4'-P energy: -104.221
bonds (distance) P-C4' energy: -119.678
flat angles C4'-P-C4' energy: -96.636
flat angles P-C4'-P energy: -71.317
tors. eta vs tors. theta energy: -45.489
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: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -888.505771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.505771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.505771 (E_RNA)
where:
Base-Base interactions energy: -466.612
where: short stacking energy: -247.189
Base-Backbone interact. energy: -0.136
local terms energy: -421.758007
where:
bonds (distance) C4'-P energy: -104.165
bonds (distance) P-C4' energy: -111.142
flat angles C4'-P-C4' energy: -108.536
flat angles P-C4'-P energy: -80.474
tors. eta vs tors. theta energy: -17.441
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: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -682.493173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.493173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.493173 (E_RNA)
where:
Base-Base interactions energy: -315.218
where: short stacking energy: -201.583
Base-Backbone interact. energy: -0.526
local terms energy: -366.748714
where:
bonds (distance) C4'-P energy: -113.359
bonds (distance) P-C4' energy: -104.239
flat angles C4'-P-C4' energy: -89.046
flat angles P-C4'-P energy: -58.631
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2302.138249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.138249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.138249 (E_RNA)
where:
Base-Base interactions energy: -1600.355
where: short stacking energy: -673.075
Base-Backbone interact. energy: -4.173
local terms energy: -697.610349
where:
bonds (distance) C4'-P energy: -127.192
bonds (distance) P-C4' energy: -143.740
flat angles C4'-P-C4' energy: -143.146
flat angles P-C4'-P energy: -98.110
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: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2281.675453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.675453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.675453 (E_RNA)
where:
Base-Base interactions energy: -1596.801
where: short stacking energy: -640.163
Base-Backbone interact. energy: -1.515
local terms energy: -683.360178
where:
bonds (distance) C4'-P energy: -129.662
bonds (distance) P-C4' energy: -118.534
flat angles C4'-P-C4' energy: -147.977
flat angles P-C4'-P energy: -109.456
tors. eta vs tors. theta energy: -177.731
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: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2057.255653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.255653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.255653 (E_RNA)
where:
Base-Base interactions energy: -1411.953
where: short stacking energy: -620.490
Base-Backbone interact. energy: 2.791
local terms energy: -648.094087
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -134.640
flat angles C4'-P-C4' energy: -136.662
flat angles P-C4'-P energy: -86.557
tors. eta vs tors. theta energy: -169.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1997.634217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.634217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.634217 (E_RNA)
where:
Base-Base interactions energy: -1384.924
where: short stacking energy: -591.270
Base-Backbone interact. energy: -3.217
local terms energy: -609.493879
where:
bonds (distance) C4'-P energy: -111.593
bonds (distance) P-C4' energy: -117.831
flat angles C4'-P-C4' energy: -140.602
flat angles P-C4'-P energy: -83.736
tors. eta vs tors. theta energy: -155.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1852.105043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.105043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.105043 (E_RNA)
where:
Base-Base interactions energy: -1231.091
where: short stacking energy: -564.117
Base-Backbone interact. energy: 0.734
local terms energy: -621.748311
where:
bonds (distance) C4'-P energy: -130.968
bonds (distance) P-C4' energy: -122.809
flat angles C4'-P-C4' energy: -138.443
flat angles P-C4'-P energy: -83.098
tors. eta vs tors. theta energy: -146.430
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: 215
Temperature: 1.150000
Total energy: -1669.202339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.202339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.202339 (E_RNA)
where:
Base-Base interactions energy: -1104.293
where: short stacking energy: -452.976
Base-Backbone interact. energy: -2.325
local terms energy: -562.584713
where:
bonds (distance) C4'-P energy: -118.135
bonds (distance) P-C4' energy: -127.287
flat angles C4'-P-C4' energy: -120.427
flat angles P-C4'-P energy: -82.642
tors. eta vs tors. theta energy: -114.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1455.417906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.417906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.417906 (E_RNA)
where:
Base-Base interactions energy: -939.088
where: short stacking energy: -403.488
Base-Backbone interact. energy: 4.437
local terms energy: -520.766877
where:
bonds (distance) C4'-P energy: -104.232
bonds (distance) P-C4' energy: -123.912
flat angles C4'-P-C4' energy: -124.725
flat angles P-C4'-P energy: -72.937
tors. eta vs tors. theta energy: -94.961
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1163.428942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.428942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.428942 (E_RNA)
where:
Base-Base interactions energy: -731.449
where: short stacking energy: -372.460
Base-Backbone interact. energy: -1.085
local terms energy: -430.894932
where:
bonds (distance) C4'-P energy: -102.086
bonds (distance) P-C4' energy: -111.747
flat angles C4'-P-C4' energy: -101.062
flat angles P-C4'-P energy: -53.582
tors. eta vs tors. theta energy: -62.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -962.711858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.711858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.711858 (E_RNA)
where:
Base-Base interactions energy: -550.807
where: short stacking energy: -292.275
Base-Backbone interact. energy: -1.513
local terms energy: -410.391751
where:
bonds (distance) C4'-P energy: -87.699
bonds (distance) P-C4' energy: -110.927
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -60.514
tors. eta vs tors. theta energy: -29.686
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: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -667.208816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.208816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.208816 (E_RNA)
where:
Base-Base interactions energy: -351.760
where: short stacking energy: -209.215
Base-Backbone interact. energy: 6.722
local terms energy: -322.171488
where:
bonds (distance) C4'-P energy: -78.387
bonds (distance) P-C4' energy: -103.497
flat angles C4'-P-C4' energy: -98.301
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: 6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2314.680011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.680011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.680011 (E_RNA)
where:
Base-Base interactions energy: -1591.971
where: short stacking energy: -686.460
Base-Backbone interact. energy: 1.022
local terms energy: -723.731582
where:
bonds (distance) C4'-P energy: -126.571
bonds (distance) P-C4' energy: -144.830
flat angles C4'-P-C4' energy: -152.276
flat angles P-C4'-P energy: -100.692
tors. eta vs tors. theta energy: -199.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2259.278825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.278825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.278825 (E_RNA)
where:
Base-Base interactions energy: -1585.797
where: short stacking energy: -625.400
Base-Backbone interact. energy: -1.581
local terms energy: -671.900657
where:
bonds (distance) C4'-P energy: -122.346
bonds (distance) P-C4' energy: -129.514
flat angles C4'-P-C4' energy: -143.311
flat angles P-C4'-P energy: -93.130
tors. eta vs tors. theta energy: -183.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2061.886961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.886961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.886961 (E_RNA)
where:
Base-Base interactions energy: -1401.084
where: short stacking energy: -584.319
Base-Backbone interact. energy: -2.082
local terms energy: -658.721093
where:
bonds (distance) C4'-P energy: -120.216
bonds (distance) P-C4' energy: -122.283
flat angles C4'-P-C4' energy: -142.986
flat angles P-C4'-P energy: -98.567
tors. eta vs tors. theta energy: -174.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2026.175705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.175705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.175705 (E_RNA)
where:
Base-Base interactions energy: -1408.795
where: short stacking energy: -586.912
Base-Backbone interact. energy: -3.044
local terms energy: -614.336712
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -123.970
flat angles C4'-P-C4' energy: -132.056
flat angles P-C4'-P energy: -92.972
tors. eta vs tors. theta energy: -159.286
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: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1853.103777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.103777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.103777 (E_RNA)
where:
Base-Base interactions energy: -1256.782
where: short stacking energy: -555.601
Base-Backbone interact. energy: 1.561
local terms energy: -597.881927
where:
bonds (distance) C4'-P energy: -118.987
bonds (distance) P-C4' energy: -119.298
flat angles C4'-P-C4' energy: -144.641
flat angles P-C4'-P energy: -70.912
tors. eta vs tors. theta energy: -144.043
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: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1630.536973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.536973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.536973 (E_RNA)
where:
Base-Base interactions energy: -1072.419
where: short stacking energy: -479.755
Base-Backbone interact. energy: 1.332
local terms energy: -559.449853
where:
bonds (distance) C4'-P energy: -119.191
bonds (distance) P-C4' energy: -121.618
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -77.691
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: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1489.374234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.374234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.374234 (E_RNA)
where:
Base-Base interactions energy: -1005.657
where: short stacking energy: -431.210
Base-Backbone interact. energy: -2.131
local terms energy: -481.586776
where:
bonds (distance) C4'-P energy: -83.958
bonds (distance) P-C4' energy: -91.552
flat angles C4'-P-C4' energy: -138.087
flat angles P-C4'-P energy: -79.400
tors. eta vs tors. theta energy: -88.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1250.210453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.210453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.210453 (E_RNA)
where:
Base-Base interactions energy: -809.479
where: short stacking energy: -379.893
Base-Backbone interact. energy: 3.210
local terms energy: -443.940606
where:
bonds (distance) C4'-P energy: -115.827
bonds (distance) P-C4' energy: -99.202
flat angles C4'-P-C4' energy: -101.309
flat angles P-C4'-P energy: -66.056
tors. eta vs tors. theta energy: -61.546
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: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -892.358930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.358930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.358930 (E_RNA)
where:
Base-Base interactions energy: -491.422
where: short stacking energy: -264.511
Base-Backbone interact. energy: 1.488
local terms energy: -402.424875
where:
bonds (distance) C4'-P energy: -98.726
bonds (distance) P-C4' energy: -98.581
flat angles C4'-P-C4' energy: -106.531
flat angles P-C4'-P energy: -49.678
tors. eta vs tors. theta energy: -48.909
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: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -648.713369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.713369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.713369 (E_RNA)
where:
Base-Base interactions energy: -304.865
where: short stacking energy: -183.160
Base-Backbone interact. energy: -1.435
local terms energy: -342.413468
where:
bonds (distance) C4'-P energy: -104.199
bonds (distance) P-C4' energy: -118.202
flat angles C4'-P-C4' energy: -85.953
flat angles P-C4'-P energy: -28.894
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2313.384325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.384325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.384325 (E_RNA)
where:
Base-Base interactions energy: -1599.094
where: short stacking energy: -688.041
Base-Backbone interact. energy: -3.008
local terms energy: -711.283208
where:
bonds (distance) C4'-P energy: -129.842
bonds (distance) P-C4' energy: -140.554
flat angles C4'-P-C4' energy: -145.026
flat angles P-C4'-P energy: -95.222
tors. eta vs tors. theta energy: -200.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2237.639267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.639267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.639267 (E_RNA)
where:
Base-Base interactions energy: -1577.662
where: short stacking energy: -602.303
Base-Backbone interact. energy: -2.772
local terms energy: -657.205822
where:
bonds (distance) C4'-P energy: -121.382
bonds (distance) P-C4' energy: -128.925
flat angles C4'-P-C4' energy: -138.890
flat angles P-C4'-P energy: -97.091
tors. eta vs tors. theta energy: -170.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2110.382969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.382969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.382969 (E_RNA)
where:
Base-Base interactions energy: -1423.977
where: short stacking energy: -602.270
Base-Backbone interact. energy: -2.624
local terms energy: -683.782054
where:
bonds (distance) C4'-P energy: -122.331
bonds (distance) P-C4' energy: -136.762
flat angles C4'-P-C4' energy: -148.072
flat angles P-C4'-P energy: -101.954
tors. eta vs tors. theta energy: -174.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2019.339730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.339730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.339730 (E_RNA)
where:
Base-Base interactions energy: -1411.601
where: short stacking energy: -585.605
Base-Backbone interact. energy: -1.950
local terms energy: -605.789340
where:
bonds (distance) C4'-P energy: -94.463
bonds (distance) P-C4' energy: -122.458
flat angles C4'-P-C4' energy: -130.394
flat angles P-C4'-P energy: -98.104
tors. eta vs tors. theta energy: -160.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1885.190154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.190154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.190154 (E_RNA)
where:
Base-Base interactions energy: -1294.625
where: short stacking energy: -544.306
Base-Backbone interact. energy: -1.086
local terms energy: -589.479344
where:
bonds (distance) C4'-P energy: -113.962
bonds (distance) P-C4' energy: -122.124
flat angles C4'-P-C4' energy: -131.032
flat angles P-C4'-P energy: -84.708
tors. eta vs tors. theta energy: -137.653
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: 217
Temperature: 1.150000
Total energy: -1559.667338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.667338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.667338 (E_RNA)
where:
Base-Base interactions energy: -1056.667
where: short stacking energy: -442.935
Base-Backbone interact. energy: 1.063
local terms energy: -504.063335
where:
bonds (distance) C4'-P energy: -109.711
bonds (distance) P-C4' energy: -120.228
flat angles C4'-P-C4' energy: -114.081
flat angles P-C4'-P energy: -54.985
tors. eta vs tors. theta energy: -105.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1482.756621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.756621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.756621 (E_RNA)
where:
Base-Base interactions energy: -978.170
where: short stacking energy: -433.317
Base-Backbone interact. energy: 4.000
local terms energy: -508.586589
where:
bonds (distance) C4'-P energy: -96.063
bonds (distance) P-C4' energy: -119.847
flat angles C4'-P-C4' energy: -118.867
flat angles P-C4'-P energy: -87.269
tors. eta vs tors. theta energy: -86.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1282.804040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.804040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.804040 (E_RNA)
where:
Base-Base interactions energy: -813.409
where: short stacking energy: -372.837
Base-Backbone interact. energy: -0.157
local terms energy: -469.238875
where:
bonds (distance) C4'-P energy: -113.123
bonds (distance) P-C4' energy: -105.943
flat angles C4'-P-C4' energy: -120.391
flat angles P-C4'-P energy: -59.998
tors. eta vs tors. theta energy: -69.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -872.348522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.348522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.348522 (E_RNA)
where:
Base-Base interactions energy: -511.192
where: short stacking energy: -270.971
Base-Backbone interact. energy: 3.775
local terms energy: -364.931428
where:
bonds (distance) C4'-P energy: -94.990
bonds (distance) P-C4' energy: -114.336
flat angles C4'-P-C4' energy: -82.065
flat angles P-C4'-P energy: -60.773
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -698.267287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.267287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.267287 (E_RNA)
where:
Base-Base interactions energy: -334.375
where: short stacking energy: -214.915
Base-Backbone interact. energy: -2.771
local terms energy: -361.120462
where:
bonds (distance) C4'-P energy: -108.020
bonds (distance) P-C4' energy: -126.656
flat angles C4'-P-C4' energy: -100.052
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: 9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2348.881000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.881000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.881000 (E_RNA)
where:
Base-Base interactions energy: -1622.452
where: short stacking energy: -687.399
Base-Backbone interact. energy: -2.770
local terms energy: -723.659112
where:
bonds (distance) C4'-P energy: -134.041
bonds (distance) P-C4' energy: -134.125
flat angles C4'-P-C4' energy: -150.671
flat angles P-C4'-P energy: -97.411
tors. eta vs tors. theta energy: -207.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2246.012278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.012278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.012278 (E_RNA)
where:
Base-Base interactions energy: -1572.764
where: short stacking energy: -624.084
Base-Backbone interact. energy: -6.177
local terms energy: -667.071061
where:
bonds (distance) C4'-P energy: -129.961
bonds (distance) P-C4' energy: -123.055
flat angles C4'-P-C4' energy: -146.805
flat angles P-C4'-P energy: -88.353
tors. eta vs tors. theta energy: -178.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2095.114270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.114270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.114270 (E_RNA)
where:
Base-Base interactions energy: -1444.463
where: short stacking energy: -608.780
Base-Backbone interact. energy: -3.009
local terms energy: -647.641904
where:
bonds (distance) C4'-P energy: -118.927
bonds (distance) P-C4' energy: -126.776
flat angles C4'-P-C4' energy: -139.598
flat angles P-C4'-P energy: -91.957
tors. eta vs tors. theta energy: -170.384
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: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2024.510689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.510689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.510689 (E_RNA)
where:
Base-Base interactions energy: -1406.087
where: short stacking energy: -607.601
Base-Backbone interact. energy: 1.514
local terms energy: -619.938029
where:
bonds (distance) C4'-P energy: -106.371
bonds (distance) P-C4' energy: -111.951
flat angles C4'-P-C4' energy: -138.173
flat angles P-C4'-P energy: -92.760
tors. eta vs tors. theta energy: -170.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1885.657203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.657203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.657203 (E_RNA)
where:
Base-Base interactions energy: -1278.235
where: short stacking energy: -540.067
Base-Backbone interact. energy: -1.777
local terms energy: -605.644838
where:
bonds (distance) C4'-P energy: -119.836
bonds (distance) P-C4' energy: -118.436
flat angles C4'-P-C4' energy: -134.644
flat angles P-C4'-P energy: -78.937
tors. eta vs tors. theta energy: -153.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1625.058009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.058009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.058009 (E_RNA)
where:
Base-Base interactions energy: -1098.033
where: short stacking energy: -461.681
Base-Backbone interact. energy: -0.603
local terms energy: -526.422675
where:
bonds (distance) C4'-P energy: -102.231
bonds (distance) P-C4' energy: -101.485
flat angles C4'-P-C4' energy: -123.596
flat angles P-C4'-P energy: -68.847
tors. eta vs tors. theta energy: -130.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1522.766080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.766080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.766080 (E_RNA)
where:
Base-Base interactions energy: -962.728
where: short stacking energy: -441.609
Base-Backbone interact. energy: -2.110
local terms energy: -557.927830
where:
bonds (distance) C4'-P energy: -114.908
bonds (distance) P-C4' energy: -106.724
flat angles C4'-P-C4' energy: -136.571
flat angles P-C4'-P energy: -83.321
tors. eta vs tors. theta energy: -116.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1248.050398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.050398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.050398 (E_RNA)
where:
Base-Base interactions energy: -806.651
where: short stacking energy: -367.580
Base-Backbone interact. energy: -2.643
local terms energy: -438.756755
where:
bonds (distance) C4'-P energy: -101.093
bonds (distance) P-C4' energy: -113.849
flat angles C4'-P-C4' energy: -110.718
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -63.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -824.934819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.934819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.934819 (E_RNA)
where:
Base-Base interactions energy: -413.305
where: short stacking energy: -213.462
Base-Backbone interact. energy: -1.393
local terms energy: -410.236735
where:
bonds (distance) C4'-P energy: -109.883
bonds (distance) P-C4' energy: -112.656
flat angles C4'-P-C4' energy: -106.849
flat angles P-C4'-P energy: -83.560
tors. eta vs tors. theta energy: 2.711
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: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -715.627597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.627597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.627597 (E_RNA)
where:
Base-Base interactions energy: -367.910
where: short stacking energy: -231.177
Base-Backbone interact. energy: 6.086
local terms energy: -353.804106
where:
bonds (distance) C4'-P energy: -89.086
bonds (distance) P-C4' energy: -99.102
flat angles C4'-P-C4' energy: -103.743
flat angles P-C4'-P energy: -62.406
tors. eta vs tors. theta energy: 0.533
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: 8
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2337.033329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.033329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.033329 (E_RNA)
where:
Base-Base interactions energy: -1597.658
where: short stacking energy: -690.738
Base-Backbone interact. energy: -4.072
local terms energy: -735.303478
where:
bonds (distance) C4'-P energy: -135.793
bonds (distance) P-C4' energy: -138.716
flat angles C4'-P-C4' energy: -157.148
flat angles P-C4'-P energy: -103.735
tors. eta vs tors. theta energy: -199.911
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2253.546936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.546936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.546936 (E_RNA)
where:
Base-Base interactions energy: -1561.204
where: short stacking energy: -638.454
Base-Backbone interact. energy: -2.269
local terms energy: -690.073644
where:
bonds (distance) C4'-P energy: -133.634
bonds (distance) P-C4' energy: -127.372
flat angles C4'-P-C4' energy: -142.085
flat angles P-C4'-P energy: -106.983
tors. eta vs tors. theta energy: -180.000
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2072.747697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.747697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.747697 (E_RNA)
where:
Base-Base interactions energy: -1413.020
where: short stacking energy: -610.086
Base-Backbone interact. energy: 4.453
local terms energy: -664.180279
where:
bonds (distance) C4'-P energy: -124.462
bonds (distance) P-C4' energy: -131.348
flat angles C4'-P-C4' energy: -136.993
flat angles P-C4'-P energy: -99.185
tors. eta vs tors. theta energy: -172.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2062.797939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.797939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.797939 (E_RNA)
where:
Base-Base interactions energy: -1420.898
where: short stacking energy: -629.483
Base-Backbone interact. energy: -4.660
local terms energy: -637.239974
where:
bonds (distance) C4'-P energy: -108.679
bonds (distance) P-C4' energy: -129.246
flat angles C4'-P-C4' energy: -140.376
flat angles P-C4'-P energy: -88.588
tors. eta vs tors. theta energy: -170.353
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1910.847733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.847733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.847733 (E_RNA)
where:
Base-Base interactions energy: -1294.829
where: short stacking energy: -546.963
Base-Backbone interact. energy: 3.115
local terms energy: -619.133338
where:
bonds (distance) C4'-P energy: -114.541
bonds (distance) P-C4' energy: -129.202
flat angles C4'-P-C4' energy: -127.819
flat angles P-C4'-P energy: -83.648
tors. eta vs tors. theta energy: -163.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1622.330951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.330951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.330951 (E_RNA)
where:
Base-Base interactions energy: -1068.637
where: short stacking energy: -451.026
Base-Backbone interact. energy: 0.094
local terms energy: -553.788109
where:
bonds (distance) C4'-P energy: -126.468
bonds (distance) P-C4' energy: -117.456
flat angles C4'-P-C4' energy: -130.618
flat angles P-C4'-P energy: -74.304
tors. eta vs tors. theta energy: -104.942
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: 219
Temperature: 1.200000
Total energy: -1413.479186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.479186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.479186 (E_RNA)
where:
Base-Base interactions energy: -903.742
where: short stacking energy: -381.390
Base-Backbone interact. energy: -0.922
local terms energy: -508.815611
where:
bonds (distance) C4'-P energy: -118.152
bonds (distance) P-C4' energy: -115.412
flat angles C4'-P-C4' energy: -122.088
flat angles P-C4'-P energy: -72.806
tors. eta vs tors. theta energy: -80.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1282.881802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.881802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.881802 (E_RNA)
where:
Base-Base interactions energy: -818.981
where: short stacking energy: -363.933
Base-Backbone interact. energy: -0.186
local terms energy: -463.714788
where:
bonds (distance) C4'-P energy: -88.147
bonds (distance) P-C4' energy: -128.409
flat angles C4'-P-C4' energy: -116.905
flat angles P-C4'-P energy: -58.593
tors. eta vs tors. theta energy: -71.661
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: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -797.634461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.634461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.634461 (E_RNA)
where:
Base-Base interactions energy: -430.617
where: short stacking energy: -238.997
Base-Backbone interact. energy: -2.011
local terms energy: -365.007025
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -128.650
flat angles C4'-P-C4' energy: -83.073
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -713.948909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.948909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.948909 (E_RNA)
where:
Base-Base interactions energy: -333.520
where: short stacking energy: -208.754
Base-Backbone interact. energy: 2.778
local terms energy: -383.206898
where:
bonds (distance) C4'-P energy: -107.930
bonds (distance) P-C4' energy: -107.261
flat angles C4'-P-C4' energy: -108.629
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2332.881399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.881399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.881399 (E_RNA)
where:
Base-Base interactions energy: -1605.798
where: short stacking energy: -668.793
Base-Backbone interact. energy: -0.682
local terms energy: -726.401814
where:
bonds (distance) C4'-P energy: -139.502
bonds (distance) P-C4' energy: -138.196
flat angles C4'-P-C4' energy: -143.016
flat angles P-C4'-P energy: -105.706
tors. eta vs tors. theta energy: -199.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2238.305918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.305918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.305918 (E_RNA)
where:
Base-Base interactions energy: -1547.812
where: short stacking energy: -652.576
Base-Backbone interact. energy: -2.438
local terms energy: -688.055406
where:
bonds (distance) C4'-P energy: -133.398
bonds (distance) P-C4' energy: -126.896
flat angles C4'-P-C4' energy: -147.493
flat angles P-C4'-P energy: -93.075
tors. eta vs tors. theta energy: -187.194
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2033.258196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.258196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.258196 (E_RNA)
where:
Base-Base interactions energy: -1382.370
where: short stacking energy: -586.803
Base-Backbone interact. energy: 0.494
local terms energy: -651.382471
where:
bonds (distance) C4'-P energy: -111.823
bonds (distance) P-C4' energy: -121.702
flat angles C4'-P-C4' energy: -137.371
flat angles P-C4'-P energy: -110.377
tors. eta vs tors. theta energy: -170.110
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: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2028.439326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.439326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.439326 (E_RNA)
where:
Base-Base interactions energy: -1394.027
where: short stacking energy: -567.764
Base-Backbone interact. energy: 0.793
local terms energy: -635.205329
where:
bonds (distance) C4'-P energy: -113.566
bonds (distance) P-C4' energy: -125.076
flat angles C4'-P-C4' energy: -132.683
flat angles P-C4'-P energy: -93.940
tors. eta vs tors. theta energy: -169.940
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: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1940.873638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.873638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.873638 (E_RNA)
where:
Base-Base interactions energy: -1303.290
where: short stacking energy: -569.560
Base-Backbone interact. energy: -4.407
local terms energy: -633.176512
where:
bonds (distance) C4'-P energy: -110.185
bonds (distance) P-C4' energy: -127.421
flat angles C4'-P-C4' energy: -138.976
flat angles P-C4'-P energy: -93.488
tors. eta vs tors. theta energy: -163.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1579.637418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.637418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.637418 (E_RNA)
where:
Base-Base interactions energy: -1039.725
where: short stacking energy: -449.240
Base-Backbone interact. energy: -4.303
local terms energy: -535.609423
where:
bonds (distance) C4'-P energy: -121.664
bonds (distance) P-C4' energy: -110.317
flat angles C4'-P-C4' energy: -132.565
flat angles P-C4'-P energy: -64.836
tors. eta vs tors. theta energy: -106.228
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: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1477.194298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.194298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.194298 (E_RNA)
where:
Base-Base interactions energy: -964.827
where: short stacking energy: -428.791
Base-Backbone interact. energy: 0.829
local terms energy: -513.196250
where:
bonds (distance) C4'-P energy: -118.768
bonds (distance) P-C4' energy: -108.931
flat angles C4'-P-C4' energy: -127.285
flat angles P-C4'-P energy: -65.987
tors. eta vs tors. theta energy: -92.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1207.697028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.697028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.697028 (E_RNA)
where:
Base-Base interactions energy: -765.276
where: short stacking energy: -341.836
Base-Backbone interact. energy: -0.775
local terms energy: -441.645579
where:
bonds (distance) C4'-P energy: -95.480
bonds (distance) P-C4' energy: -127.059
flat angles C4'-P-C4' energy: -106.116
flat angles P-C4'-P energy: -48.556
tors. eta vs tors. theta energy: -64.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -832.838199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.838199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.838199 (E_RNA)
where:
Base-Base interactions energy: -443.910
where: short stacking energy: -251.782
Base-Backbone interact. energy: 2.468
local terms energy: -391.396748
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -111.037
flat angles C4'-P-C4' energy: -116.349
flat angles P-C4'-P energy: -56.790
tors. eta vs tors. theta energy: -1.397
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: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -679.430849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.430849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.430849 (E_RNA)
where:
Base-Base interactions energy: -335.948
where: short stacking energy: -197.751
Base-Backbone interact. energy: -2.682
local terms energy: -340.801163
where:
bonds (distance) C4'-P energy: -99.499
bonds (distance) P-C4' energy: -115.876
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: 6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2331.106501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.106501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.106501 (E_RNA)
where:
Base-Base interactions energy: -1593.162
where: short stacking energy: -695.585
Base-Backbone interact. energy: 0.058
local terms energy: -738.002571
where:
bonds (distance) C4'-P energy: -140.647
bonds (distance) P-C4' energy: -148.845
flat angles C4'-P-C4' energy: -146.500
flat angles P-C4'-P energy: -100.375
tors. eta vs tors. theta energy: -201.636
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: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2215.316137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.316137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.316137 (E_RNA)
where:
Base-Base interactions energy: -1562.063
where: short stacking energy: -634.330
Base-Backbone interact. energy: 1.703
local terms energy: -654.956071
where:
bonds (distance) C4'-P energy: -130.016
bonds (distance) P-C4' energy: -117.751
flat angles C4'-P-C4' energy: -139.210
flat angles P-C4'-P energy: -97.076
tors. eta vs tors. theta energy: -170.903
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2057.396221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.396221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.396221 (E_RNA)
where:
Base-Base interactions energy: -1389.460
where: short stacking energy: -594.205
Base-Backbone interact. energy: -4.903
local terms energy: -663.033180
where:
bonds (distance) C4'-P energy: -126.069
bonds (distance) P-C4' energy: -123.170
flat angles C4'-P-C4' energy: -147.393
flat angles P-C4'-P energy: -89.068
tors. eta vs tors. theta energy: -177.333
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: 221
Temperature: 1.050000
Total energy: -2067.949240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.949240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.949240 (E_RNA)
where:
Base-Base interactions energy: -1420.925
where: short stacking energy: -567.900
Base-Backbone interact. energy: -3.952
local terms energy: -643.072238
where:
bonds (distance) C4'-P energy: -126.763
bonds (distance) P-C4' energy: -125.990
flat angles C4'-P-C4' energy: -132.628
flat angles P-C4'-P energy: -94.001
tors. eta vs tors. theta energy: -163.690
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: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1914.746483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.746483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.746483 (E_RNA)
where:
Base-Base interactions energy: -1321.454
where: short stacking energy: -588.458
Base-Backbone interact. energy: -1.529
local terms energy: -591.763238
where:
bonds (distance) C4'-P energy: -107.047
bonds (distance) P-C4' energy: -114.741
flat angles C4'-P-C4' energy: -132.201
flat angles P-C4'-P energy: -80.494
tors. eta vs tors. theta energy: -157.280
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: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1627.094108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.094108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.094108 (E_RNA)
where:
Base-Base interactions energy: -1076.637
where: short stacking energy: -483.940
Base-Backbone interact. energy: -3.203
local terms energy: -547.253331
where:
bonds (distance) C4'-P energy: -100.877
bonds (distance) P-C4' energy: -119.033
flat angles C4'-P-C4' energy: -129.292
flat angles P-C4'-P energy: -80.328
tors. eta vs tors. theta energy: -117.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1460.933080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.933080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.933080 (E_RNA)
where:
Base-Base interactions energy: -923.979
where: short stacking energy: -412.027
Base-Backbone interact. energy: -3.193
local terms energy: -533.761485
where:
bonds (distance) C4'-P energy: -102.737
bonds (distance) P-C4' energy: -122.879
flat angles C4'-P-C4' energy: -131.838
flat angles P-C4'-P energy: -77.180
tors. eta vs tors. theta energy: -99.127
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1249.795320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.795320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.795320 (E_RNA)
where:
Base-Base interactions energy: -786.864
where: short stacking energy: -370.615
Base-Backbone interact. energy: -1.249
local terms energy: -461.682127
where:
bonds (distance) C4'-P energy: -99.108
bonds (distance) P-C4' energy: -108.434
flat angles C4'-P-C4' energy: -123.220
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -70.019
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: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -778.555858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.555858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.555858 (E_RNA)
where:
Base-Base interactions energy: -416.600
where: short stacking energy: -232.949
Base-Backbone interact. energy: 3.468
local terms energy: -365.423283
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -109.506
flat angles C4'-P-C4' energy: -95.287
flat angles P-C4'-P energy: -61.147
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -596.551231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.551231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.551231 (E_RNA)
where:
Base-Base interactions energy: -265.568
where: short stacking energy: -155.885
Base-Backbone interact. energy: -0.023
local terms energy: -330.959928
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -111.811
flat angles C4'-P-C4' energy: -97.922
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: 23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2311.464065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.464065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.464065 (E_RNA)
where:
Base-Base interactions energy: -1601.811
where: short stacking energy: -679.843
Base-Backbone interact. energy: -3.494
local terms energy: -706.159804
where:
bonds (distance) C4'-P energy: -122.903
bonds (distance) P-C4' energy: -132.132
flat angles C4'-P-C4' energy: -151.032
flat angles P-C4'-P energy: -104.428
tors. eta vs tors. theta energy: -195.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2237.468418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.468418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.468418 (E_RNA)
where:
Base-Base interactions energy: -1564.229
where: short stacking energy: -638.685
Base-Backbone interact. energy: -2.639
local terms energy: -670.600099
where:
bonds (distance) C4'-P energy: -128.971
bonds (distance) P-C4' energy: -122.421
flat angles C4'-P-C4' energy: -143.806
flat angles P-C4'-P energy: -100.564
tors. eta vs tors. theta energy: -174.838
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2080.053322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.053322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.053322 (E_RNA)
where:
Base-Base interactions energy: -1431.895
where: short stacking energy: -596.443
Base-Backbone interact. energy: -5.374
local terms energy: -642.784522
where:
bonds (distance) C4'-P energy: -115.478
bonds (distance) P-C4' energy: -129.845
flat angles C4'-P-C4' energy: -133.337
flat angles P-C4'-P energy: -92.976
tors. eta vs tors. theta energy: -171.149
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: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1993.265339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.265339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.265339 (E_RNA)
where:
Base-Base interactions energy: -1364.891
where: short stacking energy: -566.623
Base-Backbone interact. energy: -2.151
local terms energy: -626.223510
where:
bonds (distance) C4'-P energy: -134.535
bonds (distance) P-C4' energy: -117.790
flat angles C4'-P-C4' energy: -122.480
flat angles P-C4'-P energy: -85.677
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: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1915.310357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.310357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.310357 (E_RNA)
where:
Base-Base interactions energy: -1308.025
where: short stacking energy: -576.532
Base-Backbone interact. energy: -1.214
local terms energy: -606.071767
where:
bonds (distance) C4'-P energy: -115.703
bonds (distance) P-C4' energy: -126.896
flat angles C4'-P-C4' energy: -128.433
flat angles P-C4'-P energy: -81.973
tors. eta vs tors. theta energy: -153.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1604.878885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.878885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.878885 (E_RNA)
where:
Base-Base interactions energy: -1068.404
where: short stacking energy: -449.555
Base-Backbone interact. energy: 4.231
local terms energy: -540.705760
where:
bonds (distance) C4'-P energy: -109.045
bonds (distance) P-C4' energy: -126.420
flat angles C4'-P-C4' energy: -123.881
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: -111.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1456.005821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.005821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.005821 (E_RNA)
where:
Base-Base interactions energy: -960.599
where: short stacking energy: -444.515
Base-Backbone interact. energy: -1.109
local terms energy: -494.298099
where:
bonds (distance) C4'-P energy: -104.577
bonds (distance) P-C4' energy: -108.903
flat angles C4'-P-C4' energy: -119.718
flat angles P-C4'-P energy: -64.629
tors. eta vs tors. theta energy: -96.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1180.352070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.352070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.352070 (E_RNA)
where:
Base-Base interactions energy: -733.379
where: short stacking energy: -340.027
Base-Backbone interact. energy: 4.202
local terms energy: -451.174988
where:
bonds (distance) C4'-P energy: -108.524
bonds (distance) P-C4' energy: -118.870
flat angles C4'-P-C4' energy: -104.007
flat angles P-C4'-P energy: -75.466
tors. eta vs tors. theta energy: -44.308
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: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -812.300319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.300319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.300319 (E_RNA)
where:
Base-Base interactions energy: -411.741
where: short stacking energy: -249.025
Base-Backbone interact. energy: -1.001
local terms energy: -399.558262
where:
bonds (distance) C4'-P energy: -116.624
bonds (distance) P-C4' energy: -107.710
flat angles C4'-P-C4' energy: -99.147
flat angles P-C4'-P energy: -54.106
tors. eta vs tors. theta energy: -21.972
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: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -614.714394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.714394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.714394 (E_RNA)
where:
Base-Base interactions energy: -257.481
where: short stacking energy: -175.898
Base-Backbone interact. energy: 1.672
local terms energy: -358.905785
where:
bonds (distance) C4'-P energy: -108.233
bonds (distance) P-C4' energy: -119.069
flat angles C4'-P-C4' energy: -98.825
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: 11.231
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: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2315.421817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.421817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.421817 (E_RNA)
where:
Base-Base interactions energy: -1597.036
where: short stacking energy: -672.463
Base-Backbone interact. energy: -5.004
local terms energy: -713.381417
where:
bonds (distance) C4'-P energy: -145.853
bonds (distance) P-C4' energy: -122.998
flat angles C4'-P-C4' energy: -154.249
flat angles P-C4'-P energy: -95.510
tors. eta vs tors. theta energy: -194.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2226.302888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.302888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.302888 (E_RNA)
where:
Base-Base interactions energy: -1557.328
where: short stacking energy: -639.349
Base-Backbone interact. energy: -4.273
local terms energy: -664.701974
where:
bonds (distance) C4'-P energy: -113.839
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -150.129
flat angles P-C4'-P energy: -98.790
tors. eta vs tors. theta energy: -183.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2095.920402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.920402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.920402 (E_RNA)
where:
Base-Base interactions energy: -1433.085
where: short stacking energy: -593.311
Base-Backbone interact. energy: -1.241
local terms energy: -661.595339
where:
bonds (distance) C4'-P energy: -133.652
bonds (distance) P-C4' energy: -128.238
flat angles C4'-P-C4' energy: -135.782
flat angles P-C4'-P energy: -96.811
tors. eta vs tors. theta energy: -167.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2038.406697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.406697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.406697 (E_RNA)
where:
Base-Base interactions energy: -1390.367
where: short stacking energy: -579.177
Base-Backbone interact. energy: -4.798
local terms energy: -643.241561
where:
bonds (distance) C4'-P energy: -115.919
bonds (distance) P-C4' energy: -126.492
flat angles C4'-P-C4' energy: -142.063
flat angles P-C4'-P energy: -93.562
tors. eta vs tors. theta energy: -165.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1943.796113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.796113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.796113 (E_RNA)
where:
Base-Base interactions energy: -1346.842
where: short stacking energy: -580.169
Base-Backbone interact. energy: -3.079
local terms energy: -593.875008
where:
bonds (distance) C4'-P energy: -109.277
bonds (distance) P-C4' energy: -119.215
flat angles C4'-P-C4' energy: -124.811
flat angles P-C4'-P energy: -91.693
tors. eta vs tors. theta energy: -148.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1611.841288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.841288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.841288 (E_RNA)
where:
Base-Base interactions energy: -1079.254
where: short stacking energy: -450.015
Base-Backbone interact. energy: -3.071
local terms energy: -529.516458
where:
bonds (distance) C4'-P energy: -112.187
bonds (distance) P-C4' energy: -115.712
flat angles C4'-P-C4' energy: -120.769
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -100.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1399.209086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.209086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.209086 (E_RNA)
where:
Base-Base interactions energy: -889.290
where: short stacking energy: -365.078
Base-Backbone interact. energy: 4.441
local terms energy: -514.359688
where:
bonds (distance) C4'-P energy: -113.260
bonds (distance) P-C4' energy: -118.474
flat angles C4'-P-C4' energy: -129.182
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -75.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1202.463477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.463477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.463477 (E_RNA)
where:
Base-Base interactions energy: -713.484
where: short stacking energy: -335.258
Base-Backbone interact. energy: -1.408
local terms energy: -487.571535
where:
bonds (distance) C4'-P energy: -110.352
bonds (distance) P-C4' energy: -118.170
flat angles C4'-P-C4' energy: -122.581
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -57.382
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: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -843.205297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.205297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.205297 (E_RNA)
where:
Base-Base interactions energy: -456.317
where: short stacking energy: -259.515
Base-Backbone interact. energy: 3.546
local terms energy: -390.434570
where:
bonds (distance) C4'-P energy: -114.012
bonds (distance) P-C4' energy: -114.211
flat angles C4'-P-C4' energy: -90.848
flat angles P-C4'-P energy: -59.643
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -666.976724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.976724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.976724 (E_RNA)
where:
Base-Base interactions energy: -296.253
where: short stacking energy: -199.092
Base-Backbone interact. energy: -2.849
local terms energy: -367.874474
where:
bonds (distance) C4'-P energy: -105.407
bonds (distance) P-C4' energy: -114.837
flat angles C4'-P-C4' energy: -100.742
flat angles P-C4'-P energy: -53.300
tors. eta vs tors. theta energy: 6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2332.337903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.337903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.337903 (E_RNA)
where:
Base-Base interactions energy: -1605.098
where: short stacking energy: -674.650
Base-Backbone interact. energy: -3.282
local terms energy: -723.957848
where:
bonds (distance) C4'-P energy: -133.679
bonds (distance) P-C4' energy: -134.870
flat angles C4'-P-C4' energy: -160.340
flat angles P-C4'-P energy: -103.213
tors. eta vs tors. theta energy: -191.855
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: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2201.931683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.931683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.931683 (E_RNA)
where:
Base-Base interactions energy: -1516.366
where: short stacking energy: -620.564
Base-Backbone interact. energy: -2.343
local terms energy: -683.222676
where:
bonds (distance) C4'-P energy: -121.687
bonds (distance) P-C4' energy: -138.755
flat angles C4'-P-C4' energy: -153.148
flat angles P-C4'-P energy: -98.965
tors. eta vs tors. theta energy: -170.668
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2111.782068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.782068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.782068 (E_RNA)
where:
Base-Base interactions energy: -1442.657
where: short stacking energy: -607.888
Base-Backbone interact. energy: -4.457
local terms energy: -664.668486
where:
bonds (distance) C4'-P energy: -115.664
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -143.763
flat angles P-C4'-P energy: -96.911
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1995.412105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.412105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.412105 (E_RNA)
where:
Base-Base interactions energy: -1377.019
where: short stacking energy: -566.390
Base-Backbone interact. energy: -0.280
local terms energy: -618.113086
where:
bonds (distance) C4'-P energy: -106.209
bonds (distance) P-C4' energy: -129.530
flat angles C4'-P-C4' energy: -139.083
flat angles P-C4'-P energy: -80.666
tors. eta vs tors. theta energy: -162.625
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: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1925.596802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.596802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.596802 (E_RNA)
where:
Base-Base interactions energy: -1346.612
where: short stacking energy: -565.126
Base-Backbone interact. energy: -2.584
local terms energy: -576.401207
where:
bonds (distance) C4'-P energy: -102.092
bonds (distance) P-C4' energy: -126.406
flat angles C4'-P-C4' energy: -125.100
flat angles P-C4'-P energy: -67.979
tors. eta vs tors. theta energy: -154.824
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: 224
Temperature: 1.150000
Total energy: -1621.643781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.643781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.643781 (E_RNA)
where:
Base-Base interactions energy: -1087.709
where: short stacking energy: -490.689
Base-Backbone interact. energy: -0.060
local terms energy: -533.874383
where:
bonds (distance) C4'-P energy: -108.952
bonds (distance) P-C4' energy: -97.110
flat angles C4'-P-C4' energy: -126.621
flat angles P-C4'-P energy: -70.824
tors. eta vs tors. theta energy: -130.367
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: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1397.330648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.330648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.330648 (E_RNA)
where:
Base-Base interactions energy: -885.877
where: short stacking energy: -379.175
Base-Backbone interact. energy: -1.369
local terms energy: -510.084928
where:
bonds (distance) C4'-P energy: -121.972
bonds (distance) P-C4' energy: -114.721
flat angles C4'-P-C4' energy: -114.351
flat angles P-C4'-P energy: -83.601
tors. eta vs tors. theta energy: -75.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1192.538341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.538341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.538341 (E_RNA)
where:
Base-Base interactions energy: -754.452
where: short stacking energy: -357.303
Base-Backbone interact. energy: -2.270
local terms energy: -435.816395
where:
bonds (distance) C4'-P energy: -99.440
bonds (distance) P-C4' energy: -114.408
flat angles C4'-P-C4' energy: -112.472
flat angles P-C4'-P energy: -51.279
tors. eta vs tors. theta energy: -58.216
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: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -893.323229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.323229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.323229 (E_RNA)
where:
Base-Base interactions energy: -504.182
where: short stacking energy: -279.728
Base-Backbone interact. energy: -0.669
local terms energy: -388.472094
where:
bonds (distance) C4'-P energy: -106.331
bonds (distance) P-C4' energy: -117.761
flat angles C4'-P-C4' energy: -82.699
flat angles P-C4'-P energy: -49.535
tors. eta vs tors. theta energy: -32.146
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: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -623.804997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.804997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.804997 (E_RNA)
where:
Base-Base interactions energy: -268.209
where: short stacking energy: -151.416
Base-Backbone interact. energy: 3.325
local terms energy: -358.920846
where:
bonds (distance) C4'-P energy: -99.777
bonds (distance) P-C4' energy: -116.527
flat angles C4'-P-C4' energy: -103.654
flat angles P-C4'-P energy: -60.107
tors. eta vs tors. theta energy: 21.143
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2297.891151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.891151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.891151 (E_RNA)
where:
Base-Base interactions energy: -1583.442
where: short stacking energy: -690.332
Base-Backbone interact. energy: -2.678
local terms energy: -711.771306
where:
bonds (distance) C4'-P energy: -133.141
bonds (distance) P-C4' energy: -137.236
flat angles C4'-P-C4' energy: -145.494
flat angles P-C4'-P energy: -98.055
tors. eta vs tors. theta energy: -197.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2226.087021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.087021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.087021 (E_RNA)
where:
Base-Base interactions energy: -1551.598
where: short stacking energy: -649.826
Base-Backbone interact. energy: -2.290
local terms energy: -672.198458
where:
bonds (distance) C4'-P energy: -121.820
bonds (distance) P-C4' energy: -134.026
flat angles C4'-P-C4' energy: -142.013
flat angles P-C4'-P energy: -99.120
tors. eta vs tors. theta energy: -175.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2095.589044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.589044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.589044 (E_RNA)
where:
Base-Base interactions energy: -1443.138
where: short stacking energy: -614.864
Base-Backbone interact. energy: -3.910
local terms energy: -648.541271
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -121.779
flat angles C4'-P-C4' energy: -151.050
flat angles P-C4'-P energy: -89.456
tors. eta vs tors. theta energy: -175.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2027.455301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.455301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.455301 (E_RNA)
where:
Base-Base interactions energy: -1374.753
where: short stacking energy: -604.803
Base-Backbone interact. energy: -1.281
local terms energy: -651.421301
where:
bonds (distance) C4'-P energy: -126.013
bonds (distance) P-C4' energy: -131.383
flat angles C4'-P-C4' energy: -130.633
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -170.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1907.346163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.346163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.346163 (E_RNA)
where:
Base-Base interactions energy: -1319.174
where: short stacking energy: -562.435
Base-Backbone interact. energy: -0.231
local terms energy: -587.940445
where:
bonds (distance) C4'-P energy: -118.160
bonds (distance) P-C4' energy: -106.562
flat angles C4'-P-C4' energy: -125.634
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -147.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1594.777683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.777683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.777683 (E_RNA)
where:
Base-Base interactions energy: -1068.003
where: short stacking energy: -459.292
Base-Backbone interact. energy: 0.441
local terms energy: -527.215355
where:
bonds (distance) C4'-P energy: -116.776
bonds (distance) P-C4' energy: -106.267
flat angles C4'-P-C4' energy: -120.151
flat angles P-C4'-P energy: -74.823
tors. eta vs tors. theta energy: -109.198
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: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1435.027963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.027963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.027963 (E_RNA)
where:
Base-Base interactions energy: -926.564
where: short stacking energy: -404.450
Base-Backbone interact. energy: -3.581
local terms energy: -504.883766
where:
bonds (distance) C4'-P energy: -117.649
bonds (distance) P-C4' energy: -120.339
flat angles C4'-P-C4' energy: -114.351
flat angles P-C4'-P energy: -78.785
tors. eta vs tors. theta energy: -73.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1159.067852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.067852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.067852 (E_RNA)
where:
Base-Base interactions energy: -737.042
where: short stacking energy: -333.970
Base-Backbone interact. energy: 2.019
local terms energy: -424.044570
where:
bonds (distance) C4'-P energy: -104.621
bonds (distance) P-C4' energy: -107.974
flat angles C4'-P-C4' energy: -106.875
flat angles P-C4'-P energy: -55.505
tors. eta vs tors. theta energy: -49.070
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: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -912.512294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.512294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.512294 (E_RNA)
where:
Base-Base interactions energy: -515.768
where: short stacking energy: -277.813
Base-Backbone interact. energy: 1.467
local terms energy: -398.211624
where:
bonds (distance) C4'-P energy: -101.221
bonds (distance) P-C4' energy: -108.359
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -72.748
tors. eta vs tors. theta energy: -35.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -640.626510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.626510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.626510 (E_RNA)
where:
Base-Base interactions energy: -321.447
where: short stacking energy: -188.689
Base-Backbone interact. energy: 4.064
local terms energy: -323.243485
where:
bonds (distance) C4'-P energy: -97.458
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -93.169
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: 6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2299.432885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.432885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.432885 (E_RNA)
where:
Base-Base interactions energy: -1590.994
where: short stacking energy: -667.762
Base-Backbone interact. energy: -3.429
local terms energy: -705.009907
where:
bonds (distance) C4'-P energy: -132.044
bonds (distance) P-C4' energy: -139.008
flat angles C4'-P-C4' energy: -156.056
flat angles P-C4'-P energy: -93.595
tors. eta vs tors. theta energy: -184.307
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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2254.532995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.532995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.532995 (E_RNA)
where:
Base-Base interactions energy: -1594.748
where: short stacking energy: -641.068
Base-Backbone interact. energy: 2.296
local terms energy: -662.081508
where:
bonds (distance) C4'-P energy: -132.074
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -143.326
flat angles P-C4'-P energy: -94.657
tors. eta vs tors. theta energy: -171.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2107.107039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.107039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.107039 (E_RNA)
where:
Base-Base interactions energy: -1462.633
where: short stacking energy: -592.023
Base-Backbone interact. energy: -2.410
local terms energy: -642.063890
where:
bonds (distance) C4'-P energy: -108.311
bonds (distance) P-C4' energy: -125.852
flat angles C4'-P-C4' energy: -139.878
flat angles P-C4'-P energy: -94.241
tors. eta vs tors. theta energy: -173.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2002.661695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.661695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.661695 (E_RNA)
where:
Base-Base interactions energy: -1378.422
where: short stacking energy: -587.586
Base-Backbone interact. energy: -1.204
local terms energy: -623.035985
where:
bonds (distance) C4'-P energy: -115.633
bonds (distance) P-C4' energy: -127.637
flat angles C4'-P-C4' energy: -140.419
flat angles P-C4'-P energy: -84.180
tors. eta vs tors. theta energy: -155.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1915.742562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.742562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.742562 (E_RNA)
where:
Base-Base interactions energy: -1302.054
where: short stacking energy: -541.050
Base-Backbone interact. energy: 0.372
local terms energy: -614.060347
where:
bonds (distance) C4'-P energy: -114.027
bonds (distance) P-C4' energy: -130.154
flat angles C4'-P-C4' energy: -133.683
flat angles P-C4'-P energy: -70.787
tors. eta vs tors. theta energy: -165.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1680.885955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.885955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.885955 (E_RNA)
where:
Base-Base interactions energy: -1141.293
where: short stacking energy: -489.280
Base-Backbone interact. energy: -3.033
local terms energy: -536.559861
where:
bonds (distance) C4'-P energy: -121.279
bonds (distance) P-C4' energy: -119.074
flat angles C4'-P-C4' energy: -129.026
flat angles P-C4'-P energy: -48.640
tors. eta vs tors. theta energy: -118.542
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: 226
Temperature: 1.200000
Total energy: -1439.585852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.585852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.585852 (E_RNA)
where:
Base-Base interactions energy: -934.329
where: short stacking energy: -445.508
Base-Backbone interact. energy: -2.000
local terms energy: -503.257470
where:
bonds (distance) C4'-P energy: -91.321
bonds (distance) P-C4' energy: -106.791
flat angles C4'-P-C4' energy: -113.318
flat angles P-C4'-P energy: -84.030
tors. eta vs tors. theta energy: -107.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1199.184128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.184128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.184128 (E_RNA)
where:
Base-Base interactions energy: -741.034
where: short stacking energy: -343.912
Base-Backbone interact. energy: 3.954
local terms energy: -462.104306
where:
bonds (distance) C4'-P energy: -99.268
bonds (distance) P-C4' energy: -121.809
flat angles C4'-P-C4' energy: -102.904
flat angles P-C4'-P energy: -74.286
tors. eta vs tors. theta energy: -63.839
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: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -920.837545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.837545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.837545 (E_RNA)
where:
Base-Base interactions energy: -519.159
where: short stacking energy: -263.479
Base-Backbone interact. energy: 1.138
local terms energy: -402.816820
where:
bonds (distance) C4'-P energy: -107.205
bonds (distance) P-C4' energy: -105.353
flat angles C4'-P-C4' energy: -101.148
flat angles P-C4'-P energy: -67.752
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -642.297137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.297137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.297137 (E_RNA)
where:
Base-Base interactions energy: -291.699
where: short stacking energy: -192.006
Base-Backbone interact. energy: 2.427
local terms energy: -353.025199
where:
bonds (distance) C4'-P energy: -97.000
bonds (distance) P-C4' energy: -115.636
flat angles C4'-P-C4' energy: -99.491
flat angles P-C4'-P energy: -48.100
tors. eta vs tors. theta energy: 7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2348.366810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.366810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.366810 (E_RNA)
where:
Base-Base interactions energy: -1652.239
where: short stacking energy: -706.166
Base-Backbone interact. energy: -3.226
local terms energy: -692.901742
where:
bonds (distance) C4'-P energy: -131.824
bonds (distance) P-C4' energy: -127.277
flat angles C4'-P-C4' energy: -144.618
flat angles P-C4'-P energy: -94.752
tors. eta vs tors. theta energy: -194.431
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: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2247.946501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.946501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.946501 (E_RNA)
where:
Base-Base interactions energy: -1576.251
where: short stacking energy: -630.841
Base-Backbone interact. energy: -3.412
local terms energy: -668.282761
where:
bonds (distance) C4'-P energy: -124.084
bonds (distance) P-C4' energy: -121.714
flat angles C4'-P-C4' energy: -149.346
flat angles P-C4'-P energy: -101.635
tors. eta vs tors. theta energy: -171.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2105.585409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.585409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.585409 (E_RNA)
where:
Base-Base interactions energy: -1456.906
where: short stacking energy: -614.545
Base-Backbone interact. energy: -7.771
local terms energy: -640.908243
where:
bonds (distance) C4'-P energy: -104.353
bonds (distance) P-C4' energy: -113.521
flat angles C4'-P-C4' energy: -140.713
flat angles P-C4'-P energy: -94.049
tors. eta vs tors. theta energy: -188.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2022.620992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.620992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.620992 (E_RNA)
where:
Base-Base interactions energy: -1391.964
where: short stacking energy: -583.183
Base-Backbone interact. energy: 4.973
local terms energy: -635.630208
where:
bonds (distance) C4'-P energy: -108.521
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -136.616
flat angles P-C4'-P energy: -99.743
tors. eta vs tors. theta energy: -161.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1926.623460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.623460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.623460 (E_RNA)
where:
Base-Base interactions energy: -1313.557
where: short stacking energy: -553.439
Base-Backbone interact. energy: -1.668
local terms energy: -611.398493
where:
bonds (distance) C4'-P energy: -115.167
bonds (distance) P-C4' energy: -120.029
flat angles C4'-P-C4' energy: -133.137
flat angles P-C4'-P energy: -89.572
tors. eta vs tors. theta energy: -153.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1656.725431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.725431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.725431 (E_RNA)
where:
Base-Base interactions energy: -1084.981
where: short stacking energy: -456.679
Base-Backbone interact. energy: 2.365
local terms energy: -574.108958
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -127.779
flat angles C4'-P-C4' energy: -115.009
flat angles P-C4'-P energy: -78.359
tors. eta vs tors. theta energy: -127.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1469.596958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.596958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.596958 (E_RNA)
where:
Base-Base interactions energy: -947.687
where: short stacking energy: -452.909
Base-Backbone interact. energy: 0.459
local terms energy: -522.368621
where:
bonds (distance) C4'-P energy: -90.797
bonds (distance) P-C4' energy: -128.805
flat angles C4'-P-C4' energy: -123.034
flat angles P-C4'-P energy: -76.914
tors. eta vs tors. theta energy: -102.818
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: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1214.833785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.833785 (E_RNA)
where:
Base-Base interactions energy: -771.541
where: short stacking energy: -332.163
Base-Backbone interact. energy: 1.443
local terms energy: -444.736265
where:
bonds (distance) C4'-P energy: -103.410
bonds (distance) P-C4' energy: -118.491
flat angles C4'-P-C4' energy: -114.690
flat angles P-C4'-P energy: -68.204
tors. eta vs tors. theta energy: -39.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -928.287797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.287797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.287797 (E_RNA)
where:
Base-Base interactions energy: -528.079
where: short stacking energy: -257.455
Base-Backbone interact. energy: -1.426
local terms energy: -398.783437
where:
bonds (distance) C4'-P energy: -93.731
bonds (distance) P-C4' energy: -103.137
flat angles C4'-P-C4' energy: -111.395
flat angles P-C4'-P energy: -55.463
tors. eta vs tors. theta energy: -35.058
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: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -605.103684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.103684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.103684 (E_RNA)
where:
Base-Base interactions energy: -267.646
where: short stacking energy: -178.068
Base-Backbone interact. energy: 0.454
local terms energy: -337.911847
where:
bonds (distance) C4'-P energy: -107.038
bonds (distance) P-C4' energy: -90.233
flat angles C4'-P-C4' energy: -101.488
flat angles P-C4'-P energy: -46.540
tors. eta vs tors. theta energy: 7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2262.514682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.514682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.514682 (E_RNA)
where:
Base-Base interactions energy: -1587.191
where: short stacking energy: -637.320
Base-Backbone interact. energy: -2.022
local terms energy: -673.301422
where:
bonds (distance) C4'-P energy: -114.561
bonds (distance) P-C4' energy: -121.068
flat angles C4'-P-C4' energy: -144.306
flat angles P-C4'-P energy: -112.596
tors. eta vs tors. theta energy: -180.770
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2246.028740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.028740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.028740 (E_RNA)
where:
Base-Base interactions energy: -1555.874
where: short stacking energy: -683.064
Base-Backbone interact. energy: 0.231
local terms energy: -690.385658
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -123.109
flat angles C4'-P-C4' energy: -156.802
flat angles P-C4'-P energy: -96.466
tors. eta vs tors. theta energy: -186.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2072.387950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.387950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.387950 (E_RNA)
where:
Base-Base interactions energy: -1439.962
where: short stacking energy: -614.513
Base-Backbone interact. energy: -2.774
local terms energy: -629.652319
where:
bonds (distance) C4'-P energy: -102.694
bonds (distance) P-C4' energy: -114.457
flat angles C4'-P-C4' energy: -147.933
flat angles P-C4'-P energy: -90.535
tors. eta vs tors. theta energy: -174.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2063.894707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.894707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.894707 (E_RNA)
where:
Base-Base interactions energy: -1441.501
where: short stacking energy: -596.732
Base-Backbone interact. energy: 0.566
local terms energy: -622.959754
where:
bonds (distance) C4'-P energy: -130.675
bonds (distance) P-C4' energy: -106.743
flat angles C4'-P-C4' energy: -129.272
flat angles P-C4'-P energy: -94.275
tors. eta vs tors. theta energy: -161.995
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: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1896.195958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.195958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.195958 (E_RNA)
where:
Base-Base interactions energy: -1283.859
where: short stacking energy: -562.540
Base-Backbone interact. energy: -0.144
local terms energy: -612.192619
where:
bonds (distance) C4'-P energy: -113.194
bonds (distance) P-C4' energy: -118.261
flat angles C4'-P-C4' energy: -137.175
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -161.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1683.206821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.206821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.206821 (E_RNA)
where:
Base-Base interactions energy: -1146.238
where: short stacking energy: -492.875
Base-Backbone interact. energy: -3.325
local terms energy: -533.643400
where:
bonds (distance) C4'-P energy: -105.907
bonds (distance) P-C4' energy: -109.972
flat angles C4'-P-C4' energy: -125.903
flat angles P-C4'-P energy: -76.502
tors. eta vs tors. theta energy: -115.360
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1432.360359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.360359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.360359 (E_RNA)
where:
Base-Base interactions energy: -952.846
where: short stacking energy: -422.303
Base-Backbone interact. energy: 2.482
local terms energy: -481.997007
where:
bonds (distance) C4'-P energy: -89.976
bonds (distance) P-C4' energy: -125.211
flat angles C4'-P-C4' energy: -113.548
flat angles P-C4'-P energy: -59.687
tors. eta vs tors. theta energy: -93.575
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1222.808837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.808837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.808837 (E_RNA)
where:
Base-Base interactions energy: -766.752
where: short stacking energy: -367.696
Base-Backbone interact. energy: -2.421
local terms energy: -453.635653
where:
bonds (distance) C4'-P energy: -117.880
bonds (distance) P-C4' energy: -96.161
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -53.897
tors. eta vs tors. theta energy: -77.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -888.371657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.371657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.371657 (E_RNA)
where:
Base-Base interactions energy: -481.035
where: short stacking energy: -257.988
Base-Backbone interact. energy: -1.694
local terms energy: -405.641845
where:
bonds (distance) C4'-P energy: -103.871
bonds (distance) P-C4' energy: -104.178
flat angles C4'-P-C4' energy: -101.729
flat angles P-C4'-P energy: -74.087
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -641.921294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.921294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.921294 (E_RNA)
where:
Base-Base interactions energy: -300.717
where: short stacking energy: -203.378
Base-Backbone interact. energy: -0.558
local terms energy: -340.646599
where:
bonds (distance) C4'-P energy: -101.630
bonds (distance) P-C4' energy: -97.592
flat angles C4'-P-C4' energy: -83.517
flat angles P-C4'-P energy: -51.506
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2296.153797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.153797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.153797 (E_RNA)
where:
Base-Base interactions energy: -1610.456
where: short stacking energy: -662.074
Base-Backbone interact. energy: -5.063
local terms energy: -680.634439
where:
bonds (distance) C4'-P energy: -124.852
bonds (distance) P-C4' energy: -145.112
flat angles C4'-P-C4' energy: -139.006
flat angles P-C4'-P energy: -83.377
tors. eta vs tors. theta energy: -188.287
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: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2253.248456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.248456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.248456 (E_RNA)
where:
Base-Base interactions energy: -1564.675
where: short stacking energy: -672.152
Base-Backbone interact. energy: -1.327
local terms energy: -687.245943
where:
bonds (distance) C4'-P energy: -124.274
bonds (distance) P-C4' energy: -131.308
flat angles C4'-P-C4' energy: -150.426
flat angles P-C4'-P energy: -100.041
tors. eta vs tors. theta energy: -181.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2082.663825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.663825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.663825 (E_RNA)
where:
Base-Base interactions energy: -1438.923
where: short stacking energy: -622.832
Base-Backbone interact. energy: -8.668
local terms energy: -635.073180
where:
bonds (distance) C4'-P energy: -105.519
bonds (distance) P-C4' energy: -121.531
flat angles C4'-P-C4' energy: -146.335
flat angles P-C4'-P energy: -77.969
tors. eta vs tors. theta energy: -183.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2072.068799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.068799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.068799 (E_RNA)
where:
Base-Base interactions energy: -1436.981
where: short stacking energy: -597.006
Base-Backbone interact. energy: -2.237
local terms energy: -632.850909
where:
bonds (distance) C4'-P energy: -116.951
bonds (distance) P-C4' energy: -117.951
flat angles C4'-P-C4' energy: -148.459
flat angles P-C4'-P energy: -85.557
tors. eta vs tors. theta energy: -163.933
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: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1895.898076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.898076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.898076 (E_RNA)
where:
Base-Base interactions energy: -1315.745
where: short stacking energy: -569.078
Base-Backbone interact. energy: -1.874
local terms energy: -578.278447
where:
bonds (distance) C4'-P energy: -105.290
bonds (distance) P-C4' energy: -118.987
flat angles C4'-P-C4' energy: -126.428
flat angles P-C4'-P energy: -79.664
tors. eta vs tors. theta energy: -147.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1672.023140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.023140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.023140 (E_RNA)
where:
Base-Base interactions energy: -1111.996
where: short stacking energy: -485.519
Base-Backbone interact. energy: -3.181
local terms energy: -556.846372
where:
bonds (distance) C4'-P energy: -91.885
bonds (distance) P-C4' energy: -123.384
flat angles C4'-P-C4' energy: -130.650
flat angles P-C4'-P energy: -85.277
tors. eta vs tors. theta energy: -125.649
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1508.574692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.574692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.574692 (E_RNA)
where:
Base-Base interactions energy: -1001.354
where: short stacking energy: -437.034
Base-Backbone interact. energy: -5.128
local terms energy: -502.093357
where:
bonds (distance) C4'-P energy: -102.331
bonds (distance) P-C4' energy: -104.385
flat angles C4'-P-C4' energy: -131.246
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -93.759
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1209.084582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.084582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.084582 (E_RNA)
where:
Base-Base interactions energy: -739.584
where: short stacking energy: -342.363
Base-Backbone interact. energy: -0.575
local terms energy: -468.926062
where:
bonds (distance) C4'-P energy: -95.858
bonds (distance) P-C4' energy: -126.499
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -77.680
tors. eta vs tors. theta energy: -46.978
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: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -897.899131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.899131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.899131 (E_RNA)
where:
Base-Base interactions energy: -499.624
where: short stacking energy: -250.185
Base-Backbone interact. energy: 3.507
local terms energy: -401.782009
where:
bonds (distance) C4'-P energy: -104.240
bonds (distance) P-C4' energy: -119.483
flat angles C4'-P-C4' energy: -92.563
flat angles P-C4'-P energy: -60.745
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -671.877744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.877744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.877744 (E_RNA)
where:
Base-Base interactions energy: -299.991
where: short stacking energy: -172.449
Base-Backbone interact. energy: 4.769
local terms energy: -376.656258
where:
bonds (distance) C4'-P energy: -106.420
bonds (distance) P-C4' energy: -114.122
flat angles C4'-P-C4' energy: -103.105
flat angles P-C4'-P energy: -57.878
tors. eta vs tors. theta energy: 4.869
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: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2296.620576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.620576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.620576 (E_RNA)
where:
Base-Base interactions energy: -1600.201
where: short stacking energy: -658.522
Base-Backbone interact. energy: -2.462
local terms energy: -693.957225
where:
bonds (distance) C4'-P energy: -136.249
bonds (distance) P-C4' energy: -133.754
flat angles C4'-P-C4' energy: -146.182
flat angles P-C4'-P energy: -84.979
tors. eta vs tors. theta energy: -192.793
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2250.290757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.290757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.290757 (E_RNA)
where:
Base-Base interactions energy: -1560.225
where: short stacking energy: -655.592
Base-Backbone interact. energy: -2.327
local terms energy: -687.738322
where:
bonds (distance) C4'-P energy: -122.612
bonds (distance) P-C4' energy: -139.570
flat angles C4'-P-C4' energy: -146.757
flat angles P-C4'-P energy: -90.657
tors. eta vs tors. theta energy: -188.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2098.845324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.845324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.845324 (E_RNA)
where:
Base-Base interactions energy: -1436.861
where: short stacking energy: -636.009
Base-Backbone interact. energy: -0.089
local terms energy: -661.895322
where:
bonds (distance) C4'-P energy: -115.345
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -155.361
flat angles P-C4'-P energy: -93.887
tors. eta vs tors. theta energy: -179.026
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: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2089.564102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.564102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.564102 (E_RNA)
where:
Base-Base interactions energy: -1447.978
where: short stacking energy: -633.621
Base-Backbone interact. energy: 3.534
local terms energy: -645.120265
where:
bonds (distance) C4'-P energy: -106.929
bonds (distance) P-C4' energy: -119.299
flat angles C4'-P-C4' energy: -148.780
flat angles P-C4'-P energy: -97.993
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: 5, replica: 1
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1939.376574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.376574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.376574 (E_RNA)
where:
Base-Base interactions energy: -1321.877
where: short stacking energy: -557.235
Base-Backbone interact. energy: -3.598
local terms energy: -613.900862
where:
bonds (distance) C4'-P energy: -106.703
bonds (distance) P-C4' energy: -120.960
flat angles C4'-P-C4' energy: -131.569
flat angles P-C4'-P energy: -91.205
tors. eta vs tors. theta energy: -163.465
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: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1649.255726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.255726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.255726 (E_RNA)
where:
Base-Base interactions energy: -1085.525
where: short stacking energy: -479.223
Base-Backbone interact. energy: -2.714
local terms energy: -561.017275
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -120.205
flat angles C4'-P-C4' energy: -116.095
flat angles P-C4'-P energy: -85.408
tors. eta vs tors. theta energy: -128.961
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: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1527.136374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.136374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.136374 (E_RNA)
where:
Base-Base interactions energy: -1019.810
where: short stacking energy: -435.689
Base-Backbone interact. energy: 3.523
local terms energy: -510.848647
where:
bonds (distance) C4'-P energy: -106.909
bonds (distance) P-C4' energy: -117.402
flat angles C4'-P-C4' energy: -117.535
flat angles P-C4'-P energy: -84.349
tors. eta vs tors. theta energy: -84.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1293.219927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.219927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.219927 (E_RNA)
where:
Base-Base interactions energy: -839.170
where: short stacking energy: -352.948
Base-Backbone interact. energy: 1.309
local terms energy: -455.359523
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -121.779
flat angles C4'-P-C4' energy: -108.171
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -54.321
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: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -895.170556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.170556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.170556 (E_RNA)
where:
Base-Base interactions energy: -508.745
where: short stacking energy: -245.735
Base-Backbone interact. energy: -1.667
local terms energy: -384.758279
where:
bonds (distance) C4'-P energy: -105.455
bonds (distance) P-C4' energy: -115.782
flat angles C4'-P-C4' energy: -84.522
flat angles P-C4'-P energy: -65.014
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -620.690292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.690292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.690292 (E_RNA)
where:
Base-Base interactions energy: -277.673
where: short stacking energy: -208.805
Base-Backbone interact. energy: -1.304
local terms energy: -341.713654
where:
bonds (distance) C4'-P energy: -88.518
bonds (distance) P-C4' energy: -118.830
flat angles C4'-P-C4' energy: -75.634
flat angles P-C4'-P energy: -48.957
tors. eta vs tors. theta energy: -9.773
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: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2307.550806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.550806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.550806 (E_RNA)
where:
Base-Base interactions energy: -1607.158
where: short stacking energy: -657.657
Base-Backbone interact. energy: -3.281
local terms energy: -697.111660
where:
bonds (distance) C4'-P energy: -135.009
bonds (distance) P-C4' energy: -131.836
flat angles C4'-P-C4' energy: -142.787
flat angles P-C4'-P energy: -95.164
tors. eta vs tors. theta energy: -192.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2235.127795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.127795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.127795 (E_RNA)
where:
Base-Base interactions energy: -1552.849
where: short stacking energy: -654.559
Base-Backbone interact. energy: -2.838
local terms energy: -679.441273
where:
bonds (distance) C4'-P energy: -122.980
bonds (distance) P-C4' energy: -127.401
flat angles C4'-P-C4' energy: -141.560
flat angles P-C4'-P energy: -93.277
tors. eta vs tors. theta energy: -194.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2122.448419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.448419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.448419 (E_RNA)
where:
Base-Base interactions energy: -1471.131
where: short stacking energy: -612.283
Base-Backbone interact. energy: -4.141
local terms energy: -647.176580
where:
bonds (distance) C4'-P energy: -112.601
bonds (distance) P-C4' energy: -124.509
flat angles C4'-P-C4' energy: -152.009
flat angles P-C4'-P energy: -80.419
tors. eta vs tors. theta energy: -177.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2048.919695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.919695 (E_RNA)
where:
Base-Base interactions energy: -1412.819
where: short stacking energy: -624.983
Base-Backbone interact. energy: -3.526
local terms energy: -632.574546
where:
bonds (distance) C4'-P energy: -113.214
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -135.214
flat angles P-C4'-P energy: -82.835
tors. eta vs tors. theta energy: -169.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1906.515024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.515024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.515024 (E_RNA)
where:
Base-Base interactions energy: -1339.108
where: short stacking energy: -533.086
Base-Backbone interact. energy: 3.056
local terms energy: -570.462968
where:
bonds (distance) C4'-P energy: -107.183
bonds (distance) P-C4' energy: -117.094
flat angles C4'-P-C4' energy: -128.999
flat angles P-C4'-P energy: -83.092
tors. eta vs tors. theta energy: -134.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1690.835645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.835645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.835645 (E_RNA)
where:
Base-Base interactions energy: -1128.794
where: short stacking energy: -474.638
Base-Backbone interact. energy: -3.062
local terms energy: -558.979306
where:
bonds (distance) C4'-P energy: -104.033
bonds (distance) P-C4' energy: -134.151
flat angles C4'-P-C4' energy: -134.139
flat angles P-C4'-P energy: -71.081
tors. eta vs tors. theta energy: -115.575
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1652.964583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.964583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.964583 (E_RNA)
where:
Base-Base interactions energy: -1114.621
where: short stacking energy: -491.692
Base-Backbone interact. energy: -0.390
local terms energy: -537.953959
where:
bonds (distance) C4'-P energy: -90.644
bonds (distance) P-C4' energy: -112.422
flat angles C4'-P-C4' energy: -133.169
flat angles P-C4'-P energy: -79.256
tors. eta vs tors. theta energy: -122.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1262.821012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.821012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.821012 (E_RNA)
where:
Base-Base interactions energy: -830.904
where: short stacking energy: -351.968
Base-Backbone interact. energy: -0.295
local terms energy: -431.621979
where:
bonds (distance) C4'-P energy: -106.936
bonds (distance) P-C4' energy: -110.057
flat angles C4'-P-C4' energy: -102.255
flat angles P-C4'-P energy: -60.325
tors. eta vs tors. theta energy: -52.050
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: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -865.325189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.325189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.325189 (E_RNA)
where:
Base-Base interactions energy: -494.348
where: short stacking energy: -261.795
Base-Backbone interact. energy: 0.335
local terms energy: -371.311993
where:
bonds (distance) C4'-P energy: -89.002
bonds (distance) P-C4' energy: -103.622
flat angles C4'-P-C4' energy: -91.180
flat angles P-C4'-P energy: -65.320
tors. eta vs tors. theta energy: -22.188
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: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -601.868383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.868383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.868383 (E_RNA)
where:
Base-Base interactions energy: -252.340
where: short stacking energy: -176.750
Base-Backbone interact. energy: 0.636
local terms energy: -350.163751
where:
bonds (distance) C4'-P energy: -112.320
bonds (distance) P-C4' energy: -102.911
flat angles C4'-P-C4' energy: -90.421
flat angles P-C4'-P energy: -55.622
tors. eta vs tors. theta energy: 11.110
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: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2285.364048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.364048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.364048 (E_RNA)
where:
Base-Base interactions energy: -1582.697
where: short stacking energy: -641.035
Base-Backbone interact. energy: -3.329
local terms energy: -699.337419
where:
bonds (distance) C4'-P energy: -128.833
bonds (distance) P-C4' energy: -132.129
flat angles C4'-P-C4' energy: -147.110
flat angles P-C4'-P energy: -108.156
tors. eta vs tors. theta energy: -183.110
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: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2252.286991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.286991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.286991 (E_RNA)
where:
Base-Base interactions energy: -1559.361
where: short stacking energy: -675.297
Base-Backbone interact. energy: -3.326
local terms energy: -689.599491
where:
bonds (distance) C4'-P energy: -124.153
bonds (distance) P-C4' energy: -118.535
flat angles C4'-P-C4' energy: -148.069
flat angles P-C4'-P energy: -106.408
tors. eta vs tors. theta energy: -192.434
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: 232
Temperature: 1.000000
Total energy: -2123.278722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.278722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.278722 (E_RNA)
where:
Base-Base interactions energy: -1462.732
where: short stacking energy: -614.639
Base-Backbone interact. energy: -1.226
local terms energy: -659.320658
where:
bonds (distance) C4'-P energy: -125.270
bonds (distance) P-C4' energy: -129.837
flat angles C4'-P-C4' energy: -138.525
flat angles P-C4'-P energy: -88.076
tors. eta vs tors. theta energy: -177.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2061.296695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.296695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.296695 (E_RNA)
where:
Base-Base interactions energy: -1427.087
where: short stacking energy: -603.678
Base-Backbone interact. energy: -2.245
local terms energy: -631.965288
where:
bonds (distance) C4'-P energy: -127.379
bonds (distance) P-C4' energy: -111.498
flat angles C4'-P-C4' energy: -132.953
flat angles P-C4'-P energy: -83.387
tors. eta vs tors. theta energy: -176.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1870.772894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.772894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.772894 (E_RNA)
where:
Base-Base interactions energy: -1292.147
where: short stacking energy: -529.898
Base-Backbone interact. energy: 0.915
local terms energy: -579.541219
where:
bonds (distance) C4'-P energy: -116.015
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -132.217
flat angles P-C4'-P energy: -77.816
tors. eta vs tors. theta energy: -143.252
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: 232
Temperature: 1.150000
Total energy: -1668.150308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.150308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.150308 (E_RNA)
where:
Base-Base interactions energy: -1104.534
where: short stacking energy: -468.811
Base-Backbone interact. energy: 3.215
local terms energy: -566.830363
where:
bonds (distance) C4'-P energy: -107.757
bonds (distance) P-C4' energy: -134.510
flat angles C4'-P-C4' energy: -126.755
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -122.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1669.334138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.334138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.334138 (E_RNA)
where:
Base-Base interactions energy: -1137.396
where: short stacking energy: -499.857
Base-Backbone interact. energy: 4.051
local terms energy: -535.989009
where:
bonds (distance) C4'-P energy: -113.261
bonds (distance) P-C4' energy: -107.854
flat angles C4'-P-C4' energy: -129.551
flat angles P-C4'-P energy: -54.560
tors. eta vs tors. theta energy: -130.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1258.743600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.743600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.743600 (E_RNA)
where:
Base-Base interactions energy: -799.979
where: short stacking energy: -375.867
Base-Backbone interact. energy: -1.213
local terms energy: -457.551781
where:
bonds (distance) C4'-P energy: -112.365
bonds (distance) P-C4' energy: -104.830
flat angles C4'-P-C4' energy: -102.963
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -81.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -853.986875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.986875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.986875 (E_RNA)
where:
Base-Base interactions energy: -477.089
where: short stacking energy: -283.333
Base-Backbone interact. energy: 3.052
local terms energy: -379.950470
where:
bonds (distance) C4'-P energy: -102.009
bonds (distance) P-C4' energy: -111.565
flat angles C4'-P-C4' energy: -90.736
flat angles P-C4'-P energy: -52.702
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -583.193845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.193845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.193845 (E_RNA)
where:
Base-Base interactions energy: -252.581
where: short stacking energy: -156.729
Base-Backbone interact. energy: -3.059
local terms energy: -327.553490
where:
bonds (distance) C4'-P energy: -110.121
bonds (distance) P-C4' energy: -108.247
flat angles C4'-P-C4' energy: -95.853
flat angles P-C4'-P energy: -31.946
tors. eta vs tors. theta energy: 18.613
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: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2278.349343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.349343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.349343 (E_RNA)
where:
Base-Base interactions energy: -1572.702
where: short stacking energy: -671.286
Base-Backbone interact. energy: -5.156
local terms energy: -700.490830
where:
bonds (distance) C4'-P energy: -131.645
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -155.147
flat angles P-C4'-P energy: -94.616
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: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2256.565681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.565681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.565681 (E_RNA)
where:
Base-Base interactions energy: -1577.207
where: short stacking energy: -673.776
Base-Backbone interact. energy: -3.006
local terms energy: -676.351801
where:
bonds (distance) C4'-P energy: -122.596
bonds (distance) P-C4' energy: -129.107
flat angles C4'-P-C4' energy: -152.759
flat angles P-C4'-P energy: -84.188
tors. eta vs tors. theta energy: -187.701
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: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2105.774746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.774746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.774746 (E_RNA)
where:
Base-Base interactions energy: -1447.992
where: short stacking energy: -590.739
Base-Backbone interact. energy: -5.553
local terms energy: -652.229792
where:
bonds (distance) C4'-P energy: -117.151
bonds (distance) P-C4' energy: -128.457
flat angles C4'-P-C4' energy: -143.410
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -165.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2029.278890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.278890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.278890 (E_RNA)
where:
Base-Base interactions energy: -1372.134
where: short stacking energy: -561.365
Base-Backbone interact. energy: -3.393
local terms energy: -653.751792
where:
bonds (distance) C4'-P energy: -124.022
bonds (distance) P-C4' energy: -119.071
flat angles C4'-P-C4' energy: -140.568
flat angles P-C4'-P energy: -89.692
tors. eta vs tors. theta energy: -180.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1860.691235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.691235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.691235 (E_RNA)
where:
Base-Base interactions energy: -1275.293
where: short stacking energy: -533.152
Base-Backbone interact. energy: 1.845
local terms energy: -587.243999
where:
bonds (distance) C4'-P energy: -110.677
bonds (distance) P-C4' energy: -121.222
flat angles C4'-P-C4' energy: -140.816
flat angles P-C4'-P energy: -70.290
tors. eta vs tors. theta energy: -144.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1692.173055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.173055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.173055 (E_RNA)
where:
Base-Base interactions energy: -1163.809
where: short stacking energy: -498.485
Base-Backbone interact. energy: 0.595
local terms energy: -528.959093
where:
bonds (distance) C4'-P energy: -104.860
bonds (distance) P-C4' energy: -113.657
flat angles C4'-P-C4' energy: -111.603
flat angles P-C4'-P energy: -84.068
tors. eta vs tors. theta energy: -114.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1611.044080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.044080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.044080 (E_RNA)
where:
Base-Base interactions energy: -1050.940
where: short stacking energy: -473.711
Base-Backbone interact. energy: -4.783
local terms energy: -555.321734
where:
bonds (distance) C4'-P energy: -106.969
bonds (distance) P-C4' energy: -109.343
flat angles C4'-P-C4' energy: -136.122
flat angles P-C4'-P energy: -84.851
tors. eta vs tors. theta energy: -118.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1298.414774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.414774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.414774 (E_RNA)
where:
Base-Base interactions energy: -833.516
where: short stacking energy: -360.229
Base-Backbone interact. energy: 2.641
local terms energy: -467.539950
where:
bonds (distance) C4'-P energy: -112.484
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -88.272
flat angles P-C4'-P energy: -72.121
tors. eta vs tors. theta energy: -88.685
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: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -831.176221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.176221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.176221 (E_RNA)
where:
Base-Base interactions energy: -416.877
where: short stacking energy: -231.419
Base-Backbone interact. energy: -0.391
local terms energy: -413.908130
where:
bonds (distance) C4'-P energy: -123.979
bonds (distance) P-C4' energy: -113.913
flat angles C4'-P-C4' energy: -92.498
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -36.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -612.920067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.920067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.920067 (E_RNA)
where:
Base-Base interactions energy: -266.404
where: short stacking energy: -168.850
Base-Backbone interact. energy: -1.643
local terms energy: -344.873323
where:
bonds (distance) C4'-P energy: -108.762
bonds (distance) P-C4' energy: -94.932
flat angles C4'-P-C4' energy: -91.562
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: 11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2290.857388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.857388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.857388 (E_RNA)
where:
Base-Base interactions energy: -1596.591
where: short stacking energy: -679.532
Base-Backbone interact. energy: -6.695
local terms energy: -687.571569
where:
bonds (distance) C4'-P energy: -123.206
bonds (distance) P-C4' energy: -123.930
flat angles C4'-P-C4' energy: -146.098
flat angles P-C4'-P energy: -98.069
tors. eta vs tors. theta energy: -196.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2249.081832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.081832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.081832 (E_RNA)
where:
Base-Base interactions energy: -1570.518
where: short stacking energy: -642.506
Base-Backbone interact. energy: -1.561
local terms energy: -677.003248
where:
bonds (distance) C4'-P energy: -126.617
bonds (distance) P-C4' energy: -137.601
flat angles C4'-P-C4' energy: -145.431
flat angles P-C4'-P energy: -86.940
tors. eta vs tors. theta energy: -180.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2084.323721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.323721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.323721 (E_RNA)
where:
Base-Base interactions energy: -1415.578
where: short stacking energy: -609.649
Base-Backbone interact. energy: -1.964
local terms energy: -666.782070
where:
bonds (distance) C4'-P energy: -116.467
bonds (distance) P-C4' energy: -136.214
flat angles C4'-P-C4' energy: -139.376
flat angles P-C4'-P energy: -97.980
tors. eta vs tors. theta energy: -176.745
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: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2053.815546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.815546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.815546 (E_RNA)
where:
Base-Base interactions energy: -1390.637
where: short stacking energy: -612.036
Base-Backbone interact. energy: -3.963
local terms energy: -659.214828
where:
bonds (distance) C4'-P energy: -112.408
bonds (distance) P-C4' energy: -134.345
flat angles C4'-P-C4' energy: -148.503
flat angles P-C4'-P energy: -81.527
tors. eta vs tors. theta energy: -182.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1878.009496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.009496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.009496 (E_RNA)
where:
Base-Base interactions energy: -1278.642
where: short stacking energy: -553.257
Base-Backbone interact. energy: -0.503
local terms energy: -598.864577
where:
bonds (distance) C4'-P energy: -104.420
bonds (distance) P-C4' energy: -124.503
flat angles C4'-P-C4' energy: -136.915
flat angles P-C4'-P energy: -80.264
tors. eta vs tors. theta energy: -152.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1671.707539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.707539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.707539 (E_RNA)
where:
Base-Base interactions energy: -1096.956
where: short stacking energy: -461.423
Base-Backbone interact. energy: -4.410
local terms energy: -570.341573
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -121.170
flat angles C4'-P-C4' energy: -138.961
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -123.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1626.632894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.632894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.632894 (E_RNA)
where:
Base-Base interactions energy: -1089.397
where: short stacking energy: -476.948
Base-Backbone interact. energy: 3.054
local terms energy: -540.289933
where:
bonds (distance) C4'-P energy: -99.313
bonds (distance) P-C4' energy: -123.728
flat angles C4'-P-C4' energy: -126.195
flat angles P-C4'-P energy: -74.994
tors. eta vs tors. theta energy: -116.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1246.028965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.028965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.028965 (E_RNA)
where:
Base-Base interactions energy: -771.726
where: short stacking energy: -359.605
Base-Backbone interact. energy: 0.568
local terms energy: -474.870749
where:
bonds (distance) C4'-P energy: -96.172
bonds (distance) P-C4' energy: -102.401
flat angles C4'-P-C4' energy: -120.820
flat angles P-C4'-P energy: -80.146
tors. eta vs tors. theta energy: -75.332
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: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -814.385398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.385398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.385398 (E_RNA)
where:
Base-Base interactions energy: -423.599
where: short stacking energy: -240.363
Base-Backbone interact. energy: -2.466
local terms energy: -388.321086
where:
bonds (distance) C4'-P energy: -99.071
bonds (distance) P-C4' energy: -112.734
flat angles C4'-P-C4' energy: -90.763
flat angles P-C4'-P energy: -70.359
tors. eta vs tors. theta energy: -15.394
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: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -628.588537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.588537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.588537 (E_RNA)
where:
Base-Base interactions energy: -303.665
where: short stacking energy: -170.263
Base-Backbone interact. energy: 1.884
local terms energy: -326.807646
where:
bonds (distance) C4'-P energy: -83.072
bonds (distance) P-C4' energy: -119.848
flat angles C4'-P-C4' energy: -78.416
flat angles P-C4'-P energy: -56.331
tors. eta vs tors. theta energy: 10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2285.070222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.070222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.070222 (E_RNA)
where:
Base-Base interactions energy: -1585.474
where: short stacking energy: -695.254
Base-Backbone interact. energy: -0.896
local terms energy: -698.701033
where:
bonds (distance) C4'-P energy: -134.655
bonds (distance) P-C4' energy: -123.796
flat angles C4'-P-C4' energy: -149.177
flat angles P-C4'-P energy: -88.340
tors. eta vs tors. theta energy: -202.733
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: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2247.885245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.885245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.885245 (E_RNA)
where:
Base-Base interactions energy: -1558.705
where: short stacking energy: -612.816
Base-Backbone interact. energy: -1.956
local terms energy: -687.224001
where:
bonds (distance) C4'-P energy: -120.582
bonds (distance) P-C4' energy: -136.484
flat angles C4'-P-C4' energy: -153.433
flat angles P-C4'-P energy: -90.587
tors. eta vs tors. theta energy: -186.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2102.244665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.244665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.244665 (E_RNA)
where:
Base-Base interactions energy: -1447.901
where: short stacking energy: -624.961
Base-Backbone interact. energy: -0.724
local terms energy: -653.619314
where:
bonds (distance) C4'-P energy: -129.354
bonds (distance) P-C4' energy: -124.366
flat angles C4'-P-C4' energy: -130.108
flat angles P-C4'-P energy: -91.443
tors. eta vs tors. theta energy: -178.348
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: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2025.928932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.928932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.928932 (E_RNA)
where:
Base-Base interactions energy: -1373.800
where: short stacking energy: -586.707
Base-Backbone interact. energy: -3.494
local terms energy: -648.635436
where:
bonds (distance) C4'-P energy: -123.592
bonds (distance) P-C4' energy: -134.679
flat angles C4'-P-C4' energy: -136.311
flat angles P-C4'-P energy: -80.219
tors. eta vs tors. theta energy: -173.835
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: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1863.207259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.207259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.207259 (E_RNA)
where:
Base-Base interactions energy: -1284.646
where: short stacking energy: -541.549
Base-Backbone interact. energy: -0.105
local terms energy: -578.456245
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -123.564
flat angles C4'-P-C4' energy: -129.423
flat angles P-C4'-P energy: -78.848
tors. eta vs tors. theta energy: -132.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1651.976262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.976262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.976262 (E_RNA)
where:
Base-Base interactions energy: -1065.442
where: short stacking energy: -456.804
Base-Backbone interact. energy: -2.765
local terms energy: -583.770197
where:
bonds (distance) C4'-P energy: -116.491
bonds (distance) P-C4' energy: -131.408
flat angles C4'-P-C4' energy: -128.511
flat angles P-C4'-P energy: -80.265
tors. eta vs tors. theta energy: -127.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1649.980450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.980450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.980450 (E_RNA)
where:
Base-Base interactions energy: -1092.514
where: short stacking energy: -472.485
Base-Backbone interact. energy: 0.055
local terms energy: -557.521354
where:
bonds (distance) C4'-P energy: -100.580
bonds (distance) P-C4' energy: -130.020
flat angles C4'-P-C4' energy: -129.654
flat angles P-C4'-P energy: -80.053
tors. eta vs tors. theta energy: -117.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1285.486117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.486117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.486117 (E_RNA)
where:
Base-Base interactions energy: -852.180
where: short stacking energy: -374.535
Base-Backbone interact. energy: 0.520
local terms energy: -433.826468
where:
bonds (distance) C4'-P energy: -90.955
bonds (distance) P-C4' energy: -102.839
flat angles C4'-P-C4' energy: -122.316
flat angles P-C4'-P energy: -53.343
tors. eta vs tors. theta energy: -64.373
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: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -903.971334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.971334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.971334 (E_RNA)
where:
Base-Base interactions energy: -494.181
where: short stacking energy: -255.357
Base-Backbone interact. energy: -4.108
local terms energy: -405.682727
where:
bonds (distance) C4'-P energy: -119.666
bonds (distance) P-C4' energy: -104.567
flat angles C4'-P-C4' energy: -112.215
flat angles P-C4'-P energy: -53.264
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -569.615843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.615843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.615843 (E_RNA)
where:
Base-Base interactions energy: -236.326
where: short stacking energy: -152.785
Base-Backbone interact. energy: -2.090
local terms energy: -331.200342
where:
bonds (distance) C4'-P energy: -101.239
bonds (distance) P-C4' energy: -107.153
flat angles C4'-P-C4' energy: -96.486
flat angles P-C4'-P energy: -45.427
tors. eta vs tors. theta energy: 19.105
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: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2307.393032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.393032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.393032 (E_RNA)
where:
Base-Base interactions energy: -1598.026
where: short stacking energy: -696.710
Base-Backbone interact. energy: -2.881
local terms energy: -706.485664
where:
bonds (distance) C4'-P energy: -123.492
bonds (distance) P-C4' energy: -123.258
flat angles C4'-P-C4' energy: -150.632
flat angles P-C4'-P energy: -107.949
tors. eta vs tors. theta energy: -201.155
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: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2286.861228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.861228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.861228 (E_RNA)
where:
Base-Base interactions energy: -1569.088
where: short stacking energy: -675.593
Base-Backbone interact. energy: -2.956
local terms energy: -714.816657
where:
bonds (distance) C4'-P energy: -133.898
bonds (distance) P-C4' energy: -132.372
flat angles C4'-P-C4' energy: -147.148
flat angles P-C4'-P energy: -105.180
tors. eta vs tors. theta energy: -196.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2132.660762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.660762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.660762 (E_RNA)
where:
Base-Base interactions energy: -1441.226
where: short stacking energy: -623.299
Base-Backbone interact. energy: -3.094
local terms energy: -688.341019
where:
bonds (distance) C4'-P energy: -125.315
bonds (distance) P-C4' energy: -146.302
flat angles C4'-P-C4' energy: -145.182
flat angles P-C4'-P energy: -94.077
tors. eta vs tors. theta energy: -177.466
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: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2047.541025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.541025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.541025 (E_RNA)
where:
Base-Base interactions energy: -1383.045
where: short stacking energy: -621.020
Base-Backbone interact. energy: -1.553
local terms energy: -662.942873
where:
bonds (distance) C4'-P energy: -116.225
bonds (distance) P-C4' energy: -129.549
flat angles C4'-P-C4' energy: -143.804
flat angles P-C4'-P energy: -91.107
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: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1894.016535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.016535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.016535 (E_RNA)
where:
Base-Base interactions energy: -1286.668
where: short stacking energy: -543.714
Base-Backbone interact. energy: -0.976
local terms energy: -606.373012
where:
bonds (distance) C4'-P energy: -122.952
bonds (distance) P-C4' energy: -120.207
flat angles C4'-P-C4' energy: -115.806
flat angles P-C4'-P energy: -94.574
tors. eta vs tors. theta energy: -152.833
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: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1657.821269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.821269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.821269 (E_RNA)
where:
Base-Base interactions energy: -1088.783
where: short stacking energy: -481.718
Base-Backbone interact. energy: -2.690
local terms energy: -566.348205
where:
bonds (distance) C4'-P energy: -106.575
bonds (distance) P-C4' energy: -119.557
flat angles C4'-P-C4' energy: -131.243
flat angles P-C4'-P energy: -92.583
tors. eta vs tors. theta energy: -116.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1649.683921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.683921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.683921 (E_RNA)
where:
Base-Base interactions energy: -1089.831
where: short stacking energy: -491.039
Base-Backbone interact. energy: 1.649
local terms energy: -561.501764
where:
bonds (distance) C4'-P energy: -101.643
bonds (distance) P-C4' energy: -117.143
flat angles C4'-P-C4' energy: -128.704
flat angles P-C4'-P energy: -81.939
tors. eta vs tors. theta energy: -132.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1331.513345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.513345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.513345 (E_RNA)
where:
Base-Base interactions energy: -861.880
where: short stacking energy: -397.507
Base-Backbone interact. energy: -3.687
local terms energy: -465.946329
where:
bonds (distance) C4'-P energy: -104.520
bonds (distance) P-C4' energy: -101.691
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -69.450
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -822.148958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.148958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.148958 (E_RNA)
where:
Base-Base interactions energy: -461.468
where: short stacking energy: -238.276
Base-Backbone interact. energy: 1.677
local terms energy: -362.357303
where:
bonds (distance) C4'-P energy: -101.523
bonds (distance) P-C4' energy: -113.489
flat angles C4'-P-C4' energy: -98.110
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -7.276
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: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -570.766188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.766188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.766188 (E_RNA)
where:
Base-Base interactions energy: -253.856
where: short stacking energy: -140.573
Base-Backbone interact. energy: -1.185
local terms energy: -315.725413
where:
bonds (distance) C4'-P energy: -105.227
bonds (distance) P-C4' energy: -119.357
flat angles C4'-P-C4' energy: -84.276
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: 31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2324.459095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.459095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.459095 (E_RNA)
where:
Base-Base interactions energy: -1622.271
where: short stacking energy: -701.903
Base-Backbone interact. energy: -4.640
local terms energy: -697.547629
where:
bonds (distance) C4'-P energy: -132.180
bonds (distance) P-C4' energy: -123.196
flat angles C4'-P-C4' energy: -145.030
flat angles P-C4'-P energy: -95.607
tors. eta vs tors. theta energy: -201.535
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2273.302974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.302974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.302974 (E_RNA)
where:
Base-Base interactions energy: -1583.105
where: short stacking energy: -650.019
Base-Backbone interact. energy: 0.607
local terms energy: -690.805046
where:
bonds (distance) C4'-P energy: -135.282
bonds (distance) P-C4' energy: -130.868
flat angles C4'-P-C4' energy: -147.945
flat angles P-C4'-P energy: -96.307
tors. eta vs tors. theta energy: -180.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2116.135431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.135431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.135431 (E_RNA)
where:
Base-Base interactions energy: -1437.939
where: short stacking energy: -596.023
Base-Backbone interact. energy: -1.694
local terms energy: -676.502214
where:
bonds (distance) C4'-P energy: -137.402
bonds (distance) P-C4' energy: -118.624
flat angles C4'-P-C4' energy: -144.252
flat angles P-C4'-P energy: -113.127
tors. eta vs tors. theta energy: -163.098
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: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2046.949921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.949921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.949921 (E_RNA)
where:
Base-Base interactions energy: -1356.130
where: short stacking energy: -615.583
Base-Backbone interact. energy: -3.931
local terms energy: -686.889251
where:
bonds (distance) C4'-P energy: -131.554
bonds (distance) P-C4' energy: -128.714
flat angles C4'-P-C4' energy: -146.381
flat angles P-C4'-P energy: -93.023
tors. eta vs tors. theta energy: -187.217
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: 5, replica: 1
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1913.440238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.440238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.440238 (E_RNA)
where:
Base-Base interactions energy: -1321.297
where: short stacking energy: -525.654
Base-Backbone interact. energy: 0.109
local terms energy: -592.251824
where:
bonds (distance) C4'-P energy: -110.352
bonds (distance) P-C4' energy: -126.640
flat angles C4'-P-C4' energy: -129.733
flat angles P-C4'-P energy: -85.637
tors. eta vs tors. theta energy: -139.890
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: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1678.618636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.618636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.618636 (E_RNA)
where:
Base-Base interactions energy: -1087.182
where: short stacking energy: -485.788
Base-Backbone interact. energy: -2.551
local terms energy: -588.885507
where:
bonds (distance) C4'-P energy: -113.712
bonds (distance) P-C4' energy: -128.125
flat angles C4'-P-C4' energy: -126.944
flat angles P-C4'-P energy: -86.983
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: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1570.943404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.943404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.943404 (E_RNA)
where:
Base-Base interactions energy: -1034.938
where: short stacking energy: -459.527
Base-Backbone interact. energy: -1.525
local terms energy: -534.480758
where:
bonds (distance) C4'-P energy: -95.711
bonds (distance) P-C4' energy: -121.163
flat angles C4'-P-C4' energy: -124.939
flat angles P-C4'-P energy: -72.145
tors. eta vs tors. theta energy: -120.523
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1275.868588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.868588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.868588 (E_RNA)
where:
Base-Base interactions energy: -796.746
where: short stacking energy: -373.883
Base-Backbone interact. energy: -2.076
local terms energy: -477.047040
where:
bonds (distance) C4'-P energy: -102.028
bonds (distance) P-C4' energy: -109.643
flat angles C4'-P-C4' energy: -121.457
flat angles P-C4'-P energy: -65.141
tors. eta vs tors. theta energy: -78.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -831.935754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.935754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.935754 (E_RNA)
where:
Base-Base interactions energy: -435.245
where: short stacking energy: -231.690
Base-Backbone interact. energy: -3.387
local terms energy: -393.304297
where:
bonds (distance) C4'-P energy: -102.484
bonds (distance) P-C4' energy: -114.288
flat angles C4'-P-C4' energy: -92.833
flat angles P-C4'-P energy: -58.265
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -589.591458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.591458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.591458 (E_RNA)
where:
Base-Base interactions energy: -300.963
where: short stacking energy: -199.095
Base-Backbone interact. energy: 5.112
local terms energy: -293.740170
where:
bonds (distance) C4'-P energy: -85.367
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -72.257
flat angles P-C4'-P energy: -35.261
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2299.811096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.811096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.811096 (E_RNA)
where:
Base-Base interactions energy: -1586.137
where: short stacking energy: -689.797
Base-Backbone interact. energy: -4.469
local terms energy: -709.205062
where:
bonds (distance) C4'-P energy: -135.894
bonds (distance) P-C4' energy: -130.646
flat angles C4'-P-C4' energy: -156.183
flat angles P-C4'-P energy: -87.287
tors. eta vs tors. theta energy: -199.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2259.121678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.121678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.121678 (E_RNA)
where:
Base-Base interactions energy: -1593.814
where: short stacking energy: -630.937
Base-Backbone interact. energy: -3.034
local terms energy: -662.274240
where:
bonds (distance) C4'-P energy: -121.790
bonds (distance) P-C4' energy: -127.630
flat angles C4'-P-C4' energy: -138.723
flat angles P-C4'-P energy: -97.840
tors. eta vs tors. theta energy: -176.291
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: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2073.152934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.152934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.152934 (E_RNA)
where:
Base-Base interactions energy: -1407.299
where: short stacking energy: -594.287
Base-Backbone interact. energy: -2.946
local terms energy: -662.907720
where:
bonds (distance) C4'-P energy: -135.199
bonds (distance) P-C4' energy: -132.984
flat angles C4'-P-C4' energy: -137.583
flat angles P-C4'-P energy: -85.199
tors. eta vs tors. theta energy: -171.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2036.735556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.735556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.735556 (E_RNA)
where:
Base-Base interactions energy: -1397.323
where: short stacking energy: -599.315
Base-Backbone interact. energy: -1.697
local terms energy: -637.715469
where:
bonds (distance) C4'-P energy: -128.006
bonds (distance) P-C4' energy: -108.762
flat angles C4'-P-C4' energy: -139.598
flat angles P-C4'-P energy: -90.596
tors. eta vs tors. theta energy: -170.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1905.465090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.465090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.465090 (E_RNA)
where:
Base-Base interactions energy: -1304.969
where: short stacking energy: -547.754
Base-Backbone interact. energy: 1.675
local terms energy: -602.171143
where:
bonds (distance) C4'-P energy: -104.678
bonds (distance) P-C4' energy: -124.241
flat angles C4'-P-C4' energy: -132.822
flat angles P-C4'-P energy: -84.424
tors. eta vs tors. theta energy: -156.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1701.030966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.030966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.030966 (E_RNA)
where:
Base-Base interactions energy: -1156.711
where: short stacking energy: -502.831
Base-Backbone interact. energy: -2.787
local terms energy: -541.533484
where:
bonds (distance) C4'-P energy: -106.602
bonds (distance) P-C4' energy: -110.401
flat angles C4'-P-C4' energy: -135.322
flat angles P-C4'-P energy: -61.565
tors. eta vs tors. theta energy: -127.643
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: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1622.401750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.401750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.401750 (E_RNA)
where:
Base-Base interactions energy: -1089.937
where: short stacking energy: -462.157
Base-Backbone interact. energy: 0.997
local terms energy: -533.461571
where:
bonds (distance) C4'-P energy: -95.420
bonds (distance) P-C4' energy: -128.175
flat angles C4'-P-C4' energy: -115.869
flat angles P-C4'-P energy: -89.074
tors. eta vs tors. theta energy: -104.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1219.673510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.673510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.673510 (E_RNA)
where:
Base-Base interactions energy: -737.720
where: short stacking energy: -360.950
Base-Backbone interact. energy: -0.386
local terms energy: -481.567355
where:
bonds (distance) C4'-P energy: -117.665
bonds (distance) P-C4' energy: -119.343
flat angles C4'-P-C4' energy: -106.809
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -75.835
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: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -861.522131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.522131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.522131 (E_RNA)
where:
Base-Base interactions energy: -453.403
where: short stacking energy: -268.192
Base-Backbone interact. energy: 4.978
local terms energy: -413.097116
where:
bonds (distance) C4'-P energy: -126.622
bonds (distance) P-C4' energy: -115.394
flat angles C4'-P-C4' energy: -96.842
flat angles P-C4'-P energy: -65.423
tors. eta vs tors. theta energy: -8.815
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: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -595.456885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.456885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.456885 (E_RNA)
where:
Base-Base interactions energy: -253.428
where: short stacking energy: -168.219
Base-Backbone interact. energy: 9.031
local terms energy: -351.059552
where:
bonds (distance) C4'-P energy: -103.622
bonds (distance) P-C4' energy: -112.300
flat angles C4'-P-C4' energy: -94.964
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: 13.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2329.863776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.863776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.863776 (E_RNA)
where:
Base-Base interactions energy: -1607.990
where: short stacking energy: -704.294
Base-Backbone interact. energy: -3.569
local terms energy: -718.304645
where:
bonds (distance) C4'-P energy: -128.957
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -149.299
flat angles P-C4'-P energy: -100.962
tors. eta vs tors. theta energy: -205.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2255.224177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.224177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.224177 (E_RNA)
where:
Base-Base interactions energy: -1578.701
where: short stacking energy: -647.616
Base-Backbone interact. energy: 1.193
local terms energy: -677.716379
where:
bonds (distance) C4'-P energy: -122.011
bonds (distance) P-C4' energy: -121.588
flat angles C4'-P-C4' energy: -155.490
flat angles P-C4'-P energy: -103.921
tors. eta vs tors. theta energy: -174.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2101.255770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.255770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.255770 (E_RNA)
where:
Base-Base interactions energy: -1420.933
where: short stacking energy: -629.893
Base-Backbone interact. energy: -2.558
local terms energy: -677.764570
where:
bonds (distance) C4'-P energy: -127.205
bonds (distance) P-C4' energy: -131.404
flat angles C4'-P-C4' energy: -146.399
flat angles P-C4'-P energy: -85.967
tors. eta vs tors. theta energy: -186.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2047.358594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.358594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.358594 (E_RNA)
where:
Base-Base interactions energy: -1393.827
where: short stacking energy: -600.784
Base-Backbone interact. energy: -5.023
local terms energy: -648.509470
where:
bonds (distance) C4'-P energy: -120.381
bonds (distance) P-C4' energy: -113.986
flat angles C4'-P-C4' energy: -143.830
flat angles P-C4'-P energy: -98.351
tors. eta vs tors. theta energy: -171.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1873.147797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.147797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.147797 (E_RNA)
where:
Base-Base interactions energy: -1272.209
where: short stacking energy: -524.834
Base-Backbone interact. energy: -0.033
local terms energy: -600.905911
where:
bonds (distance) C4'-P energy: -107.091
bonds (distance) P-C4' energy: -114.316
flat angles C4'-P-C4' energy: -131.799
flat angles P-C4'-P energy: -107.867
tors. eta vs tors. theta energy: -139.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1666.954714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.954714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.954714 (E_RNA)
where:
Base-Base interactions energy: -1143.180
where: short stacking energy: -471.721
Base-Backbone interact. energy: -0.281
local terms energy: -523.493027
where:
bonds (distance) C4'-P energy: -104.471
bonds (distance) P-C4' energy: -114.036
flat angles C4'-P-C4' energy: -123.740
flat angles P-C4'-P energy: -74.180
tors. eta vs tors. theta energy: -107.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1621.732256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.732256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.732256 (E_RNA)
where:
Base-Base interactions energy: -1110.765
where: short stacking energy: -443.654
Base-Backbone interact. energy: 2.562
local terms energy: -513.529181
where:
bonds (distance) C4'-P energy: -110.264
bonds (distance) P-C4' energy: -96.709
flat angles C4'-P-C4' energy: -123.166
flat angles P-C4'-P energy: -82.700
tors. eta vs tors. theta energy: -100.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1258.210233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.210233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.210233 (E_RNA)
where:
Base-Base interactions energy: -806.721
where: short stacking energy: -376.252
Base-Backbone interact. energy: 0.293
local terms energy: -451.782435
where:
bonds (distance) C4'-P energy: -101.194
bonds (distance) P-C4' energy: -110.473
flat angles C4'-P-C4' energy: -103.012
flat angles P-C4'-P energy: -67.945
tors. eta vs tors. theta energy: -69.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -792.891744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.891744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.891744 (E_RNA)
where:
Base-Base interactions energy: -430.451
where: short stacking energy: -212.425
Base-Backbone interact. energy: -2.177
local terms energy: -360.263781
where:
bonds (distance) C4'-P energy: -111.449
bonds (distance) P-C4' energy: -110.711
flat angles C4'-P-C4' energy: -80.698
flat angles P-C4'-P energy: -64.065
tors. eta vs tors. theta energy: 6.659
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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -608.844432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.844432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.844432 (E_RNA)
where:
Base-Base interactions energy: -244.941
where: short stacking energy: -146.563
Base-Backbone interact. energy: 2.719
local terms energy: -366.621906
where:
bonds (distance) C4'-P energy: -104.555
bonds (distance) P-C4' energy: -121.524
flat angles C4'-P-C4' energy: -101.274
flat angles P-C4'-P energy: -63.469
tors. eta vs tors. theta energy: 24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2334.344796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.344796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.344796 (E_RNA)
where:
Base-Base interactions energy: -1630.732
where: short stacking energy: -706.919
Base-Backbone interact. energy: -1.304
local terms energy: -702.308351
where:
bonds (distance) C4'-P energy: -135.648
bonds (distance) P-C4' energy: -119.908
flat angles C4'-P-C4' energy: -148.550
flat angles P-C4'-P energy: -104.012
tors. eta vs tors. theta energy: -194.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2246.786912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.786912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.786912 (E_RNA)
where:
Base-Base interactions energy: -1572.585
where: short stacking energy: -648.213
Base-Backbone interact. energy: -3.126
local terms energy: -671.076811
where:
bonds (distance) C4'-P energy: -126.126
bonds (distance) P-C4' energy: -136.679
flat angles C4'-P-C4' energy: -131.169
flat angles P-C4'-P energy: -97.288
tors. eta vs tors. theta energy: -179.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2069.385125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.385125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.385125 (E_RNA)
where:
Base-Base interactions energy: -1431.138
where: short stacking energy: -616.596
Base-Backbone interact. energy: -4.205
local terms energy: -634.041709
where:
bonds (distance) C4'-P energy: -123.397
bonds (distance) P-C4' energy: -105.159
flat angles C4'-P-C4' energy: -129.954
flat angles P-C4'-P energy: -94.310
tors. eta vs tors. theta energy: -181.221
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: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2033.785385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.785385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.785385 (E_RNA)
where:
Base-Base interactions energy: -1397.318
where: short stacking energy: -614.033
Base-Backbone interact. energy: -3.195
local terms energy: -633.272758
where:
bonds (distance) C4'-P energy: -115.624
bonds (distance) P-C4' energy: -119.416
flat angles C4'-P-C4' energy: -142.294
flat angles P-C4'-P energy: -96.198
tors. eta vs tors. theta energy: -159.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1850.273007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.273007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.273007 (E_RNA)
where:
Base-Base interactions energy: -1251.765
where: short stacking energy: -547.218
Base-Backbone interact. energy: -1.123
local terms energy: -597.385114
where:
bonds (distance) C4'-P energy: -119.295
bonds (distance) P-C4' energy: -120.552
flat angles C4'-P-C4' energy: -122.590
flat angles P-C4'-P energy: -87.211
tors. eta vs tors. theta energy: -147.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1601.806793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.806793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.806793 (E_RNA)
where:
Base-Base interactions energy: -1055.206
where: short stacking energy: -470.493
Base-Backbone interact. energy: -3.144
local terms energy: -543.456923
where:
bonds (distance) C4'-P energy: -98.138
bonds (distance) P-C4' energy: -118.210
flat angles C4'-P-C4' energy: -121.268
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -122.968
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: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1656.265028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.265028 (E_RNA)
where:
Base-Base interactions energy: -1146.169
where: short stacking energy: -490.236
Base-Backbone interact. energy: -4.327
local terms energy: -505.768690
where:
bonds (distance) C4'-P energy: -105.047
bonds (distance) P-C4' energy: -104.809
flat angles C4'-P-C4' energy: -115.878
flat angles P-C4'-P energy: -68.518
tors. eta vs tors. theta energy: -111.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1159.901713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.901713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.901713 (E_RNA)
where:
Base-Base interactions energy: -669.954
where: short stacking energy: -329.850
Base-Backbone interact. energy: 0.262
local terms energy: -490.210175
where:
bonds (distance) C4'-P energy: -129.397
bonds (distance) P-C4' energy: -115.295
flat angles C4'-P-C4' energy: -100.518
flat angles P-C4'-P energy: -77.477
tors. eta vs tors. theta energy: -67.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -863.526126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.526126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.526126 (E_RNA)
where:
Base-Base interactions energy: -460.416
where: short stacking energy: -242.696
Base-Backbone interact. energy: -2.164
local terms energy: -400.946495
where:
bonds (distance) C4'-P energy: -100.869
bonds (distance) P-C4' energy: -119.397
flat angles C4'-P-C4' energy: -99.267
flat angles P-C4'-P energy: -51.940
tors. eta vs tors. theta energy: -29.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -606.732896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.732896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.732896 (E_RNA)
where:
Base-Base interactions energy: -250.288
where: short stacking energy: -152.415
Base-Backbone interact. energy: 4.080
local terms energy: -360.524929
where:
bonds (distance) C4'-P energy: -92.601
bonds (distance) P-C4' energy: -124.911
flat angles C4'-P-C4' energy: -103.928
flat angles P-C4'-P energy: -47.503
tors. eta vs tors. theta energy: 8.418
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: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2340.771300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.771300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.771300 (E_RNA)
where:
Base-Base interactions energy: -1629.547
where: short stacking energy: -694.411
Base-Backbone interact. energy: 0.682
local terms energy: -711.905824
where:
bonds (distance) C4'-P energy: -137.026
bonds (distance) P-C4' energy: -127.569
flat angles C4'-P-C4' energy: -151.807
flat angles P-C4'-P energy: -93.966
tors. eta vs tors. theta energy: -201.538
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: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2241.820002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.820002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.820002 (E_RNA)
where:
Base-Base interactions energy: -1619.695
where: short stacking energy: -637.063
Base-Backbone interact. energy: -3.427
local terms energy: -618.697597
where:
bonds (distance) C4'-P energy: -104.316
bonds (distance) P-C4' energy: -103.621
flat angles C4'-P-C4' energy: -134.978
flat angles P-C4'-P energy: -86.349
tors. eta vs tors. theta energy: -189.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2081.184087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.184087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.184087 (E_RNA)
where:
Base-Base interactions energy: -1419.187
where: short stacking energy: -587.136
Base-Backbone interact. energy: -1.820
local terms energy: -660.176676
where:
bonds (distance) C4'-P energy: -119.881
bonds (distance) P-C4' energy: -111.322
flat angles C4'-P-C4' energy: -150.724
flat angles P-C4'-P energy: -105.504
tors. eta vs tors. theta energy: -172.746
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: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2006.751509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.751509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.751509 (E_RNA)
where:
Base-Base interactions energy: -1391.440
where: short stacking energy: -582.256
Base-Backbone interact. energy: 1.893
local terms energy: -617.205192
where:
bonds (distance) C4'-P energy: -114.498
bonds (distance) P-C4' energy: -119.023
flat angles C4'-P-C4' energy: -135.382
flat angles P-C4'-P energy: -87.980
tors. eta vs tors. theta energy: -160.322
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: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1879.473447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.473447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.473447 (E_RNA)
where:
Base-Base interactions energy: -1268.191
where: short stacking energy: -537.639
Base-Backbone interact. energy: 3.134
local terms energy: -614.416560
where:
bonds (distance) C4'-P energy: -118.930
bonds (distance) P-C4' energy: -130.389
flat angles C4'-P-C4' energy: -123.132
flat angles P-C4'-P energy: -93.830
tors. eta vs tors. theta energy: -148.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1738.479899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.479899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.479899 (E_RNA)
where:
Base-Base interactions energy: -1191.894
where: short stacking energy: -508.420
Base-Backbone interact. energy: -1.574
local terms energy: -545.011487
where:
bonds (distance) C4'-P energy: -98.045
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -127.254
flat angles P-C4'-P energy: -81.272
tors. eta vs tors. theta energy: -111.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1578.070867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.070867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.070867 (E_RNA)
where:
Base-Base interactions energy: -1055.662
where: short stacking energy: -447.322
Base-Backbone interact. energy: -4.796
local terms energy: -517.612763
where:
bonds (distance) C4'-P energy: -109.223
bonds (distance) P-C4' energy: -120.706
flat angles C4'-P-C4' energy: -118.355
flat angles P-C4'-P energy: -68.141
tors. eta vs tors. theta energy: -101.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1139.032031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.032031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.032031 (E_RNA)
where:
Base-Base interactions energy: -674.443
where: short stacking energy: -350.331
Base-Backbone interact. energy: 3.476
local terms energy: -468.064593
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -120.014
flat angles C4'-P-C4' energy: -120.657
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -58.373
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: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -852.831364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.831364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.831364 (E_RNA)
where:
Base-Base interactions energy: -439.190
where: short stacking energy: -262.016
Base-Backbone interact. energy: 0.243
local terms energy: -413.884602
where:
bonds (distance) C4'-P energy: -101.003
bonds (distance) P-C4' energy: -116.283
flat angles C4'-P-C4' energy: -103.544
flat angles P-C4'-P energy: -64.851
tors. eta vs tors. theta energy: -28.203
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: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -608.876459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.876459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.876459 (E_RNA)
where:
Base-Base interactions energy: -293.041
where: short stacking energy: -196.121
Base-Backbone interact. energy: 4.731
local terms energy: -320.566173
where:
bonds (distance) C4'-P energy: -99.922
bonds (distance) P-C4' energy: -97.002
flat angles C4'-P-C4' energy: -90.496
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: 6.745
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: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2384.970504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.970504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.970504 (E_RNA)
where:
Base-Base interactions energy: -1640.902
where: short stacking energy: -720.517
Base-Backbone interact. energy: -0.971
local terms energy: -743.097065
where:
bonds (distance) C4'-P energy: -147.692
bonds (distance) P-C4' energy: -135.320
flat angles C4'-P-C4' energy: -153.442
flat angles P-C4'-P energy: -91.634
tors. eta vs tors. theta energy: -215.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2269.308145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.308145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.308145 (E_RNA)
where:
Base-Base interactions energy: -1606.097
where: short stacking energy: -650.224
Base-Backbone interact. energy: -0.745
local terms energy: -662.465879
where:
bonds (distance) C4'-P energy: -122.132
bonds (distance) P-C4' energy: -118.773
flat angles C4'-P-C4' energy: -143.976
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -189.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2062.751459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.751459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.751459 (E_RNA)
where:
Base-Base interactions energy: -1432.509
where: short stacking energy: -584.306
Base-Backbone interact. energy: -1.745
local terms energy: -628.497529
where:
bonds (distance) C4'-P energy: -127.047
bonds (distance) P-C4' energy: -120.106
flat angles C4'-P-C4' energy: -131.894
flat angles P-C4'-P energy: -86.241
tors. eta vs tors. theta energy: -163.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1998.536444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.536444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.536444 (E_RNA)
where:
Base-Base interactions energy: -1359.973
where: short stacking energy: -573.707
Base-Backbone interact. energy: -3.590
local terms energy: -634.974015
where:
bonds (distance) C4'-P energy: -125.354
bonds (distance) P-C4' energy: -130.261
flat angles C4'-P-C4' energy: -144.454
flat angles P-C4'-P energy: -68.973
tors. eta vs tors. theta energy: -165.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1912.210053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.210053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.210053 (E_RNA)
where:
Base-Base interactions energy: -1293.580
where: short stacking energy: -543.488
Base-Backbone interact. energy: 0.086
local terms energy: -618.716276
where:
bonds (distance) C4'-P energy: -116.684
bonds (distance) P-C4' energy: -139.995
flat angles C4'-P-C4' energy: -124.058
flat angles P-C4'-P energy: -88.835
tors. eta vs tors. theta energy: -149.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1740.002171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.002171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.002171 (E_RNA)
where:
Base-Base interactions energy: -1202.021
where: short stacking energy: -526.253
Base-Backbone interact. energy: 0.173
local terms energy: -538.155007
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -110.881
flat angles C4'-P-C4' energy: -114.527
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -138.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1547.723893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.723893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.723893 (E_RNA)
where:
Base-Base interactions energy: -1023.440
where: short stacking energy: -459.918
Base-Backbone interact. energy: -0.493
local terms energy: -523.790683
where:
bonds (distance) C4'-P energy: -105.952
bonds (distance) P-C4' energy: -124.128
flat angles C4'-P-C4' energy: -120.527
flat angles P-C4'-P energy: -73.722
tors. eta vs tors. theta energy: -99.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1175.197913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.197913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.197913 (E_RNA)
where:
Base-Base interactions energy: -719.202
where: short stacking energy: -361.429
Base-Backbone interact. energy: 3.263
local terms energy: -459.259760
where:
bonds (distance) C4'-P energy: -107.360
bonds (distance) P-C4' energy: -110.374
flat angles C4'-P-C4' energy: -111.329
flat angles P-C4'-P energy: -56.731
tors. eta vs tors. theta energy: -73.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -853.585340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.585340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.585340 (E_RNA)
where:
Base-Base interactions energy: -429.138
where: short stacking energy: -238.260
Base-Backbone interact. energy: -0.365
local terms energy: -424.082359
where:
bonds (distance) C4'-P energy: -117.901
bonds (distance) P-C4' energy: -114.032
flat angles C4'-P-C4' energy: -107.448
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -608.077287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.077287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.077287 (E_RNA)
where:
Base-Base interactions energy: -276.196
where: short stacking energy: -204.761
Base-Backbone interact. energy: 6.324
local terms energy: -338.205945
where:
bonds (distance) C4'-P energy: -94.457
bonds (distance) P-C4' energy: -106.581
flat angles C4'-P-C4' energy: -95.554
flat angles P-C4'-P energy: -48.755
tors. eta vs tors. theta energy: 7.141
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: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2358.685706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.685706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.685706 (E_RNA)
where:
Base-Base interactions energy: -1622.837
where: short stacking energy: -710.643
Base-Backbone interact. energy: -2.177
local terms energy: -733.671893
where:
bonds (distance) C4'-P energy: -126.540
bonds (distance) P-C4' energy: -132.295
flat angles C4'-P-C4' energy: -158.163
flat angles P-C4'-P energy: -111.272
tors. eta vs tors. theta energy: -205.403
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: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2248.920333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.920333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.920333 (E_RNA)
where:
Base-Base interactions energy: -1578.758
where: short stacking energy: -642.499
Base-Backbone interact. energy: 3.168
local terms energy: -673.330282
where:
bonds (distance) C4'-P energy: -124.554
bonds (distance) P-C4' energy: -122.673
flat angles C4'-P-C4' energy: -146.190
flat angles P-C4'-P energy: -97.126
tors. eta vs tors. theta energy: -182.788
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: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2084.795341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.795341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.795341 (E_RNA)
where:
Base-Base interactions energy: -1454.825
where: short stacking energy: -599.895
Base-Backbone interact. energy: -0.009
local terms energy: -629.962027
where:
bonds (distance) C4'-P energy: -109.578
bonds (distance) P-C4' energy: -123.152
flat angles C4'-P-C4' energy: -127.337
flat angles P-C4'-P energy: -101.454
tors. eta vs tors. theta energy: -168.442
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: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2013.619346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.619346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.619346 (E_RNA)
where:
Base-Base interactions energy: -1361.279
where: short stacking energy: -587.032
Base-Backbone interact. energy: -3.618
local terms energy: -648.722852
where:
bonds (distance) C4'-P energy: -119.814
bonds (distance) P-C4' energy: -122.111
flat angles C4'-P-C4' energy: -141.500
flat angles P-C4'-P energy: -94.692
tors. eta vs tors. theta energy: -170.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1883.627631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.627631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.627631 (E_RNA)
where:
Base-Base interactions energy: -1284.832
where: short stacking energy: -556.424
Base-Backbone interact. energy: 1.647
local terms energy: -600.442998
where:
bonds (distance) C4'-P energy: -97.039
bonds (distance) P-C4' energy: -124.685
flat angles C4'-P-C4' energy: -153.403
flat angles P-C4'-P energy: -79.969
tors. eta vs tors. theta energy: -145.347
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1789.589656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.589656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.589656 (E_RNA)
where:
Base-Base interactions energy: -1226.433
where: short stacking energy: -490.172
Base-Backbone interact. energy: -1.279
local terms energy: -561.878467
where:
bonds (distance) C4'-P energy: -109.472
bonds (distance) P-C4' energy: -117.669
flat angles C4'-P-C4' energy: -120.801
flat angles P-C4'-P energy: -88.829
tors. eta vs tors. theta energy: -125.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1528.823795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.823795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.823795 (E_RNA)
where:
Base-Base interactions energy: -989.713
where: short stacking energy: -411.381
Base-Backbone interact. energy: -5.162
local terms energy: -533.948966
where:
bonds (distance) C4'-P energy: -129.701
bonds (distance) P-C4' energy: -103.368
flat angles C4'-P-C4' energy: -119.768
flat angles P-C4'-P energy: -73.559
tors. eta vs tors. theta energy: -107.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1240.854970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.854970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.854970 (E_RNA)
where:
Base-Base interactions energy: -773.498
where: short stacking energy: -336.872
Base-Backbone interact. energy: 5.929
local terms energy: -473.285257
where:
bonds (distance) C4'-P energy: -98.318
bonds (distance) P-C4' energy: -110.865
flat angles C4'-P-C4' energy: -106.456
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -78.814
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: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -902.482806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.482806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.482806 (E_RNA)
where:
Base-Base interactions energy: -534.164
where: short stacking energy: -270.196
Base-Backbone interact. energy: 0.480
local terms energy: -368.799015
where:
bonds (distance) C4'-P energy: -105.564
bonds (distance) P-C4' energy: -92.515
flat angles C4'-P-C4' energy: -112.667
flat angles P-C4'-P energy: -43.511
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -623.927797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.927797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.927797 (E_RNA)
where:
Base-Base interactions energy: -283.386
where: short stacking energy: -178.579
Base-Backbone interact. energy: 2.181
local terms energy: -342.722795
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -120.906
flat angles C4'-P-C4' energy: -87.794
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: 10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2380.854773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.854773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.854773 (E_RNA)
where:
Base-Base interactions energy: -1657.512
where: short stacking energy: -704.668
Base-Backbone interact. energy: -3.843
local terms energy: -719.499869
where:
bonds (distance) C4'-P energy: -131.313
bonds (distance) P-C4' energy: -141.549
flat angles C4'-P-C4' energy: -148.430
flat angles P-C4'-P energy: -99.868
tors. eta vs tors. theta energy: -198.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2259.067199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.067199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.067199 (E_RNA)
where:
Base-Base interactions energy: -1590.614
where: short stacking energy: -636.092
Base-Backbone interact. energy: -1.426
local terms energy: -667.026884
where:
bonds (distance) C4'-P energy: -128.217
bonds (distance) P-C4' energy: -128.156
flat angles C4'-P-C4' energy: -143.540
flat angles P-C4'-P energy: -89.808
tors. eta vs tors. theta energy: -177.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2133.722891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.722891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.722891 (E_RNA)
where:
Base-Base interactions energy: -1498.411
where: short stacking energy: -618.717
Base-Backbone interact. energy: -1.156
local terms energy: -634.155179
where:
bonds (distance) C4'-P energy: -112.581
bonds (distance) P-C4' energy: -126.272
flat angles C4'-P-C4' energy: -143.678
flat angles P-C4'-P energy: -87.755
tors. eta vs tors. theta energy: -163.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2035.788185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.788185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.788185 (E_RNA)
where:
Base-Base interactions energy: -1368.354
where: short stacking energy: -591.088
Base-Backbone interact. energy: -3.189
local terms energy: -664.245045
where:
bonds (distance) C4'-P energy: -111.762
bonds (distance) P-C4' energy: -145.014
flat angles C4'-P-C4' energy: -147.006
flat angles P-C4'-P energy: -85.979
tors. eta vs tors. theta energy: -174.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1868.928594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.928594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.928594 (E_RNA)
where:
Base-Base interactions energy: -1277.176
where: short stacking energy: -527.371
Base-Backbone interact. energy: -4.499
local terms energy: -587.252794
where:
bonds (distance) C4'-P energy: -108.398
bonds (distance) P-C4' energy: -105.398
flat angles C4'-P-C4' energy: -127.281
flat angles P-C4'-P energy: -101.965
tors. eta vs tors. theta energy: -144.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1756.050534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.050534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.050534 (E_RNA)
where:
Base-Base interactions energy: -1196.959
where: short stacking energy: -520.791
Base-Backbone interact. energy: 0.391
local terms energy: -559.483439
where:
bonds (distance) C4'-P energy: -104.388
bonds (distance) P-C4' energy: -123.522
flat angles C4'-P-C4' energy: -112.987
flat angles P-C4'-P energy: -84.525
tors. eta vs tors. theta energy: -134.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1468.013729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.013729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.013729 (E_RNA)
where:
Base-Base interactions energy: -957.132
where: short stacking energy: -422.716
Base-Backbone interact. energy: -3.107
local terms energy: -507.775105
where:
bonds (distance) C4'-P energy: -98.660
bonds (distance) P-C4' energy: -105.417
flat angles C4'-P-C4' energy: -118.384
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -106.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1208.611177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.611177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.611177 (E_RNA)
where:
Base-Base interactions energy: -763.474
where: short stacking energy: -346.018
Base-Backbone interact. energy: 1.632
local terms energy: -446.769582
where:
bonds (distance) C4'-P energy: -96.883
bonds (distance) P-C4' energy: -101.112
flat angles C4'-P-C4' energy: -109.999
flat angles P-C4'-P energy: -78.904
tors. eta vs tors. theta energy: -59.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -862.321967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.321967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.321967 (E_RNA)
where:
Base-Base interactions energy: -482.698
where: short stacking energy: -246.944
Base-Backbone interact. energy: 1.088
local terms energy: -380.711845
where:
bonds (distance) C4'-P energy: -98.887
bonds (distance) P-C4' energy: -89.275
flat angles C4'-P-C4' energy: -118.683
flat angles P-C4'-P energy: -67.878
tors. eta vs tors. theta energy: -5.989
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: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -577.804350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.804350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.804350 (E_RNA)
where:
Base-Base interactions energy: -252.495
where: short stacking energy: -145.641
Base-Backbone interact. energy: 9.281
local terms energy: -334.590850
where:
bonds (distance) C4'-P energy: -101.199
bonds (distance) P-C4' energy: -130.609
flat angles C4'-P-C4' energy: -70.161
flat angles P-C4'-P energy: -58.295
tors. eta vs tors. theta energy: 25.674
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: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2355.063143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.063143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.063143 (E_RNA)
where:
Base-Base interactions energy: -1616.623
where: short stacking energy: -685.976
Base-Backbone interact. energy: -3.658
local terms energy: -734.782922
where:
bonds (distance) C4'-P energy: -142.799
bonds (distance) P-C4' energy: -132.765
flat angles C4'-P-C4' energy: -156.597
flat angles P-C4'-P energy: -102.229
tors. eta vs tors. theta energy: -200.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2274.824972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.824972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.824972 (E_RNA)
where:
Base-Base interactions energy: -1581.752
where: short stacking energy: -642.246
Base-Backbone interact. energy: -0.067
local terms energy: -693.006059
where:
bonds (distance) C4'-P energy: -134.088
bonds (distance) P-C4' energy: -131.712
flat angles C4'-P-C4' energy: -136.171
flat angles P-C4'-P energy: -100.987
tors. eta vs tors. theta energy: -190.047
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: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2093.384132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.384132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.384132 (E_RNA)
where:
Base-Base interactions energy: -1446.559
where: short stacking energy: -607.419
Base-Backbone interact. energy: -3.090
local terms energy: -643.734430
where:
bonds (distance) C4'-P energy: -112.333
bonds (distance) P-C4' energy: -130.424
flat angles C4'-P-C4' energy: -148.138
flat angles P-C4'-P energy: -84.743
tors. eta vs tors. theta energy: -168.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1986.790704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.790704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.790704 (E_RNA)
where:
Base-Base interactions energy: -1369.936
where: short stacking energy: -574.909
Base-Backbone interact. energy: -4.550
local terms energy: -612.304172
where:
bonds (distance) C4'-P energy: -118.780
bonds (distance) P-C4' energy: -121.240
flat angles C4'-P-C4' energy: -132.598
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -156.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1921.456285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.456285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.456285 (E_RNA)
where:
Base-Base interactions energy: -1279.376
where: short stacking energy: -548.259
Base-Backbone interact. energy: -0.062
local terms energy: -642.018409
where:
bonds (distance) C4'-P energy: -122.963
bonds (distance) P-C4' energy: -132.322
flat angles C4'-P-C4' energy: -141.795
flat angles P-C4'-P energy: -79.833
tors. eta vs tors. theta energy: -165.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1775.016397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.016397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.016397 (E_RNA)
where:
Base-Base interactions energy: -1213.668
where: short stacking energy: -499.912
Base-Backbone interact. energy: 1.462
local terms energy: -562.810935
where:
bonds (distance) C4'-P energy: -110.688
bonds (distance) P-C4' energy: -118.328
flat angles C4'-P-C4' energy: -129.500
flat angles P-C4'-P energy: -83.862
tors. eta vs tors. theta energy: -120.432
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: 245
Temperature: 1.200000
Total energy: -1393.087290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.087290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.087290 (E_RNA)
where:
Base-Base interactions energy: -935.125
where: short stacking energy: -391.292
Base-Backbone interact. energy: -3.633
local terms energy: -454.328466
where:
bonds (distance) C4'-P energy: -112.034
bonds (distance) P-C4' energy: -117.599
flat angles C4'-P-C4' energy: -122.855
flat angles P-C4'-P energy: -34.230
tors. eta vs tors. theta energy: -67.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1281.440717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.440717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.440717 (E_RNA)
where:
Base-Base interactions energy: -808.379
where: short stacking energy: -400.990
Base-Backbone interact. energy: 0.950
local terms energy: -474.011419
where:
bonds (distance) C4'-P energy: -109.552
bonds (distance) P-C4' energy: -95.422
flat angles C4'-P-C4' energy: -136.457
flat angles P-C4'-P energy: -53.308
tors. eta vs tors. theta energy: -79.272
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: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -819.711159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.711159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.711159 (E_RNA)
where:
Base-Base interactions energy: -435.977
where: short stacking energy: -258.270
Base-Backbone interact. energy: 1.834
local terms energy: -385.567691
where:
bonds (distance) C4'-P energy: -109.173
bonds (distance) P-C4' energy: -105.491
flat angles C4'-P-C4' energy: -91.956
flat angles P-C4'-P energy: -54.972
tors. eta vs tors. theta energy: -23.975
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: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -614.653268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.653268 (E_RNA)
where:
Base-Base interactions energy: -280.828
where: short stacking energy: -183.002
Base-Backbone interact. energy: -0.318
local terms energy: -333.507897
where:
bonds (distance) C4'-P energy: -102.004
bonds (distance) P-C4' energy: -102.309
flat angles C4'-P-C4' energy: -86.205
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: 9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2367.399838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.399838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.399838 (E_RNA)
where:
Base-Base interactions energy: -1630.584
where: short stacking energy: -707.378
Base-Backbone interact. energy: -3.901
local terms energy: -732.914900
where:
bonds (distance) C4'-P energy: -134.999
bonds (distance) P-C4' energy: -138.875
flat angles C4'-P-C4' energy: -155.931
flat angles P-C4'-P energy: -102.605
tors. eta vs tors. theta energy: -200.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2254.551347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.551347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.551347 (E_RNA)
where:
Base-Base interactions energy: -1572.480
where: short stacking energy: -633.560
Base-Backbone interact. energy: 0.767
local terms energy: -682.838019
where:
bonds (distance) C4'-P energy: -124.147
bonds (distance) P-C4' energy: -135.337
flat angles C4'-P-C4' energy: -151.015
flat angles P-C4'-P energy: -89.204
tors. eta vs tors. theta energy: -183.134
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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2077.060679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.060679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.060679 (E_RNA)
where:
Base-Base interactions energy: -1424.624
where: short stacking energy: -588.963
Base-Backbone interact. energy: -6.508
local terms energy: -645.928685
where:
bonds (distance) C4'-P energy: -112.470
bonds (distance) P-C4' energy: -131.274
flat angles C4'-P-C4' energy: -140.779
flat angles P-C4'-P energy: -96.988
tors. eta vs tors. theta energy: -164.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2009.678002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.678002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.678002 (E_RNA)
where:
Base-Base interactions energy: -1347.682
where: short stacking energy: -572.220
Base-Backbone interact. energy: -4.662
local terms energy: -657.334017
where:
bonds (distance) C4'-P energy: -121.281
bonds (distance) P-C4' energy: -142.401
flat angles C4'-P-C4' energy: -139.091
flat angles P-C4'-P energy: -83.937
tors. eta vs tors. theta energy: -170.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1889.455565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.455565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.455565 (E_RNA)
where:
Base-Base interactions energy: -1297.252
where: short stacking energy: -521.230
Base-Backbone interact. energy: -2.466
local terms energy: -589.738063
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -120.811
flat angles C4'-P-C4' energy: -127.392
flat angles P-C4'-P energy: -87.363
tors. eta vs tors. theta energy: -143.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1772.748361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.748361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.748361 (E_RNA)
where:
Base-Base interactions energy: -1214.028
where: short stacking energy: -504.447
Base-Backbone interact. energy: -1.383
local terms energy: -557.336841
where:
bonds (distance) C4'-P energy: -112.933
bonds (distance) P-C4' energy: -117.981
flat angles C4'-P-C4' energy: -106.732
flat angles P-C4'-P energy: -89.825
tors. eta vs tors. theta energy: -129.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1348.259390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.259390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.259390 (E_RNA)
where:
Base-Base interactions energy: -852.836
where: short stacking energy: -376.693
Base-Backbone interact. energy: 2.282
local terms energy: -497.705155
where:
bonds (distance) C4'-P energy: -117.094
bonds (distance) P-C4' energy: -121.032
flat angles C4'-P-C4' energy: -129.348
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -62.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1292.030999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.030999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.030999 (E_RNA)
where:
Base-Base interactions energy: -817.931
where: short stacking energy: -349.785
Base-Backbone interact. energy: 2.604
local terms energy: -476.704394
where:
bonds (distance) C4'-P energy: -113.874
bonds (distance) P-C4' energy: -105.615
flat angles C4'-P-C4' energy: -109.249
flat angles P-C4'-P energy: -86.833
tors. eta vs tors. theta energy: -61.133
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: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -801.516113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.516113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.516113 (E_RNA)
where:
Base-Base interactions energy: -410.710
where: short stacking energy: -224.527
Base-Backbone interact. energy: -0.352
local terms energy: -390.453601
where:
bonds (distance) C4'-P energy: -121.528
bonds (distance) P-C4' energy: -112.757
flat angles C4'-P-C4' energy: -92.696
flat angles P-C4'-P energy: -52.827
tors. eta vs tors. theta energy: -10.646
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: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -644.484343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.484343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.484343 (E_RNA)
where:
Base-Base interactions energy: -288.850
where: short stacking energy: -151.470
Base-Backbone interact. energy: 1.063
local terms energy: -356.697378
where:
bonds (distance) C4'-P energy: -109.927
bonds (distance) P-C4' energy: -108.177
flat angles C4'-P-C4' energy: -77.938
flat angles P-C4'-P energy: -66.347
tors. eta vs tors. theta energy: 5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2345.179246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.179246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.179246 (E_RNA)
where:
Base-Base interactions energy: -1641.355
where: short stacking energy: -694.978
Base-Backbone interact. energy: 1.587
local terms energy: -705.411707
where:
bonds (distance) C4'-P energy: -129.271
bonds (distance) P-C4' energy: -136.194
flat angles C4'-P-C4' energy: -142.869
flat angles P-C4'-P energy: -99.770
tors. eta vs tors. theta energy: -197.309
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: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2248.613380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.613380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.613380 (E_RNA)
where:
Base-Base interactions energy: -1593.053
where: short stacking energy: -637.828
Base-Backbone interact. energy: 1.841
local terms energy: -657.401372
where:
bonds (distance) C4'-P energy: -122.864
bonds (distance) P-C4' energy: -119.972
flat angles C4'-P-C4' energy: -134.950
flat angles P-C4'-P energy: -103.493
tors. eta vs tors. theta energy: -176.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2109.097570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.097570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.097570 (E_RNA)
where:
Base-Base interactions energy: -1476.397
where: short stacking energy: -613.403
Base-Backbone interact. energy: 0.271
local terms energy: -632.971513
where:
bonds (distance) C4'-P energy: -118.148
bonds (distance) P-C4' energy: -126.003
flat angles C4'-P-C4' energy: -142.647
flat angles P-C4'-P energy: -78.611
tors. eta vs tors. theta energy: -167.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2001.978165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.978165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.978165 (E_RNA)
where:
Base-Base interactions energy: -1391.462
where: short stacking energy: -587.225
Base-Backbone interact. energy: -4.199
local terms energy: -606.316670
where:
bonds (distance) C4'-P energy: -110.645
bonds (distance) P-C4' energy: -110.898
flat angles C4'-P-C4' energy: -131.624
flat angles P-C4'-P energy: -89.518
tors. eta vs tors. theta energy: -163.632
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: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1868.100160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.100160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.100160 (E_RNA)
where:
Base-Base interactions energy: -1289.294
where: short stacking energy: -515.193
Base-Backbone interact. energy: -2.599
local terms energy: -576.207626
where:
bonds (distance) C4'-P energy: -118.739
bonds (distance) P-C4' energy: -111.140
flat angles C4'-P-C4' energy: -133.107
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -135.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1772.028728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.028728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.028728 (E_RNA)
where:
Base-Base interactions energy: -1240.366
where: short stacking energy: -501.579
Base-Backbone interact. energy: -3.567
local terms energy: -528.095705
where:
bonds (distance) C4'-P energy: -98.926
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -121.237
flat angles P-C4'-P energy: -74.794
tors. eta vs tors. theta energy: -122.645
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: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1385.041568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.041568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.041568 (E_RNA)
where:
Base-Base interactions energy: -857.758
where: short stacking energy: -396.229
Base-Backbone interact. energy: -2.640
local terms energy: -524.643372
where:
bonds (distance) C4'-P energy: -125.124
bonds (distance) P-C4' energy: -111.269
flat angles C4'-P-C4' energy: -124.323
flat angles P-C4'-P energy: -80.980
tors. eta vs tors. theta energy: -82.947
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: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1341.968574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.968574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.968574 (E_RNA)
where:
Base-Base interactions energy: -865.190
where: short stacking energy: -398.931
Base-Backbone interact. energy: 2.465
local terms energy: -479.243064
where:
bonds (distance) C4'-P energy: -120.256
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -97.482
flat angles P-C4'-P energy: -66.227
tors. eta vs tors. theta energy: -92.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -837.652448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.652448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.652448 (E_RNA)
where:
Base-Base interactions energy: -440.572
where: short stacking energy: -227.967
Base-Backbone interact. energy: -1.977
local terms energy: -395.103737
where:
bonds (distance) C4'-P energy: -102.896
bonds (distance) P-C4' energy: -108.942
flat angles C4'-P-C4' energy: -116.511
flat angles P-C4'-P energy: -54.367
tors. eta vs tors. theta energy: -12.387
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: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -602.178209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.178209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.178209 (E_RNA)
where:
Base-Base interactions energy: -284.118
where: short stacking energy: -197.726
Base-Backbone interact. energy: 10.782
local terms energy: -328.842054
where:
bonds (distance) C4'-P energy: -91.220
bonds (distance) P-C4' energy: -108.909
flat angles C4'-P-C4' energy: -90.228
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: 10.206
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: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2359.810072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.810072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.810072 (E_RNA)
where:
Base-Base interactions energy: -1629.314
where: short stacking energy: -702.779
Base-Backbone interact. energy: -2.010
local terms energy: -728.485468
where:
bonds (distance) C4'-P energy: -129.860
bonds (distance) P-C4' energy: -137.281
flat angles C4'-P-C4' energy: -153.571
flat angles P-C4'-P energy: -104.371
tors. eta vs tors. theta energy: -203.403
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: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2262.167361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.167361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.167361 (E_RNA)
where:
Base-Base interactions energy: -1581.800
where: short stacking energy: -641.681
Base-Backbone interact. energy: -2.308
local terms energy: -678.059997
where:
bonds (distance) C4'-P energy: -120.576
bonds (distance) P-C4' energy: -139.076
flat angles C4'-P-C4' energy: -144.916
flat angles P-C4'-P energy: -103.048
tors. eta vs tors. theta energy: -170.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2118.688265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.688265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.688265 (E_RNA)
where:
Base-Base interactions energy: -1460.300
where: short stacking energy: -630.604
Base-Backbone interact. energy: -2.954
local terms energy: -655.434853
where:
bonds (distance) C4'-P energy: -128.029
bonds (distance) P-C4' energy: -114.299
flat angles C4'-P-C4' energy: -139.684
flat angles P-C4'-P energy: -95.162
tors. eta vs tors. theta energy: -178.261
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: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1970.803432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.803432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.803432 (E_RNA)
where:
Base-Base interactions energy: -1335.242
where: short stacking energy: -591.867
Base-Backbone interact. energy: -0.162
local terms energy: -635.399485
where:
bonds (distance) C4'-P energy: -114.280
bonds (distance) P-C4' energy: -120.300
flat angles C4'-P-C4' energy: -142.250
flat angles P-C4'-P energy: -92.048
tors. eta vs tors. theta energy: -166.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1907.808899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.808899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.808899 (E_RNA)
where:
Base-Base interactions energy: -1293.763
where: short stacking energy: -543.624
Base-Backbone interact. energy: -4.337
local terms energy: -609.709026
where:
bonds (distance) C4'-P energy: -124.502
bonds (distance) P-C4' energy: -124.837
flat angles C4'-P-C4' energy: -121.045
flat angles P-C4'-P energy: -88.164
tors. eta vs tors. theta energy: -151.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1762.577896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.577896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.577896 (E_RNA)
where:
Base-Base interactions energy: -1182.895
where: short stacking energy: -502.057
Base-Backbone interact. energy: -4.507
local terms energy: -575.175785
where:
bonds (distance) C4'-P energy: -109.112
bonds (distance) P-C4' energy: -118.132
flat angles C4'-P-C4' energy: -142.323
flat angles P-C4'-P energy: -87.190
tors. eta vs tors. theta energy: -118.419
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: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1321.005544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.005544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.005544 (E_RNA)
where:
Base-Base interactions energy: -814.560
where: short stacking energy: -389.030
Base-Backbone interact. energy: -2.013
local terms energy: -504.432989
where:
bonds (distance) C4'-P energy: -115.587
bonds (distance) P-C4' energy: -105.418
flat angles C4'-P-C4' energy: -113.108
flat angles P-C4'-P energy: -87.485
tors. eta vs tors. theta energy: -82.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1344.721959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.721959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.721959 (E_RNA)
where:
Base-Base interactions energy: -879.455
where: short stacking energy: -407.341
Base-Backbone interact. energy: 2.845
local terms energy: -468.111557
where:
bonds (distance) C4'-P energy: -94.496
bonds (distance) P-C4' energy: -101.787
flat angles C4'-P-C4' energy: -115.189
flat angles P-C4'-P energy: -62.768
tors. eta vs tors. theta energy: -93.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -832.427087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.427087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.427087 (E_RNA)
where:
Base-Base interactions energy: -454.060
where: short stacking energy: -246.139
Base-Backbone interact. energy: 6.474
local terms energy: -384.840472
where:
bonds (distance) C4'-P energy: -99.437
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -60.584
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -611.882038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.882038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.882038 (E_RNA)
where:
Base-Base interactions energy: -280.477
where: short stacking energy: -162.997
Base-Backbone interact. energy: -0.386
local terms energy: -331.019010
where:
bonds (distance) C4'-P energy: -93.990
bonds (distance) P-C4' energy: -110.038
flat angles C4'-P-C4' energy: -90.494
flat angles P-C4'-P energy: -48.364
tors. eta vs tors. theta energy: 11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2344.890131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.890131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.890131 (E_RNA)
where:
Base-Base interactions energy: -1634.034
where: short stacking energy: -713.671
Base-Backbone interact. energy: -2.906
local terms energy: -707.950094
where:
bonds (distance) C4'-P energy: -130.384
bonds (distance) P-C4' energy: -138.615
flat angles C4'-P-C4' energy: -133.723
flat angles P-C4'-P energy: -96.806
tors. eta vs tors. theta energy: -208.423
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2207.081358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.081358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.081358 (E_RNA)
where:
Base-Base interactions energy: -1539.171
where: short stacking energy: -627.769
Base-Backbone interact. energy: -5.330
local terms energy: -662.580819
where:
bonds (distance) C4'-P energy: -124.464
bonds (distance) P-C4' energy: -124.948
flat angles C4'-P-C4' energy: -141.975
flat angles P-C4'-P energy: -101.315
tors. eta vs tors. theta energy: -169.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2135.796410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.796410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.796410 (E_RNA)
where:
Base-Base interactions energy: -1484.938
where: short stacking energy: -622.323
Base-Backbone interact. energy: -0.084
local terms energy: -650.774639
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -122.037
flat angles C4'-P-C4' energy: -147.818
flat angles P-C4'-P energy: -84.453
tors. eta vs tors. theta energy: -180.475
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: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1970.472055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.472055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.472055 (E_RNA)
where:
Base-Base interactions energy: -1321.272
where: short stacking energy: -559.771
Base-Backbone interact. energy: -4.223
local terms energy: -644.977163
where:
bonds (distance) C4'-P energy: -121.148
bonds (distance) P-C4' energy: -138.460
flat angles C4'-P-C4' energy: -137.504
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -158.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1908.608503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.608503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.608503 (E_RNA)
where:
Base-Base interactions energy: -1339.430
where: short stacking energy: -553.255
Base-Backbone interact. energy: -0.491
local terms energy: -568.687330
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -105.365
flat angles C4'-P-C4' energy: -134.536
flat angles P-C4'-P energy: -74.781
tors. eta vs tors. theta energy: -137.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1755.273626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.273626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.273626 (E_RNA)
where:
Base-Base interactions energy: -1169.665
where: short stacking energy: -499.423
Base-Backbone interact. energy: -1.409
local terms energy: -584.199543
where:
bonds (distance) C4'-P energy: -107.219
bonds (distance) P-C4' energy: -118.133
flat angles C4'-P-C4' energy: -136.146
flat angles P-C4'-P energy: -86.177
tors. eta vs tors. theta energy: -136.524
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: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1352.442215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.442215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.442215 (E_RNA)
where:
Base-Base interactions energy: -838.376
where: short stacking energy: -410.089
Base-Backbone interact. energy: -0.552
local terms energy: -513.514194
where:
bonds (distance) C4'-P energy: -111.119
bonds (distance) P-C4' energy: -115.235
flat angles C4'-P-C4' energy: -107.988
flat angles P-C4'-P energy: -84.375
tors. eta vs tors. theta energy: -94.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1301.210981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.210981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.210981 (E_RNA)
where:
Base-Base interactions energy: -832.269
where: short stacking energy: -382.366
Base-Backbone interact. energy: 0.804
local terms energy: -469.745777
where:
bonds (distance) C4'-P energy: -108.522
bonds (distance) P-C4' energy: -120.859
flat angles C4'-P-C4' energy: -108.695
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -86.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -800.248916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.248916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.248916 (E_RNA)
where:
Base-Base interactions energy: -405.493
where: short stacking energy: -247.904
Base-Backbone interact. energy: -2.067
local terms energy: -392.689324
where:
bonds (distance) C4'-P energy: -98.682
bonds (distance) P-C4' energy: -107.478
flat angles C4'-P-C4' energy: -115.754
flat angles P-C4'-P energy: -49.508
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -654.504517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.504517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.504517 (E_RNA)
where:
Base-Base interactions energy: -298.103
where: short stacking energy: -179.095
Base-Backbone interact. energy: -5.590
local terms energy: -350.812079
where:
bonds (distance) C4'-P energy: -118.297
bonds (distance) P-C4' energy: -120.378
flat angles C4'-P-C4' energy: -90.758
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: 4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2365.290833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.290833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.290833 (E_RNA)
where:
Base-Base interactions energy: -1634.004
where: short stacking energy: -728.689
Base-Backbone interact. energy: -2.001
local terms energy: -729.285908
where:
bonds (distance) C4'-P energy: -126.850
bonds (distance) P-C4' energy: -143.013
flat angles C4'-P-C4' energy: -152.042
flat angles P-C4'-P energy: -103.572
tors. eta vs tors. theta energy: -203.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2228.527486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.527486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.527486 (E_RNA)
where:
Base-Base interactions energy: -1553.597
where: short stacking energy: -624.316
Base-Backbone interact. energy: -0.766
local terms energy: -674.164109
where:
bonds (distance) C4'-P energy: -125.029
bonds (distance) P-C4' energy: -132.710
flat angles C4'-P-C4' energy: -141.836
flat angles P-C4'-P energy: -103.028
tors. eta vs tors. theta energy: -171.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2109.841437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.841437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.841437 (E_RNA)
where:
Base-Base interactions energy: -1437.194
where: short stacking energy: -586.910
Base-Backbone interact. energy: -5.491
local terms energy: -667.156317
where:
bonds (distance) C4'-P energy: -135.092
bonds (distance) P-C4' energy: -135.170
flat angles C4'-P-C4' energy: -139.533
flat angles P-C4'-P energy: -79.539
tors. eta vs tors. theta energy: -177.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2005.458120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.458120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.458120 (E_RNA)
where:
Base-Base interactions energy: -1380.859
where: short stacking energy: -605.370
Base-Backbone interact. energy: -3.132
local terms energy: -621.467328
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -123.015
flat angles C4'-P-C4' energy: -136.394
flat angles P-C4'-P energy: -90.389
tors. eta vs tors. theta energy: -169.763
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: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1927.265703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.265703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.265703 (E_RNA)
where:
Base-Base interactions energy: -1324.864
where: short stacking energy: -561.321
Base-Backbone interact. energy: -3.633
local terms energy: -598.768659
where:
bonds (distance) C4'-P energy: -99.936
bonds (distance) P-C4' energy: -127.496
flat angles C4'-P-C4' energy: -139.935
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -152.086
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: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1795.682172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.682172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.682172 (E_RNA)
where:
Base-Base interactions energy: -1217.372
where: short stacking energy: -531.114
Base-Backbone interact. energy: -0.945
local terms energy: -577.365009
where:
bonds (distance) C4'-P energy: -112.172
bonds (distance) P-C4' energy: -124.821
flat angles C4'-P-C4' energy: -129.842
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -131.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1345.768546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.768546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.768546 (E_RNA)
where:
Base-Base interactions energy: -845.670
where: short stacking energy: -422.091
Base-Backbone interact. energy: -2.946
local terms energy: -497.153240
where:
bonds (distance) C4'-P energy: -115.988
bonds (distance) P-C4' energy: -88.916
flat angles C4'-P-C4' energy: -125.948
flat angles P-C4'-P energy: -68.240
tors. eta vs tors. theta energy: -98.061
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: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1386.298015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.298015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.298015 (E_RNA)
where:
Base-Base interactions energy: -863.833
where: short stacking energy: -412.024
Base-Backbone interact. energy: 6.951
local terms energy: -529.415630
where:
bonds (distance) C4'-P energy: -122.402
bonds (distance) P-C4' energy: -113.167
flat angles C4'-P-C4' energy: -110.034
flat angles P-C4'-P energy: -78.810
tors. eta vs tors. theta energy: -105.003
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: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -854.835410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.835410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.835410 (E_RNA)
where:
Base-Base interactions energy: -428.082
where: short stacking energy: -225.391
Base-Backbone interact. energy: -2.471
local terms energy: -424.282503
where:
bonds (distance) C4'-P energy: -110.121
bonds (distance) P-C4' energy: -131.307
flat angles C4'-P-C4' energy: -101.566
flat angles P-C4'-P energy: -63.666
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -691.687152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.687152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.687152 (E_RNA)
where:
Base-Base interactions energy: -365.609
where: short stacking energy: -218.512
Base-Backbone interact. energy: 1.959
local terms energy: -328.036763
where:
bonds (distance) C4'-P energy: -90.598
bonds (distance) P-C4' energy: -98.845
flat angles C4'-P-C4' energy: -94.751
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2329.672624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.672624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.672624 (E_RNA)
where:
Base-Base interactions energy: -1607.329
where: short stacking energy: -680.983
Base-Backbone interact. energy: -2.704
local terms energy: -719.639371
where:
bonds (distance) C4'-P energy: -133.618
bonds (distance) P-C4' energy: -139.256
flat angles C4'-P-C4' energy: -146.996
flat angles P-C4'-P energy: -101.796
tors. eta vs tors. theta energy: -197.973
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: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2227.569305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.569305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.569305 (E_RNA)
where:
Base-Base interactions energy: -1544.231
where: short stacking energy: -642.308
Base-Backbone interact. energy: 1.441
local terms energy: -684.778871
where:
bonds (distance) C4'-P energy: -139.250
bonds (distance) P-C4' energy: -129.007
flat angles C4'-P-C4' energy: -147.716
flat angles P-C4'-P energy: -100.032
tors. eta vs tors. theta energy: -168.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2118.754113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.754113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.754113 (E_RNA)
where:
Base-Base interactions energy: -1459.588
where: short stacking energy: -607.394
Base-Backbone interact. energy: -5.568
local terms energy: -653.598008
where:
bonds (distance) C4'-P energy: -133.302
bonds (distance) P-C4' energy: -130.475
flat angles C4'-P-C4' energy: -130.077
flat angles P-C4'-P energy: -83.125
tors. eta vs tors. theta energy: -176.620
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: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1983.815214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.815214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.815214 (E_RNA)
where:
Base-Base interactions energy: -1330.628
where: short stacking energy: -570.927
Base-Backbone interact. energy: -1.216
local terms energy: -651.970662
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -131.540
flat angles C4'-P-C4' energy: -129.951
flat angles P-C4'-P energy: -93.319
tors. eta vs tors. theta energy: -183.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1953.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.319642 (E_RNA)
where:
Base-Base interactions energy: -1326.357
where: short stacking energy: -565.419
Base-Backbone interact. energy: -4.576
local terms energy: -622.387094
where:
bonds (distance) C4'-P energy: -131.700
bonds (distance) P-C4' energy: -107.516
flat angles C4'-P-C4' energy: -144.815
flat angles P-C4'-P energy: -84.877
tors. eta vs tors. theta energy: -153.479
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: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1763.000407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.000407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.000407 (E_RNA)
where:
Base-Base interactions energy: -1193.435
where: short stacking energy: -514.213
Base-Backbone interact. energy: -1.258
local terms energy: -568.307081
where:
bonds (distance) C4'-P energy: -125.169
bonds (distance) P-C4' energy: -106.216
flat angles C4'-P-C4' energy: -130.814
flat angles P-C4'-P energy: -76.798
tors. eta vs tors. theta energy: -129.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1305.844095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.844095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.844095 (E_RNA)
where:
Base-Base interactions energy: -806.845
where: short stacking energy: -411.229
Base-Backbone interact. energy: 1.731
local terms energy: -500.730157
where:
bonds (distance) C4'-P energy: -107.733
bonds (distance) P-C4' energy: -112.861
flat angles C4'-P-C4' energy: -115.460
flat angles P-C4'-P energy: -74.225
tors. eta vs tors. theta energy: -90.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1345.080071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.080071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.080071 (E_RNA)
where:
Base-Base interactions energy: -883.793
where: short stacking energy: -400.378
Base-Backbone interact. energy: -0.805
local terms energy: -460.482629
where:
bonds (distance) C4'-P energy: -95.013
bonds (distance) P-C4' energy: -111.002
flat angles C4'-P-C4' energy: -93.987
flat angles P-C4'-P energy: -60.275
tors. eta vs tors. theta energy: -100.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -887.857543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.857543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.857543 (E_RNA)
where:
Base-Base interactions energy: -486.379
where: short stacking energy: -267.899
Base-Backbone interact. energy: 5.486
local terms energy: -406.963861
where:
bonds (distance) C4'-P energy: -104.894
bonds (distance) P-C4' energy: -113.043
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -50.676
tors. eta vs tors. theta energy: -34.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -692.105454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.105454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.105454 (E_RNA)
where:
Base-Base interactions energy: -337.009
where: short stacking energy: -184.189
Base-Backbone interact. energy: 3.991
local terms energy: -359.087211
where:
bonds (distance) C4'-P energy: -103.995
bonds (distance) P-C4' energy: -108.503
flat angles C4'-P-C4' energy: -103.662
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: 7.608
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: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2349.807264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.807264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.807264 (E_RNA)
where:
Base-Base interactions energy: -1629.414
where: short stacking energy: -699.508
Base-Backbone interact. energy: -5.311
local terms energy: -715.081824
where:
bonds (distance) C4'-P energy: -135.538
bonds (distance) P-C4' energy: -129.633
flat angles C4'-P-C4' energy: -148.847
flat angles P-C4'-P energy: -102.567
tors. eta vs tors. theta energy: -198.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2226.903062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.903062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.903062 (E_RNA)
where:
Base-Base interactions energy: -1563.635
where: short stacking energy: -619.703
Base-Backbone interact. energy: -5.922
local terms energy: -657.346169
where:
bonds (distance) C4'-P energy: -117.016
bonds (distance) P-C4' energy: -136.531
flat angles C4'-P-C4' energy: -143.235
flat angles P-C4'-P energy: -90.613
tors. eta vs tors. theta energy: -169.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2125.450048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.450048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.450048 (E_RNA)
where:
Base-Base interactions energy: -1471.382
where: short stacking energy: -637.868
Base-Backbone interact. energy: -3.677
local terms energy: -650.391704
where:
bonds (distance) C4'-P energy: -114.502
bonds (distance) P-C4' energy: -123.941
flat angles C4'-P-C4' energy: -144.776
flat angles P-C4'-P energy: -89.558
tors. eta vs tors. theta energy: -177.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2016.100064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.100064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.100064 (E_RNA)
where:
Base-Base interactions energy: -1353.525
where: short stacking energy: -601.966
Base-Backbone interact. energy: -2.881
local terms energy: -659.694445
where:
bonds (distance) C4'-P energy: -121.733
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -144.639
flat angles P-C4'-P energy: -89.334
tors. eta vs tors. theta energy: -169.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1946.332311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.332311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.332311 (E_RNA)
where:
Base-Base interactions energy: -1342.668
where: short stacking energy: -565.509
Base-Backbone interact. energy: -1.323
local terms energy: -602.341369
where:
bonds (distance) C4'-P energy: -112.220
bonds (distance) P-C4' energy: -119.823
flat angles C4'-P-C4' energy: -136.693
flat angles P-C4'-P energy: -70.225
tors. eta vs tors. theta energy: -163.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1767.633005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.633005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.633005 (E_RNA)
where:
Base-Base interactions energy: -1214.575
where: short stacking energy: -507.445
Base-Backbone interact. energy: -3.015
local terms energy: -550.043178
where:
bonds (distance) C4'-P energy: -113.358
bonds (distance) P-C4' energy: -105.633
flat angles C4'-P-C4' energy: -110.239
flat angles P-C4'-P energy: -82.277
tors. eta vs tors. theta energy: -138.536
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: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1423.437653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.437653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.437653 (E_RNA)
where:
Base-Base interactions energy: -949.459
where: short stacking energy: -432.037
Base-Backbone interact. energy: -0.110
local terms energy: -473.868761
where:
bonds (distance) C4'-P energy: -105.293
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -112.470
flat angles P-C4'-P energy: -62.075
tors. eta vs tors. theta energy: -84.061
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: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1279.148337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.148337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.148337 (E_RNA)
where:
Base-Base interactions energy: -813.997
where: short stacking energy: -381.372
Base-Backbone interact. energy: 0.749
local terms energy: -465.900272
where:
bonds (distance) C4'-P energy: -109.514
bonds (distance) P-C4' energy: -99.212
flat angles C4'-P-C4' energy: -118.791
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -71.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -849.585103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.585103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.585103 (E_RNA)
where:
Base-Base interactions energy: -437.815
where: short stacking energy: -232.372
Base-Backbone interact. energy: -0.838
local terms energy: -410.932081
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -117.148
flat angles C4'-P-C4' energy: -100.048
flat angles P-C4'-P energy: -56.380
tors. eta vs tors. theta energy: -22.286
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: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -684.531790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.531790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.531790 (E_RNA)
where:
Base-Base interactions energy: -328.146
where: short stacking energy: -182.702
Base-Backbone interact. energy: 4.016
local terms energy: -360.401469
where:
bonds (distance) C4'-P energy: -92.935
bonds (distance) P-C4' energy: -123.006
flat angles C4'-P-C4' energy: -76.874
flat angles P-C4'-P energy: -69.271
tors. eta vs tors. theta energy: 1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2358.046649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.046649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.046649 (E_RNA)
where:
Base-Base interactions energy: -1651.282
where: short stacking energy: -682.978
Base-Backbone interact. energy: -4.795
local terms energy: -701.969678
where:
bonds (distance) C4'-P energy: -132.969
bonds (distance) P-C4' energy: -138.090
flat angles C4'-P-C4' energy: -141.249
flat angles P-C4'-P energy: -99.365
tors. eta vs tors. theta energy: -190.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2250.907157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.907157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.907157 (E_RNA)
where:
Base-Base interactions energy: -1580.174
where: short stacking energy: -623.399
Base-Backbone interact. energy: -4.797
local terms energy: -665.936656
where:
bonds (distance) C4'-P energy: -127.482
bonds (distance) P-C4' energy: -146.564
flat angles C4'-P-C4' energy: -134.450
flat angles P-C4'-P energy: -87.759
tors. eta vs tors. theta energy: -169.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2106.520034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.520034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.520034 (E_RNA)
where:
Base-Base interactions energy: -1455.489
where: short stacking energy: -626.278
Base-Backbone interact. energy: -1.085
local terms energy: -649.946128
where:
bonds (distance) C4'-P energy: -123.185
bonds (distance) P-C4' energy: -120.325
flat angles C4'-P-C4' energy: -141.828
flat angles P-C4'-P energy: -94.304
tors. eta vs tors. theta energy: -170.304
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2041.306762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.306762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.306762 (E_RNA)
where:
Base-Base interactions energy: -1402.522
where: short stacking energy: -615.100
Base-Backbone interact. energy: -3.587
local terms energy: -635.198424
where:
bonds (distance) C4'-P energy: -112.835
bonds (distance) P-C4' energy: -116.654
flat angles C4'-P-C4' energy: -141.182
flat angles P-C4'-P energy: -90.584
tors. eta vs tors. theta energy: -173.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1974.153155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.153155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.153155 (E_RNA)
where:
Base-Base interactions energy: -1354.563
where: short stacking energy: -582.453
Base-Backbone interact. energy: -2.204
local terms energy: -617.386285
where:
bonds (distance) C4'-P energy: -120.042
bonds (distance) P-C4' energy: -124.356
flat angles C4'-P-C4' energy: -123.703
flat angles P-C4'-P energy: -86.183
tors. eta vs tors. theta energy: -163.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1792.994099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.994099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.994099 (E_RNA)
where:
Base-Base interactions energy: -1217.682
where: short stacking energy: -511.778
Base-Backbone interact. energy: -3.891
local terms energy: -571.420768
where:
bonds (distance) C4'-P energy: -104.842
bonds (distance) P-C4' energy: -103.236
flat angles C4'-P-C4' energy: -142.723
flat angles P-C4'-P energy: -82.736
tors. eta vs tors. theta energy: -137.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1388.491128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.491128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.491128 (E_RNA)
where:
Base-Base interactions energy: -932.309
where: short stacking energy: -407.742
Base-Backbone interact. energy: -1.832
local terms energy: -454.350418
where:
bonds (distance) C4'-P energy: -91.750
bonds (distance) P-C4' energy: -88.826
flat angles C4'-P-C4' energy: -111.624
flat angles P-C4'-P energy: -68.982
tors. eta vs tors. theta energy: -93.169
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: 253
Temperature: 1.250000
Total energy: -1176.399520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.399520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.399520 (E_RNA)
where:
Base-Base interactions energy: -715.520
where: short stacking energy: -347.817
Base-Backbone interact. energy: -2.688
local terms energy: -458.191906
where:
bonds (distance) C4'-P energy: -112.586
bonds (distance) P-C4' energy: -99.860
flat angles C4'-P-C4' energy: -121.086
flat angles P-C4'-P energy: -59.064
tors. eta vs tors. theta energy: -65.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -859.327774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.327774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.327774 (E_RNA)
where:
Base-Base interactions energy: -462.602
where: short stacking energy: -245.858
Base-Backbone interact. energy: -0.900
local terms energy: -395.825935
where:
bonds (distance) C4'-P energy: -118.656
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -88.765
flat angles P-C4'-P energy: -62.868
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -719.055805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.055805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.055805 (E_RNA)
where:
Base-Base interactions energy: -367.404
where: short stacking energy: -207.634
Base-Backbone interact. energy: 2.396
local terms energy: -354.047249
where:
bonds (distance) C4'-P energy: -106.552
bonds (distance) P-C4' energy: -98.817
flat angles C4'-P-C4' energy: -91.642
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -13.312
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: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2356.616495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.616495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.616495 (E_RNA)
where:
Base-Base interactions energy: -1661.152
where: short stacking energy: -714.998
Base-Backbone interact. energy: -2.568
local terms energy: -692.896919
where:
bonds (distance) C4'-P energy: -124.764
bonds (distance) P-C4' energy: -127.162
flat angles C4'-P-C4' energy: -143.507
flat angles P-C4'-P energy: -90.069
tors. eta vs tors. theta energy: -207.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2247.758052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.758052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.758052 (E_RNA)
where:
Base-Base interactions energy: -1566.923
where: short stacking energy: -619.878
Base-Backbone interact. energy: -1.868
local terms energy: -678.966743
where:
bonds (distance) C4'-P energy: -124.627
bonds (distance) P-C4' energy: -133.190
flat angles C4'-P-C4' energy: -155.593
flat angles P-C4'-P energy: -97.068
tors. eta vs tors. theta energy: -168.489
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: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2086.691362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.691362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.691362 (E_RNA)
where:
Base-Base interactions energy: -1435.095
where: short stacking energy: -614.223
Base-Backbone interact. energy: -1.009
local terms energy: -650.587410
where:
bonds (distance) C4'-P energy: -125.358
bonds (distance) P-C4' energy: -120.320
flat angles C4'-P-C4' energy: -142.256
flat angles P-C4'-P energy: -99.713
tors. eta vs tors. theta energy: -162.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2038.802958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.802958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.802958 (E_RNA)
where:
Base-Base interactions energy: -1386.597
where: short stacking energy: -607.544
Base-Backbone interact. energy: -5.467
local terms energy: -646.739049
where:
bonds (distance) C4'-P energy: -121.115
bonds (distance) P-C4' energy: -134.402
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -76.968
tors. eta vs tors. theta energy: -176.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1953.666544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.666544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.666544 (E_RNA)
where:
Base-Base interactions energy: -1342.677
where: short stacking energy: -566.746
Base-Backbone interact. energy: -3.886
local terms energy: -607.104104
where:
bonds (distance) C4'-P energy: -120.572
bonds (distance) P-C4' energy: -114.466
flat angles C4'-P-C4' energy: -140.062
flat angles P-C4'-P energy: -73.142
tors. eta vs tors. theta energy: -158.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1695.985308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.985308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.985308 (E_RNA)
where:
Base-Base interactions energy: -1137.553
where: short stacking energy: -471.842
Base-Backbone interact. energy: -0.361
local terms energy: -558.071379
where:
bonds (distance) C4'-P energy: -114.784
bonds (distance) P-C4' energy: -117.317
flat angles C4'-P-C4' energy: -130.722
flat angles P-C4'-P energy: -79.618
tors. eta vs tors. theta energy: -115.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1514.062807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.062807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.062807 (E_RNA)
where:
Base-Base interactions energy: -1017.271
where: short stacking energy: -409.597
Base-Backbone interact. energy: 0.977
local terms energy: -497.768284
where:
bonds (distance) C4'-P energy: -111.001
bonds (distance) P-C4' energy: -119.488
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -87.692
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: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1067.546022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.546022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.546022 (E_RNA)
where:
Base-Base interactions energy: -643.929
where: short stacking energy: -293.335
Base-Backbone interact. energy: 9.701
local terms energy: -433.318023
where:
bonds (distance) C4'-P energy: -101.537
bonds (distance) P-C4' energy: -124.687
flat angles C4'-P-C4' energy: -102.118
flat angles P-C4'-P energy: -60.660
tors. eta vs tors. theta energy: -44.316
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: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -774.060187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.060187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.060187 (E_RNA)
where:
Base-Base interactions energy: -408.033
where: short stacking energy: -243.524
Base-Backbone interact. energy: -2.528
local terms energy: -363.498494
where:
bonds (distance) C4'-P energy: -100.930
bonds (distance) P-C4' energy: -106.495
flat angles C4'-P-C4' energy: -89.701
flat angles P-C4'-P energy: -54.323
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -798.058912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.058912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.058912 (E_RNA)
where:
Base-Base interactions energy: -452.384
where: short stacking energy: -215.997
Base-Backbone interact. energy: -1.301
local terms energy: -344.373735
where:
bonds (distance) C4'-P energy: -92.153
bonds (distance) P-C4' energy: -125.658
flat angles C4'-P-C4' energy: -86.144
flat angles P-C4'-P energy: -48.156
tors. eta vs tors. theta energy: 7.737
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: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2353.118578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.118578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.118578 (E_RNA)
where:
Base-Base interactions energy: -1636.235
where: short stacking energy: -710.356
Base-Backbone interact. energy: 1.601
local terms energy: -718.484955
where:
bonds (distance) C4'-P energy: -125.823
bonds (distance) P-C4' energy: -141.542
flat angles C4'-P-C4' energy: -152.822
flat angles P-C4'-P energy: -93.890
tors. eta vs tors. theta energy: -204.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2268.997761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.997761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.997761 (E_RNA)
where:
Base-Base interactions energy: -1601.638
where: short stacking energy: -621.735
Base-Backbone interact. energy: -3.503
local terms energy: -663.857165
where:
bonds (distance) C4'-P energy: -120.866
bonds (distance) P-C4' energy: -135.381
flat angles C4'-P-C4' energy: -146.017
flat angles P-C4'-P energy: -88.958
tors. eta vs tors. theta energy: -172.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2124.877964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.877964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.877964 (E_RNA)
where:
Base-Base interactions energy: -1443.964
where: short stacking energy: -631.631
Base-Backbone interact. energy: -0.602
local terms energy: -680.311810
where:
bonds (distance) C4'-P energy: -125.810
bonds (distance) P-C4' energy: -133.447
flat angles C4'-P-C4' energy: -154.634
flat angles P-C4'-P energy: -93.310
tors. eta vs tors. theta energy: -173.110
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: 255
Temperature: 1.050000
Total energy: -2035.377745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.377745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.377745 (E_RNA)
where:
Base-Base interactions energy: -1371.508
where: short stacking energy: -581.870
Base-Backbone interact. energy: -0.155
local terms energy: -663.715396
where:
bonds (distance) C4'-P energy: -133.105
bonds (distance) P-C4' energy: -125.380
flat angles C4'-P-C4' energy: -134.709
flat angles P-C4'-P energy: -91.204
tors. eta vs tors. theta energy: -179.318
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: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1935.073997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.073997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.073997 (E_RNA)
where:
Base-Base interactions energy: -1341.572
where: short stacking energy: -555.245
Base-Backbone interact. energy: 5.360
local terms energy: -598.861727
where:
bonds (distance) C4'-P energy: -111.900
bonds (distance) P-C4' energy: -122.667
flat angles C4'-P-C4' energy: -133.040
flat angles P-C4'-P energy: -91.575
tors. eta vs tors. theta energy: -139.680
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: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1796.136398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.136398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.136398 (E_RNA)
where:
Base-Base interactions energy: -1239.246
where: short stacking energy: -504.970
Base-Backbone interact. energy: -0.590
local terms energy: -556.301362
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -125.568
flat angles P-C4'-P energy: -80.485
tors. eta vs tors. theta energy: -131.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1484.686536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.686536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.686536 (E_RNA)
where:
Base-Base interactions energy: -971.914
where: short stacking energy: -429.919
Base-Backbone interact. energy: 2.056
local terms energy: -514.829176
where:
bonds (distance) C4'-P energy: -108.084
bonds (distance) P-C4' energy: -127.006
flat angles C4'-P-C4' energy: -109.848
flat angles P-C4'-P energy: -69.895
tors. eta vs tors. theta energy: -99.996
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: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1159.266657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.266657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.266657 (E_RNA)
where:
Base-Base interactions energy: -708.040
where: short stacking energy: -342.274
Base-Backbone interact. energy: 0.190
local terms energy: -451.416872
where:
bonds (distance) C4'-P energy: -106.252
bonds (distance) P-C4' energy: -114.401
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -57.035
tors. eta vs tors. theta energy: -67.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -848.842306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.842306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.842306 (E_RNA)
where:
Base-Base interactions energy: -438.231
where: short stacking energy: -261.152
Base-Backbone interact. energy: -0.323
local terms energy: -410.287494
where:
bonds (distance) C4'-P energy: -119.773
bonds (distance) P-C4' energy: -109.615
flat angles C4'-P-C4' energy: -99.562
flat angles P-C4'-P energy: -57.254
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -746.767977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.767977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.767977 (E_RNA)
where:
Base-Base interactions energy: -365.437
where: short stacking energy: -193.621
Base-Backbone interact. energy: 0.187
local terms energy: -381.518032
where:
bonds (distance) C4'-P energy: -82.895
bonds (distance) P-C4' energy: -118.814
flat angles C4'-P-C4' energy: -90.102
flat angles P-C4'-P energy: -85.418
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2382.020188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.020188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.020188 (E_RNA)
where:
Base-Base interactions energy: -1659.257
where: short stacking energy: -723.826
Base-Backbone interact. energy: -1.913
local terms energy: -720.849537
where:
bonds (distance) C4'-P energy: -129.582
bonds (distance) P-C4' energy: -135.551
flat angles C4'-P-C4' energy: -157.771
flat angles P-C4'-P energy: -90.386
tors. eta vs tors. theta energy: -207.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2252.701533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.701533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.701533 (E_RNA)
where:
Base-Base interactions energy: -1574.121
where: short stacking energy: -621.172
Base-Backbone interact. energy: -3.288
local terms energy: -675.293018
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -135.191
flat angles C4'-P-C4' energy: -145.245
flat angles P-C4'-P energy: -99.147
tors. eta vs tors. theta energy: -173.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2064.918127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.918127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.918127 (E_RNA)
where:
Base-Base interactions energy: -1397.611
where: short stacking energy: -617.854
Base-Backbone interact. energy: -2.425
local terms energy: -664.881380
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -138.137
flat angles C4'-P-C4' energy: -145.247
flat angles P-C4'-P energy: -100.887
tors. eta vs tors. theta energy: -177.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2043.703489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.703489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.703489 (E_RNA)
where:
Base-Base interactions energy: -1414.630
where: short stacking energy: -568.209
Base-Backbone interact. energy: -3.464
local terms energy: -625.609496
where:
bonds (distance) C4'-P energy: -118.485
bonds (distance) P-C4' energy: -133.269
flat angles C4'-P-C4' energy: -129.548
flat angles P-C4'-P energy: -93.267
tors. eta vs tors. theta energy: -151.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1956.723948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.723948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.723948 (E_RNA)
where:
Base-Base interactions energy: -1343.086
where: short stacking energy: -542.573
Base-Backbone interact. energy: -3.657
local terms energy: -609.981379
where:
bonds (distance) C4'-P energy: -120.619
bonds (distance) P-C4' energy: -120.813
flat angles C4'-P-C4' energy: -128.633
flat angles P-C4'-P energy: -83.930
tors. eta vs tors. theta energy: -155.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1829.231570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.231570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.231570 (E_RNA)
where:
Base-Base interactions energy: -1243.953
where: short stacking energy: -500.745
Base-Backbone interact. energy: -2.277
local terms energy: -583.000935
where:
bonds (distance) C4'-P energy: -115.525
bonds (distance) P-C4' energy: -117.096
flat angles C4'-P-C4' energy: -140.226
flat angles P-C4'-P energy: -77.274
tors. eta vs tors. theta energy: -132.880
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: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1465.113383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.113383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.113383 (E_RNA)
where:
Base-Base interactions energy: -964.750
where: short stacking energy: -412.477
Base-Backbone interact. energy: -1.925
local terms energy: -498.438020
where:
bonds (distance) C4'-P energy: -110.069
bonds (distance) P-C4' energy: -114.132
flat angles C4'-P-C4' energy: -112.476
flat angles P-C4'-P energy: -71.829
tors. eta vs tors. theta energy: -89.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1108.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.775953 (E_RNA)
where:
Base-Base interactions energy: -670.031
where: short stacking energy: -316.541
Base-Backbone interact. energy: -0.037
local terms energy: -438.708128
where:
bonds (distance) C4'-P energy: -117.662
bonds (distance) P-C4' energy: -129.727
flat angles C4'-P-C4' energy: -93.976
flat angles P-C4'-P energy: -61.573
tors. eta vs tors. theta energy: -35.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -871.059028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.059028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.059028 (E_RNA)
where:
Base-Base interactions energy: -486.580
where: short stacking energy: -264.334
Base-Backbone interact. energy: -4.039
local terms energy: -380.440325
where:
bonds (distance) C4'-P energy: -115.009
bonds (distance) P-C4' energy: -112.453
flat angles C4'-P-C4' energy: -86.233
flat angles P-C4'-P energy: -45.387
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -709.313253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.313253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.313253 (E_RNA)
where:
Base-Base interactions energy: -353.861
where: short stacking energy: -180.703
Base-Backbone interact. energy: -1.458
local terms energy: -353.994252
where:
bonds (distance) C4'-P energy: -102.900
bonds (distance) P-C4' energy: -105.179
flat angles C4'-P-C4' energy: -101.441
flat angles P-C4'-P energy: -52.236
tors. eta vs tors. theta energy: 7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2324.801145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.801145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.801145 (E_RNA)
where:
Base-Base interactions energy: -1603.405
where: short stacking energy: -702.734
Base-Backbone interact. energy: -2.447
local terms energy: -718.949142
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -136.619
flat angles C4'-P-C4' energy: -156.734
flat angles P-C4'-P energy: -102.464
tors. eta vs tors. theta energy: -196.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2272.872096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.872096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.872096 (E_RNA)
where:
Base-Base interactions energy: -1584.475
where: short stacking energy: -605.266
Base-Backbone interact. energy: -4.708
local terms energy: -683.689638
where:
bonds (distance) C4'-P energy: -122.034
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -155.626
flat angles P-C4'-P energy: -95.869
tors. eta vs tors. theta energy: -173.822
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: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2119.332519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.332519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.332519 (E_RNA)
where:
Base-Base interactions energy: -1433.228
where: short stacking energy: -619.134
Base-Backbone interact. energy: -3.729
local terms energy: -682.375144
where:
bonds (distance) C4'-P energy: -133.384
bonds (distance) P-C4' energy: -128.496
flat angles C4'-P-C4' energy: -141.977
flat angles P-C4'-P energy: -88.459
tors. eta vs tors. theta energy: -190.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2057.957965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.957965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.957965 (E_RNA)
where:
Base-Base interactions energy: -1417.507
where: short stacking energy: -601.784
Base-Backbone interact. energy: 1.847
local terms energy: -642.298223
where:
bonds (distance) C4'-P energy: -125.989
bonds (distance) P-C4' energy: -134.922
flat angles C4'-P-C4' energy: -130.131
flat angles P-C4'-P energy: -87.575
tors. eta vs tors. theta energy: -163.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1992.923174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.923174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.923174 (E_RNA)
where:
Base-Base interactions energy: -1356.806
where: short stacking energy: -582.015
Base-Backbone interact. energy: -3.562
local terms energy: -632.555187
where:
bonds (distance) C4'-P energy: -107.753
bonds (distance) P-C4' energy: -125.697
flat angles C4'-P-C4' energy: -134.483
flat angles P-C4'-P energy: -91.977
tors. eta vs tors. theta energy: -172.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1723.028544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.028544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.028544 (E_RNA)
where:
Base-Base interactions energy: -1199.897
where: short stacking energy: -501.412
Base-Backbone interact. energy: -2.045
local terms energy: -521.086443
where:
bonds (distance) C4'-P energy: -95.592
bonds (distance) P-C4' energy: -101.677
flat angles C4'-P-C4' energy: -133.955
flat angles P-C4'-P energy: -69.670
tors. eta vs tors. theta energy: -120.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1482.122998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.122998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.122998 (E_RNA)
where:
Base-Base interactions energy: -966.565
where: short stacking energy: -434.577
Base-Backbone interact. energy: 1.248
local terms energy: -516.806093
where:
bonds (distance) C4'-P energy: -104.482
bonds (distance) P-C4' energy: -106.071
flat angles C4'-P-C4' energy: -129.390
flat angles P-C4'-P energy: -78.599
tors. eta vs tors. theta energy: -98.264
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: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1076.531868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.531868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.531868 (E_RNA)
where:
Base-Base interactions energy: -635.663
where: short stacking energy: -303.646
Base-Backbone interact. energy: 2.406
local terms energy: -443.275204
where:
bonds (distance) C4'-P energy: -100.114
bonds (distance) P-C4' energy: -118.131
flat angles C4'-P-C4' energy: -127.944
flat angles P-C4'-P energy: -64.757
tors. eta vs tors. theta energy: -32.330
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: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -849.556989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.556989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.556989 (E_RNA)
where:
Base-Base interactions energy: -463.162
where: short stacking energy: -251.349
Base-Backbone interact. energy: 3.460
local terms energy: -389.854950
where:
bonds (distance) C4'-P energy: -118.341
bonds (distance) P-C4' energy: -111.749
flat angles C4'-P-C4' energy: -101.268
flat angles P-C4'-P energy: -44.224
tors. eta vs tors. theta energy: -14.273
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: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -746.549217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.549217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.549217 (E_RNA)
where:
Base-Base interactions energy: -399.072
where: short stacking energy: -229.363
Base-Backbone interact. energy: -0.784
local terms energy: -346.692923
where:
bonds (distance) C4'-P energy: -96.795
bonds (distance) P-C4' energy: -99.872
flat angles C4'-P-C4' energy: -86.412
flat angles P-C4'-P energy: -57.866
tors. eta vs tors. theta energy: -5.748
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: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2319.590970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.590970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.590970 (E_RNA)
where:
Base-Base interactions energy: -1620.230
where: short stacking energy: -708.013
Base-Backbone interact. energy: -0.239
local terms energy: -699.121798
where:
bonds (distance) C4'-P energy: -131.961
bonds (distance) P-C4' energy: -137.116
flat angles C4'-P-C4' energy: -142.274
flat angles P-C4'-P energy: -85.947
tors. eta vs tors. theta energy: -201.824
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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2279.935414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.935414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.935414 (E_RNA)
where:
Base-Base interactions energy: -1597.647
where: short stacking energy: -637.107
Base-Backbone interact. energy: -1.809
local terms energy: -680.479881
where:
bonds (distance) C4'-P energy: -120.581
bonds (distance) P-C4' energy: -131.446
flat angles C4'-P-C4' energy: -151.169
flat angles P-C4'-P energy: -94.796
tors. eta vs tors. theta energy: -182.488
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: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2121.235011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.235011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.235011 (E_RNA)
where:
Base-Base interactions energy: -1463.303
where: short stacking energy: -633.582
Base-Backbone interact. energy: -0.262
local terms energy: -657.669878
where:
bonds (distance) C4'-P energy: -118.503
bonds (distance) P-C4' energy: -134.727
flat angles C4'-P-C4' energy: -137.765
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -176.180
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: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2068.599589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.599589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.599589 (E_RNA)
where:
Base-Base interactions energy: -1422.049
where: short stacking energy: -588.506
Base-Backbone interact. energy: 1.362
local terms energy: -647.912291
where:
bonds (distance) C4'-P energy: -113.327
bonds (distance) P-C4' energy: -133.002
flat angles C4'-P-C4' energy: -142.365
flat angles P-C4'-P energy: -92.405
tors. eta vs tors. theta energy: -166.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1946.057436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.057436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.057436 (E_RNA)
where:
Base-Base interactions energy: -1337.954
where: short stacking energy: -558.282
Base-Backbone interact. energy: -1.290
local terms energy: -606.813468
where:
bonds (distance) C4'-P energy: -112.780
bonds (distance) P-C4' energy: -132.100
flat angles C4'-P-C4' energy: -132.038
flat angles P-C4'-P energy: -84.457
tors. eta vs tors. theta energy: -145.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1765.253617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.253617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.253617 (E_RNA)
where:
Base-Base interactions energy: -1212.627
where: short stacking energy: -515.497
Base-Backbone interact. energy: -0.541
local terms energy: -552.085189
where:
bonds (distance) C4'-P energy: -100.909
bonds (distance) P-C4' energy: -124.473
flat angles C4'-P-C4' energy: -119.074
flat angles P-C4'-P energy: -78.524
tors. eta vs tors. theta energy: -129.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1520.233819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.233819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.233819 (E_RNA)
where:
Base-Base interactions energy: -974.292
where: short stacking energy: -424.095
Base-Backbone interact. energy: -4.314
local terms energy: -541.627987
where:
bonds (distance) C4'-P energy: -94.422
bonds (distance) P-C4' energy: -123.084
flat angles C4'-P-C4' energy: -135.846
flat angles P-C4'-P energy: -79.236
tors. eta vs tors. theta energy: -109.040
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: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1078.776517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.776517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.776517 (E_RNA)
where:
Base-Base interactions energy: -674.507
where: short stacking energy: -351.665
Base-Backbone interact. energy: -0.777
local terms energy: -403.492601
where:
bonds (distance) C4'-P energy: -79.698
bonds (distance) P-C4' energy: -91.796
flat angles C4'-P-C4' energy: -127.257
flat angles P-C4'-P energy: -51.683
tors. eta vs tors. theta energy: -53.058
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -912.346575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.346575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.346575 (E_RNA)
where:
Base-Base interactions energy: -545.416
where: short stacking energy: -287.901
Base-Backbone interact. energy: -1.686
local terms energy: -365.244675
where:
bonds (distance) C4'-P energy: -90.687
bonds (distance) P-C4' energy: -132.385
flat angles C4'-P-C4' energy: -83.293
flat angles P-C4'-P energy: -48.241
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -737.018464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.018464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.018464 (E_RNA)
where:
Base-Base interactions energy: -393.908
where: short stacking energy: -214.583
Base-Backbone interact. energy: -2.984
local terms energy: -340.126348
where:
bonds (distance) C4'-P energy: -71.540
bonds (distance) P-C4' energy: -106.170
flat angles C4'-P-C4' energy: -92.782
flat angles P-C4'-P energy: -56.882
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: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2332.354416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.354416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.354416 (E_RNA)
where:
Base-Base interactions energy: -1600.742
where: short stacking energy: -710.466
Base-Backbone interact. energy: -2.528
local terms energy: -729.084750
where:
bonds (distance) C4'-P energy: -124.621
bonds (distance) P-C4' energy: -143.458
flat angles C4'-P-C4' energy: -151.833
flat angles P-C4'-P energy: -105.875
tors. eta vs tors. theta energy: -203.297
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: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2272.695252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.695252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.695252 (E_RNA)
where:
Base-Base interactions energy: -1617.434
where: short stacking energy: -635.452
Base-Backbone interact. energy: 0.644
local terms energy: -655.905289
where:
bonds (distance) C4'-P energy: -127.759
bonds (distance) P-C4' energy: -130.461
flat angles C4'-P-C4' energy: -149.166
flat angles P-C4'-P energy: -79.175
tors. eta vs tors. theta energy: -169.344
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: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2104.212831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.212831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.212831 (E_RNA)
where:
Base-Base interactions energy: -1447.752
where: short stacking energy: -627.580
Base-Backbone interact. energy: -0.370
local terms energy: -656.091075
where:
bonds (distance) C4'-P energy: -122.903
bonds (distance) P-C4' energy: -120.730
flat angles C4'-P-C4' energy: -140.890
flat angles P-C4'-P energy: -96.828
tors. eta vs tors. theta energy: -174.739
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: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2058.390376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.390376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.390376 (E_RNA)
where:
Base-Base interactions energy: -1419.472
where: short stacking energy: -593.382
Base-Backbone interact. energy: -0.234
local terms energy: -638.684104
where:
bonds (distance) C4'-P energy: -113.025
bonds (distance) P-C4' energy: -134.451
flat angles C4'-P-C4' energy: -140.957
flat angles P-C4'-P energy: -95.959
tors. eta vs tors. theta energy: -154.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1924.602664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.602664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.602664 (E_RNA)
where:
Base-Base interactions energy: -1322.943
where: short stacking energy: -582.841
Base-Backbone interact. energy: -0.202
local terms energy: -601.457260
where:
bonds (distance) C4'-P energy: -99.239
bonds (distance) P-C4' energy: -109.354
flat angles C4'-P-C4' energy: -135.770
flat angles P-C4'-P energy: -98.877
tors. eta vs tors. theta energy: -158.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1753.675141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.675141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.675141 (E_RNA)
where:
Base-Base interactions energy: -1170.450
where: short stacking energy: -506.436
Base-Backbone interact. energy: -0.973
local terms energy: -582.251398
where:
bonds (distance) C4'-P energy: -115.213
bonds (distance) P-C4' energy: -109.540
flat angles C4'-P-C4' energy: -130.754
flat angles P-C4'-P energy: -97.670
tors. eta vs tors. theta energy: -129.073
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: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1469.320605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.320605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.320605 (E_RNA)
where:
Base-Base interactions energy: -985.382
where: short stacking energy: -435.739
Base-Backbone interact. energy: 0.388
local terms energy: -484.327027
where:
bonds (distance) C4'-P energy: -98.981
bonds (distance) P-C4' energy: -105.160
flat angles C4'-P-C4' energy: -101.456
flat angles P-C4'-P energy: -75.631
tors. eta vs tors. theta energy: -103.099
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: 8, replica: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1097.673815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.673815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.673815 (E_RNA)
where:
Base-Base interactions energy: -671.543
where: short stacking energy: -308.221
Base-Backbone interact. energy: 5.112
local terms energy: -431.242784
where:
bonds (distance) C4'-P energy: -108.247
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -89.725
flat angles P-C4'-P energy: -53.098
tors. eta vs tors. theta energy: -54.026
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: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -919.636041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.636041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.636041 (E_RNA)
where:
Base-Base interactions energy: -531.298
where: short stacking energy: -278.510
Base-Backbone interact. energy: 3.070
local terms energy: -391.407995
where:
bonds (distance) C4'-P energy: -99.023
bonds (distance) P-C4' energy: -109.691
flat angles C4'-P-C4' energy: -113.891
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -29.198
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: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -774.821399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.821399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.821399 (E_RNA)
where:
Base-Base interactions energy: -417.955
where: short stacking energy: -214.322
Base-Backbone interact. energy: -4.522
local terms energy: -352.344502
where:
bonds (distance) C4'-P energy: -103.091
bonds (distance) P-C4' energy: -106.847
flat angles C4'-P-C4' energy: -96.164
flat angles P-C4'-P energy: -51.378
tors. eta vs tors. theta energy: 5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2319.504516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.504516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.504516 (E_RNA)
where:
Base-Base interactions energy: -1603.501
where: short stacking energy: -686.897
Base-Backbone interact. energy: -3.597
local terms energy: -712.406603
where:
bonds (distance) C4'-P energy: -128.075
bonds (distance) P-C4' energy: -131.517
flat angles C4'-P-C4' energy: -149.978
flat angles P-C4'-P energy: -100.552
tors. eta vs tors. theta energy: -202.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2245.878191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.878191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.878191 (E_RNA)
where:
Base-Base interactions energy: -1594.375
where: short stacking energy: -617.908
Base-Backbone interact. energy: -3.522
local terms energy: -647.981406
where:
bonds (distance) C4'-P energy: -126.087
bonds (distance) P-C4' energy: -115.081
flat angles C4'-P-C4' energy: -149.481
flat angles P-C4'-P energy: -79.827
tors. eta vs tors. theta energy: -177.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2119.597112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.597112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.597112 (E_RNA)
where:
Base-Base interactions energy: -1466.194
where: short stacking energy: -602.627
Base-Backbone interact. energy: 2.876
local terms energy: -656.278845
where:
bonds (distance) C4'-P energy: -123.659
bonds (distance) P-C4' energy: -139.267
flat angles C4'-P-C4' energy: -144.220
flat angles P-C4'-P energy: -85.549
tors. eta vs tors. theta energy: -163.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2115.564221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.564221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.564221 (E_RNA)
where:
Base-Base interactions energy: -1463.809
where: short stacking energy: -613.599
Base-Backbone interact. energy: -1.531
local terms energy: -650.223903
where:
bonds (distance) C4'-P energy: -116.304
bonds (distance) P-C4' energy: -128.837
flat angles C4'-P-C4' energy: -137.433
flat angles P-C4'-P energy: -89.734
tors. eta vs tors. theta energy: -177.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1931.384130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.384130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.384130 (E_RNA)
where:
Base-Base interactions energy: -1304.514
where: short stacking energy: -548.384
Base-Backbone interact. energy: -0.578
local terms energy: -626.292641
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -135.009
flat angles C4'-P-C4' energy: -130.108
flat angles P-C4'-P energy: -95.585
tors. eta vs tors. theta energy: -149.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1774.301282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.301282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.301282 (E_RNA)
where:
Base-Base interactions energy: -1225.587
where: short stacking energy: -501.352
Base-Backbone interact. energy: -1.370
local terms energy: -547.344512
where:
bonds (distance) C4'-P energy: -106.899
bonds (distance) P-C4' energy: -111.342
flat angles C4'-P-C4' energy: -125.275
flat angles P-C4'-P energy: -78.688
tors. eta vs tors. theta energy: -125.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1489.144108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.144108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.144108 (E_RNA)
where:
Base-Base interactions energy: -966.650
where: short stacking energy: -414.077
Base-Backbone interact. energy: -0.238
local terms energy: -522.256101
where:
bonds (distance) C4'-P energy: -119.076
bonds (distance) P-C4' energy: -112.807
flat angles C4'-P-C4' energy: -127.367
flat angles P-C4'-P energy: -73.996
tors. eta vs tors. theta energy: -89.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1212.751509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.751509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.751509 (E_RNA)
where:
Base-Base interactions energy: -761.676
where: short stacking energy: -336.032
Base-Backbone interact. energy: -3.063
local terms energy: -448.012788
where:
bonds (distance) C4'-P energy: -122.724
bonds (distance) P-C4' energy: -118.333
flat angles C4'-P-C4' energy: -109.621
flat angles P-C4'-P energy: -50.658
tors. eta vs tors. theta energy: -46.677
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: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -963.141957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.141957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.141957 (E_RNA)
where:
Base-Base interactions energy: -534.260
where: short stacking energy: -281.592
Base-Backbone interact. energy: -3.984
local terms energy: -424.897972
where:
bonds (distance) C4'-P energy: -94.687
bonds (distance) P-C4' energy: -130.938
flat angles C4'-P-C4' energy: -98.277
flat angles P-C4'-P energy: -74.424
tors. eta vs tors. theta energy: -26.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -779.904885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.904885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.904885 (E_RNA)
where:
Base-Base interactions energy: -399.675
where: short stacking energy: -233.047
Base-Backbone interact. energy: -0.782
local terms energy: -379.448158
where:
bonds (distance) C4'-P energy: -100.233
bonds (distance) P-C4' energy: -107.841
flat angles C4'-P-C4' energy: -96.516
flat angles P-C4'-P energy: -55.367
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2336.580614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.580614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.580614 (E_RNA)
where:
Base-Base interactions energy: -1606.385
where: short stacking energy: -698.845
Base-Backbone interact. energy: -3.146
local terms energy: -727.049777
where:
bonds (distance) C4'-P energy: -130.599
bonds (distance) P-C4' energy: -133.185
flat angles C4'-P-C4' energy: -154.635
flat angles P-C4'-P energy: -105.510
tors. eta vs tors. theta energy: -203.120
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: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2320.330904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.330904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.330904 (E_RNA)
where:
Base-Base interactions energy: -1608.030
where: short stacking energy: -672.505
Base-Backbone interact. energy: -3.442
local terms energy: -708.859608
where:
bonds (distance) C4'-P energy: -135.153
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -148.031
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -194.927
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: 261
Temperature: 1.000000
Total energy: -2123.728591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.728591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.728591 (E_RNA)
where:
Base-Base interactions energy: -1479.455
where: short stacking energy: -615.116
Base-Backbone interact. energy: 2.693
local terms energy: -646.966631
where:
bonds (distance) C4'-P energy: -127.408
bonds (distance) P-C4' energy: -115.114
flat angles C4'-P-C4' energy: -143.039
flat angles P-C4'-P energy: -96.681
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: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1998.373451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.373451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.373451 (E_RNA)
where:
Base-Base interactions energy: -1400.261
where: short stacking energy: -591.865
Base-Backbone interact. energy: 0.783
local terms energy: -598.895673
where:
bonds (distance) C4'-P energy: -109.183
bonds (distance) P-C4' energy: -114.002
flat angles C4'-P-C4' energy: -134.083
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -166.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1927.750873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.750873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.750873 (E_RNA)
where:
Base-Base interactions energy: -1327.230
where: short stacking energy: -576.729
Base-Backbone interact. energy: 2.557
local terms energy: -603.077443
where:
bonds (distance) C4'-P energy: -122.514
bonds (distance) P-C4' energy: -113.888
flat angles C4'-P-C4' energy: -126.447
flat angles P-C4'-P energy: -88.739
tors. eta vs tors. theta energy: -151.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1748.357988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.357988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.357988 (E_RNA)
where:
Base-Base interactions energy: -1195.215
where: short stacking energy: -482.712
Base-Backbone interact. energy: -2.031
local terms energy: -551.112153
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -115.875
flat angles C4'-P-C4' energy: -115.133
flat angles P-C4'-P energy: -75.645
tors. eta vs tors. theta energy: -129.770
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: 261
Temperature: 1.200000
Total energy: -1463.122752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.122752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.122752 (E_RNA)
where:
Base-Base interactions energy: -949.150
where: short stacking energy: -389.941
Base-Backbone interact. energy: 0.819
local terms energy: -514.792222
where:
bonds (distance) C4'-P energy: -124.111
bonds (distance) P-C4' energy: -123.566
flat angles C4'-P-C4' energy: -108.070
flat angles P-C4'-P energy: -81.107
tors. eta vs tors. theta energy: -77.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1204.851849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.851849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.851849 (E_RNA)
where:
Base-Base interactions energy: -749.578
where: short stacking energy: -345.165
Base-Backbone interact. energy: -1.754
local terms energy: -453.519347
where:
bonds (distance) C4'-P energy: -110.904
bonds (distance) P-C4' energy: -125.776
flat angles C4'-P-C4' energy: -113.111
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -56.263
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: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -917.253430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.253430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.253430 (E_RNA)
where:
Base-Base interactions energy: -524.897
where: short stacking energy: -259.122
Base-Backbone interact. energy: 2.028
local terms energy: -394.384309
where:
bonds (distance) C4'-P energy: -96.757
bonds (distance) P-C4' energy: -107.129
flat angles C4'-P-C4' energy: -87.768
flat angles P-C4'-P energy: -73.568
tors. eta vs tors. theta energy: -29.161
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: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -743.036565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.036565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.036565 (E_RNA)
where:
Base-Base interactions energy: -383.007
where: short stacking energy: -221.361
Base-Backbone interact. energy: -0.051
local terms energy: -359.978721
where:
bonds (distance) C4'-P energy: -108.449
bonds (distance) P-C4' energy: -107.296
flat angles C4'-P-C4' energy: -101.859
flat angles P-C4'-P energy: -53.141
tors. eta vs tors. theta energy: 10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2323.510325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.510325 (E_RNA)
where:
Base-Base interactions energy: -1609.062
where: short stacking energy: -694.381
Base-Backbone interact. energy: -5.249
local terms energy: -709.199511
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -132.473
flat angles C4'-P-C4' energy: -145.564
flat angles P-C4'-P energy: -101.368
tors. eta vs tors. theta energy: -201.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2252.372039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.372039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.372039 (E_RNA)
where:
Base-Base interactions energy: -1556.369
where: short stacking energy: -642.828
Base-Backbone interact. energy: 1.363
local terms energy: -697.366184
where:
bonds (distance) C4'-P energy: -129.095
bonds (distance) P-C4' energy: -134.192
flat angles C4'-P-C4' energy: -150.682
flat angles P-C4'-P energy: -102.628
tors. eta vs tors. theta energy: -180.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2160.075389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.075389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.075389 (E_RNA)
where:
Base-Base interactions energy: -1477.311
where: short stacking energy: -622.781
Base-Backbone interact. energy: 5.862
local terms energy: -688.626280
where:
bonds (distance) C4'-P energy: -118.966
bonds (distance) P-C4' energy: -134.921
flat angles C4'-P-C4' energy: -155.535
flat angles P-C4'-P energy: -103.416
tors. eta vs tors. theta energy: -175.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2020.773930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.773930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.773930 (E_RNA)
where:
Base-Base interactions energy: -1407.311
where: short stacking energy: -573.553
Base-Backbone interact. energy: -3.031
local terms energy: -610.432157
where:
bonds (distance) C4'-P energy: -122.413
bonds (distance) P-C4' energy: -110.650
flat angles C4'-P-C4' energy: -129.182
flat angles P-C4'-P energy: -88.254
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: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1912.296354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.296354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.296354 (E_RNA)
where:
Base-Base interactions energy: -1304.241
where: short stacking energy: -547.516
Base-Backbone interact. energy: -2.017
local terms energy: -606.038821
where:
bonds (distance) C4'-P energy: -125.736
bonds (distance) P-C4' energy: -114.091
flat angles C4'-P-C4' energy: -126.054
flat angles P-C4'-P energy: -97.966
tors. eta vs tors. theta energy: -142.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1739.624951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.624951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.624951 (E_RNA)
where:
Base-Base interactions energy: -1192.611
where: short stacking energy: -514.756
Base-Backbone interact. energy: -4.255
local terms energy: -542.758104
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -108.562
flat angles C4'-P-C4' energy: -116.118
flat angles P-C4'-P energy: -91.876
tors. eta vs tors. theta energy: -118.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1472.491184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.491184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.491184 (E_RNA)
where:
Base-Base interactions energy: -926.593
where: short stacking energy: -422.475
Base-Backbone interact. energy: 4.237
local terms energy: -550.134769
where:
bonds (distance) C4'-P energy: -114.997
bonds (distance) P-C4' energy: -121.042
flat angles C4'-P-C4' energy: -131.479
flat angles P-C4'-P energy: -71.862
tors. eta vs tors. theta energy: -110.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1191.324474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.324474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.324474 (E_RNA)
where:
Base-Base interactions energy: -724.444
where: short stacking energy: -351.504
Base-Backbone interact. energy: -2.247
local terms energy: -464.633823
where:
bonds (distance) C4'-P energy: -115.860
bonds (distance) P-C4' energy: -115.999
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -61.535
tors. eta vs tors. theta energy: -64.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -932.868930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.868930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.868930 (E_RNA)
where:
Base-Base interactions energy: -534.162
where: short stacking energy: -266.823
Base-Backbone interact. energy: 2.479
local terms energy: -401.185595
where:
bonds (distance) C4'-P energy: -115.104
bonds (distance) P-C4' energy: -109.169
flat angles C4'-P-C4' energy: -107.585
flat angles P-C4'-P energy: -55.680
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -734.906368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.906368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.906368 (E_RNA)
where:
Base-Base interactions energy: -371.044
where: short stacking energy: -202.032
Base-Backbone interact. energy: -3.583
local terms energy: -360.279817
where:
bonds (distance) C4'-P energy: -99.210
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -78.489
flat angles P-C4'-P energy: -67.273
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2324.520272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.520272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.520272 (E_RNA)
where:
Base-Base interactions energy: -1604.000
where: short stacking energy: -685.084
Base-Backbone interact. energy: -0.904
local terms energy: -719.616310
where:
bonds (distance) C4'-P energy: -127.068
bonds (distance) P-C4' energy: -138.461
flat angles C4'-P-C4' energy: -146.140
flat angles P-C4'-P energy: -112.615
tors. eta vs tors. theta energy: -195.333
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: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2238.942553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.942553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.942553 (E_RNA)
where:
Base-Base interactions energy: -1563.309
where: short stacking energy: -623.509
Base-Backbone interact. energy: 0.948
local terms energy: -676.581390
where:
bonds (distance) C4'-P energy: -123.209
bonds (distance) P-C4' energy: -119.415
flat angles C4'-P-C4' energy: -155.950
flat angles P-C4'-P energy: -102.273
tors. eta vs tors. theta energy: -175.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2194.135707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.135707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.135707 (E_RNA)
where:
Base-Base interactions energy: -1508.851
where: short stacking energy: -654.680
Base-Backbone interact. energy: 0.888
local terms energy: -686.172098
where:
bonds (distance) C4'-P energy: -126.569
bonds (distance) P-C4' energy: -132.105
flat angles C4'-P-C4' energy: -151.916
flat angles P-C4'-P energy: -94.080
tors. eta vs tors. theta energy: -181.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2002.663996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.663996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.663996 (E_RNA)
where:
Base-Base interactions energy: -1377.055
where: short stacking energy: -585.225
Base-Backbone interact. energy: 1.133
local terms energy: -626.741047
where:
bonds (distance) C4'-P energy: -103.556
bonds (distance) P-C4' energy: -124.547
flat angles C4'-P-C4' energy: -132.341
flat angles P-C4'-P energy: -92.098
tors. eta vs tors. theta energy: -174.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1905.326265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.326265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.326265 (E_RNA)
where:
Base-Base interactions energy: -1300.741
where: short stacking energy: -543.142
Base-Backbone interact. energy: -3.897
local terms energy: -600.688507
where:
bonds (distance) C4'-P energy: -110.763
bonds (distance) P-C4' energy: -124.461
flat angles C4'-P-C4' energy: -139.789
flat angles P-C4'-P energy: -83.347
tors. eta vs tors. theta energy: -142.329
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: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1741.487746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.487746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.487746 (E_RNA)
where:
Base-Base interactions energy: -1172.389
where: short stacking energy: -513.060
Base-Backbone interact. energy: 0.998
local terms energy: -570.097426
where:
bonds (distance) C4'-P energy: -104.623
bonds (distance) P-C4' energy: -122.684
flat angles C4'-P-C4' energy: -129.615
flat angles P-C4'-P energy: -80.233
tors. eta vs tors. theta energy: -132.943
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: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1398.892834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.892834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.892834 (E_RNA)
where:
Base-Base interactions energy: -883.940
where: short stacking energy: -377.868
Base-Backbone interact. energy: 1.490
local terms energy: -516.442398
where:
bonds (distance) C4'-P energy: -104.388
bonds (distance) P-C4' energy: -120.209
flat angles C4'-P-C4' energy: -138.756
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: -74.034
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1080.097288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.097288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.097288 (E_RNA)
where:
Base-Base interactions energy: -673.000
where: short stacking energy: -330.326
Base-Backbone interact. energy: -1.485
local terms energy: -405.612122
where:
bonds (distance) C4'-P energy: -77.752
bonds (distance) P-C4' energy: -101.435
flat angles C4'-P-C4' energy: -95.035
flat angles P-C4'-P energy: -67.693
tors. eta vs tors. theta energy: -63.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -894.322358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.322358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.322358 (E_RNA)
where:
Base-Base interactions energy: -490.403
where: short stacking energy: -260.577
Base-Backbone interact. energy: 0.378
local terms energy: -404.296603
where:
bonds (distance) C4'-P energy: -95.457
bonds (distance) P-C4' energy: -105.300
flat angles C4'-P-C4' energy: -98.493
flat angles P-C4'-P energy: -82.843
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -686.396213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.396213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.396213 (E_RNA)
where:
Base-Base interactions energy: -321.318
where: short stacking energy: -208.641
Base-Backbone interact. energy: -2.103
local terms energy: -362.975480
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -104.036
flat angles P-C4'-P energy: -52.500
tors. eta vs tors. theta energy: 10.470
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: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2308.303836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.303836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.303836 (E_RNA)
where:
Base-Base interactions energy: -1590.243
where: short stacking energy: -690.665
Base-Backbone interact. energy: 3.134
local terms energy: -721.195271
where:
bonds (distance) C4'-P energy: -135.469
bonds (distance) P-C4' energy: -139.249
flat angles C4'-P-C4' energy: -148.270
flat angles P-C4'-P energy: -103.606
tors. eta vs tors. theta energy: -194.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2268.604043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.604043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.604043 (E_RNA)
where:
Base-Base interactions energy: -1579.379
where: short stacking energy: -611.598
Base-Backbone interact. energy: 0.917
local terms energy: -690.141912
where:
bonds (distance) C4'-P energy: -134.802
bonds (distance) P-C4' energy: -128.061
flat angles C4'-P-C4' energy: -146.465
flat angles P-C4'-P energy: -100.865
tors. eta vs tors. theta energy: -179.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2191.751380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.751380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.751380 (E_RNA)
where:
Base-Base interactions energy: -1524.000
where: short stacking energy: -650.313
Base-Backbone interact. energy: 0.880
local terms energy: -668.630709
where:
bonds (distance) C4'-P energy: -126.691
bonds (distance) P-C4' energy: -115.720
flat angles C4'-P-C4' energy: -143.989
flat angles P-C4'-P energy: -97.697
tors. eta vs tors. theta energy: -184.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2023.150125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.150125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.150125 (E_RNA)
where:
Base-Base interactions energy: -1399.953
where: short stacking energy: -606.270
Base-Backbone interact. energy: -1.721
local terms energy: -621.476598
where:
bonds (distance) C4'-P energy: -114.956
bonds (distance) P-C4' energy: -119.579
flat angles C4'-P-C4' energy: -127.473
flat angles P-C4'-P energy: -77.890
tors. eta vs tors. theta energy: -181.579
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: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1894.780850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.780850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.780850 (E_RNA)
where:
Base-Base interactions energy: -1298.362
where: short stacking energy: -541.894
Base-Backbone interact. energy: 4.433
local terms energy: -600.851846
where:
bonds (distance) C4'-P energy: -115.546
bonds (distance) P-C4' energy: -131.777
flat angles C4'-P-C4' energy: -114.249
flat angles P-C4'-P energy: -99.012
tors. eta vs tors. theta energy: -140.268
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: 264
Temperature: 1.150000
Total energy: -1755.597175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.597175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.597175 (E_RNA)
where:
Base-Base interactions energy: -1186.387
where: short stacking energy: -513.401
Base-Backbone interact. energy: -0.457
local terms energy: -568.753327
where:
bonds (distance) C4'-P energy: -123.456
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -120.910
flat angles P-C4'-P energy: -82.303
tors. eta vs tors. theta energy: -135.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1420.678879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.678879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.678879 (E_RNA)
where:
Base-Base interactions energy: -919.836
where: short stacking energy: -401.042
Base-Backbone interact. energy: -3.543
local terms energy: -497.300084
where:
bonds (distance) C4'-P energy: -92.114
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -130.245
flat angles P-C4'-P energy: -71.968
tors. eta vs tors. theta energy: -83.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1107.036013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.036013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.036013 (E_RNA)
where:
Base-Base interactions energy: -699.598
where: short stacking energy: -307.622
Base-Backbone interact. energy: -0.617
local terms energy: -406.821112
where:
bonds (distance) C4'-P energy: -99.251
bonds (distance) P-C4' energy: -97.007
flat angles C4'-P-C4' energy: -114.842
flat angles P-C4'-P energy: -51.329
tors. eta vs tors. theta energy: -44.392
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: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -913.873101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.873101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.873101 (E_RNA)
where:
Base-Base interactions energy: -487.938
where: short stacking energy: -283.472
Base-Backbone interact. energy: -3.293
local terms energy: -422.641433
where:
bonds (distance) C4'-P energy: -97.336
bonds (distance) P-C4' energy: -121.798
flat angles C4'-P-C4' energy: -91.587
flat angles P-C4'-P energy: -75.781
tors. eta vs tors. theta energy: -36.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -688.417714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.417714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.417714 (E_RNA)
where:
Base-Base interactions energy: -326.674
where: short stacking energy: -205.084
Base-Backbone interact. energy: -1.635
local terms energy: -360.108128
where:
bonds (distance) C4'-P energy: -83.713
bonds (distance) P-C4' energy: -112.093
flat angles C4'-P-C4' energy: -98.954
flat angles P-C4'-P energy: -58.269
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2315.185440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.185440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.185440 (E_RNA)
where:
Base-Base interactions energy: -1597.371
where: short stacking energy: -707.089
Base-Backbone interact. energy: -1.220
local terms energy: -716.594102
where:
bonds (distance) C4'-P energy: -135.045
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -162.576
flat angles P-C4'-P energy: -98.347
tors. eta vs tors. theta energy: -191.643
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2254.946722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.946722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.946722 (E_RNA)
where:
Base-Base interactions energy: -1582.909
where: short stacking energy: -614.443
Base-Backbone interact. energy: -1.770
local terms energy: -670.267462
where:
bonds (distance) C4'-P energy: -136.029
bonds (distance) P-C4' energy: -119.872
flat angles C4'-P-C4' energy: -132.256
flat angles P-C4'-P energy: -101.145
tors. eta vs tors. theta energy: -180.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2126.596628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.596628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.596628 (E_RNA)
where:
Base-Base interactions energy: -1488.089
where: short stacking energy: -599.861
Base-Backbone interact. energy: -0.481
local terms energy: -638.026205
where:
bonds (distance) C4'-P energy: -121.723
bonds (distance) P-C4' energy: -125.218
flat angles C4'-P-C4' energy: -143.296
flat angles P-C4'-P energy: -87.628
tors. eta vs tors. theta energy: -160.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2020.974323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.974323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.974323 (E_RNA)
where:
Base-Base interactions energy: -1376.892
where: short stacking energy: -598.936
Base-Backbone interact. energy: -3.866
local terms energy: -640.216861
where:
bonds (distance) C4'-P energy: -120.138
bonds (distance) P-C4' energy: -110.505
flat angles C4'-P-C4' energy: -143.075
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -175.362
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: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1886.378784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.378784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.378784 (E_RNA)
where:
Base-Base interactions energy: -1312.435
where: short stacking energy: -546.381
Base-Backbone interact. energy: -2.737
local terms energy: -571.206309
where:
bonds (distance) C4'-P energy: -110.868
bonds (distance) P-C4' energy: -107.150
flat angles C4'-P-C4' energy: -134.377
flat angles P-C4'-P energy: -83.942
tors. eta vs tors. theta energy: -134.868
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: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1747.634058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.634058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.634058 (E_RNA)
where:
Base-Base interactions energy: -1200.673
where: short stacking energy: -487.106
Base-Backbone interact. energy: -2.655
local terms energy: -544.306103
where:
bonds (distance) C4'-P energy: -113.848
bonds (distance) P-C4' energy: -122.233
flat angles C4'-P-C4' energy: -116.008
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -124.764
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: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1400.779244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.779244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.779244 (E_RNA)
where:
Base-Base interactions energy: -928.776
where: short stacking energy: -432.956
Base-Backbone interact. energy: 1.058
local terms energy: -473.060991
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -114.284
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -80.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1141.076034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.076034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.076034 (E_RNA)
where:
Base-Base interactions energy: -713.070
where: short stacking energy: -316.621
Base-Backbone interact. energy: -0.236
local terms energy: -427.770515
where:
bonds (distance) C4'-P energy: -106.566
bonds (distance) P-C4' energy: -114.666
flat angles C4'-P-C4' energy: -103.968
flat angles P-C4'-P energy: -55.011
tors. eta vs tors. theta energy: -47.560
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: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -938.941234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.941234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.941234 (E_RNA)
where:
Base-Base interactions energy: -550.853
where: short stacking energy: -300.225
Base-Backbone interact. energy: 1.951
local terms energy: -390.038662
where:
bonds (distance) C4'-P energy: -91.721
bonds (distance) P-C4' energy: -98.098
flat angles C4'-P-C4' energy: -113.401
flat angles P-C4'-P energy: -56.257
tors. eta vs tors. theta energy: -30.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -734.354239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.354239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.354239 (E_RNA)
where:
Base-Base interactions energy: -400.770
where: short stacking energy: -232.205
Base-Backbone interact. energy: 3.309
local terms energy: -336.893680
where:
bonds (distance) C4'-P energy: -109.613
bonds (distance) P-C4' energy: -85.103
flat angles C4'-P-C4' energy: -91.159
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -6.318
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: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2325.481994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.481994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.481994 (E_RNA)
where:
Base-Base interactions energy: -1622.941
where: short stacking energy: -705.378
Base-Backbone interact. energy: -1.816
local terms energy: -700.724461
where:
bonds (distance) C4'-P energy: -136.923
bonds (distance) P-C4' energy: -116.067
flat angles C4'-P-C4' energy: -143.636
flat angles P-C4'-P energy: -105.061
tors. eta vs tors. theta energy: -199.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2265.047160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.047160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.047160 (E_RNA)
where:
Base-Base interactions energy: -1573.905
where: short stacking energy: -628.762
Base-Backbone interact. energy: -2.732
local terms energy: -688.410029
where:
bonds (distance) C4'-P energy: -147.388
bonds (distance) P-C4' energy: -125.158
flat angles C4'-P-C4' energy: -144.328
flat angles P-C4'-P energy: -101.744
tors. eta vs tors. theta energy: -169.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2164.023935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.023935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.023935 (E_RNA)
where:
Base-Base interactions energy: -1501.284
where: short stacking energy: -618.917
Base-Backbone interact. energy: -6.545
local terms energy: -656.195907
where:
bonds (distance) C4'-P energy: -128.573
bonds (distance) P-C4' energy: -119.909
flat angles C4'-P-C4' energy: -152.853
flat angles P-C4'-P energy: -87.589
tors. eta vs tors. theta energy: -167.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2009.512728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.512728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.512728 (E_RNA)
where:
Base-Base interactions energy: -1349.000
where: short stacking energy: -600.836
Base-Backbone interact. energy: -3.167
local terms energy: -657.346099
where:
bonds (distance) C4'-P energy: -112.184
bonds (distance) P-C4' energy: -116.897
flat angles C4'-P-C4' energy: -142.363
flat angles P-C4'-P energy: -92.661
tors. eta vs tors. theta energy: -193.241
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: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1923.694173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.694173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.694173 (E_RNA)
where:
Base-Base interactions energy: -1344.426
where: short stacking energy: -573.159
Base-Backbone interact. energy: 0.370
local terms energy: -579.638800
where:
bonds (distance) C4'-P energy: -114.534
bonds (distance) P-C4' energy: -114.088
flat angles C4'-P-C4' energy: -116.861
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -162.296
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: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1699.915638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.915638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.915638 (E_RNA)
where:
Base-Base interactions energy: -1168.948
where: short stacking energy: -491.929
Base-Backbone interact. energy: -4.741
local terms energy: -526.226462
where:
bonds (distance) C4'-P energy: -120.940
bonds (distance) P-C4' energy: -104.137
flat angles C4'-P-C4' energy: -117.155
flat angles P-C4'-P energy: -68.840
tors. eta vs tors. theta energy: -115.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1435.400238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.400238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.400238 (E_RNA)
where:
Base-Base interactions energy: -910.266
where: short stacking energy: -402.894
Base-Backbone interact. energy: -0.465
local terms energy: -524.669727
where:
bonds (distance) C4'-P energy: -110.580
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -124.663
flat angles P-C4'-P energy: -82.615
tors. eta vs tors. theta energy: -96.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1179.270783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.270783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.270783 (E_RNA)
where:
Base-Base interactions energy: -728.390
where: short stacking energy: -323.524
Base-Backbone interact. energy: 1.170
local terms energy: -452.051636
where:
bonds (distance) C4'-P energy: -105.451
bonds (distance) P-C4' energy: -115.473
flat angles C4'-P-C4' energy: -102.843
flat angles P-C4'-P energy: -66.536
tors. eta vs tors. theta energy: -61.749
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: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -878.806574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.806574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.806574 (E_RNA)
where:
Base-Base interactions energy: -481.654
where: short stacking energy: -278.665
Base-Backbone interact. energy: 2.291
local terms energy: -399.443837
where:
bonds (distance) C4'-P energy: -97.824
bonds (distance) P-C4' energy: -99.668
flat angles C4'-P-C4' energy: -106.438
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: -32.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -780.902075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.902075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.902075 (E_RNA)
where:
Base-Base interactions energy: -411.328
where: short stacking energy: -236.016
Base-Backbone interact. energy: -0.301
local terms energy: -369.272975
where:
bonds (distance) C4'-P energy: -89.650
bonds (distance) P-C4' energy: -108.325
flat angles C4'-P-C4' energy: -107.495
flat angles P-C4'-P energy: -66.530
tors. eta vs tors. theta energy: 2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2297.212550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.212550 (E_RNA)
where:
Base-Base interactions energy: -1596.006
where: short stacking energy: -687.941
Base-Backbone interact. energy: -3.427
local terms energy: -697.780348
where:
bonds (distance) C4'-P energy: -137.061
bonds (distance) P-C4' energy: -124.403
flat angles C4'-P-C4' energy: -147.575
flat angles P-C4'-P energy: -99.913
tors. eta vs tors. theta energy: -188.829
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: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2246.238800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.238800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.238800 (E_RNA)
where:
Base-Base interactions energy: -1568.395
where: short stacking energy: -632.232
Base-Backbone interact. energy: -4.624
local terms energy: -673.219451
where:
bonds (distance) C4'-P energy: -123.148
bonds (distance) P-C4' energy: -117.500
flat angles C4'-P-C4' energy: -150.611
flat angles P-C4'-P energy: -92.992
tors. eta vs tors. theta energy: -188.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2145.206444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.206444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.206444 (E_RNA)
where:
Base-Base interactions energy: -1489.339
where: short stacking energy: -612.298
Base-Backbone interact. energy: -5.649
local terms energy: -650.217994
where:
bonds (distance) C4'-P energy: -116.874
bonds (distance) P-C4' energy: -137.445
flat angles C4'-P-C4' energy: -139.494
flat angles P-C4'-P energy: -94.835
tors. eta vs tors. theta energy: -161.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2036.064895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.064895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.064895 (E_RNA)
where:
Base-Base interactions energy: -1372.280
where: short stacking energy: -597.010
Base-Backbone interact. energy: -2.596
local terms energy: -661.188700
where:
bonds (distance) C4'-P energy: -129.009
bonds (distance) P-C4' energy: -133.489
flat angles C4'-P-C4' energy: -133.888
flat angles P-C4'-P energy: -90.296
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: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1893.493948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.493948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.493948 (E_RNA)
where:
Base-Base interactions energy: -1277.324
where: short stacking energy: -553.372
Base-Backbone interact. energy: 0.919
local terms energy: -617.088177
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -130.547
flat angles C4'-P-C4' energy: -127.368
flat angles P-C4'-P energy: -85.868
tors. eta vs tors. theta energy: -153.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1666.135075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.135075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.135075 (E_RNA)
where:
Base-Base interactions energy: -1105.349
where: short stacking energy: -456.481
Base-Backbone interact. energy: -6.162
local terms energy: -554.623352
where:
bonds (distance) C4'-P energy: -114.580
bonds (distance) P-C4' energy: -121.243
flat angles C4'-P-C4' energy: -121.666
flat angles P-C4'-P energy: -87.082
tors. eta vs tors. theta energy: -110.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1503.495941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.495941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.495941 (E_RNA)
where:
Base-Base interactions energy: -972.672
where: short stacking energy: -446.484
Base-Backbone interact. energy: -1.174
local terms energy: -529.650327
where:
bonds (distance) C4'-P energy: -111.588
bonds (distance) P-C4' energy: -118.007
flat angles C4'-P-C4' energy: -115.104
flat angles P-C4'-P energy: -86.046
tors. eta vs tors. theta energy: -98.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1158.351632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.351632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.351632 (E_RNA)
where:
Base-Base interactions energy: -696.046
where: short stacking energy: -323.159
Base-Backbone interact. energy: -0.171
local terms energy: -462.134771
where:
bonds (distance) C4'-P energy: -107.977
bonds (distance) P-C4' energy: -105.239
flat angles C4'-P-C4' energy: -118.428
flat angles P-C4'-P energy: -69.483
tors. eta vs tors. theta energy: -61.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -914.589795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.589795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.589795 (E_RNA)
where:
Base-Base interactions energy: -492.070
where: short stacking energy: -273.562
Base-Backbone interact. energy: -0.729
local terms energy: -421.790730
where:
bonds (distance) C4'-P energy: -100.758
bonds (distance) P-C4' energy: -104.998
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -62.580
tors. eta vs tors. theta energy: -41.583
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: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -689.682775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.682775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.682775 (E_RNA)
where:
Base-Base interactions energy: -347.800
where: short stacking energy: -199.168
Base-Backbone interact. energy: 7.199
local terms energy: -349.081804
where:
bonds (distance) C4'-P energy: -107.011
bonds (distance) P-C4' energy: -124.042
flat angles C4'-P-C4' energy: -102.354
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: 2.396
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: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2317.195461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.195461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.195461 (E_RNA)
where:
Base-Base interactions energy: -1609.510
where: short stacking energy: -689.948
Base-Backbone interact. energy: -5.132
local terms energy: -702.553682
where:
bonds (distance) C4'-P energy: -132.068
bonds (distance) P-C4' energy: -122.669
flat angles C4'-P-C4' energy: -147.482
flat angles P-C4'-P energy: -100.015
tors. eta vs tors. theta energy: -200.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2257.326407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.326407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.326407 (E_RNA)
where:
Base-Base interactions energy: -1617.296
where: short stacking energy: -621.547
Base-Backbone interact. energy: 1.018
local terms energy: -641.047858
where:
bonds (distance) C4'-P energy: -122.037
bonds (distance) P-C4' energy: -119.331
flat angles C4'-P-C4' energy: -139.224
flat angles P-C4'-P energy: -89.734
tors. eta vs tors. theta energy: -170.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2160.405263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.405263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.405263 (E_RNA)
where:
Base-Base interactions energy: -1498.954
where: short stacking energy: -595.680
Base-Backbone interact. energy: -1.583
local terms energy: -659.868543
where:
bonds (distance) C4'-P energy: -115.800
bonds (distance) P-C4' energy: -131.495
flat angles C4'-P-C4' energy: -143.161
flat angles P-C4'-P energy: -99.774
tors. eta vs tors. theta energy: -169.639
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: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2054.586029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.586029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.586029 (E_RNA)
where:
Base-Base interactions energy: -1412.695
where: short stacking energy: -640.805
Base-Backbone interact. energy: -2.164
local terms energy: -639.726796
where:
bonds (distance) C4'-P energy: -110.227
bonds (distance) P-C4' energy: -119.433
flat angles C4'-P-C4' energy: -132.611
flat angles P-C4'-P energy: -88.640
tors. eta vs tors. theta energy: -188.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1937.680073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.680073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.680073 (E_RNA)
where:
Base-Base interactions energy: -1318.765
where: short stacking energy: -586.751
Base-Backbone interact. energy: -0.888
local terms energy: -618.027378
where:
bonds (distance) C4'-P energy: -116.772
bonds (distance) P-C4' energy: -118.574
flat angles C4'-P-C4' energy: -125.234
flat angles P-C4'-P energy: -101.456
tors. eta vs tors. theta energy: -155.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1679.066672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.066672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.066672 (E_RNA)
where:
Base-Base interactions energy: -1166.773
where: short stacking energy: -475.345
Base-Backbone interact. energy: -4.116
local terms energy: -508.177020
where:
bonds (distance) C4'-P energy: -97.983
bonds (distance) P-C4' energy: -103.555
flat angles C4'-P-C4' energy: -122.931
flat angles P-C4'-P energy: -73.982
tors. eta vs tors. theta energy: -109.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1465.278290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.278290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.278290 (E_RNA)
where:
Base-Base interactions energy: -935.338
where: short stacking energy: -424.227
Base-Backbone interact. energy: -3.682
local terms energy: -526.258258
where:
bonds (distance) C4'-P energy: -114.975
bonds (distance) P-C4' energy: -128.512
flat angles C4'-P-C4' energy: -123.463
flat angles P-C4'-P energy: -71.414
tors. eta vs tors. theta energy: -87.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1213.518014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.518014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.518014 (E_RNA)
where:
Base-Base interactions energy: -758.223
where: short stacking energy: -364.191
Base-Backbone interact. energy: 1.610
local terms energy: -456.905148
where:
bonds (distance) C4'-P energy: -97.212
bonds (distance) P-C4' energy: -102.638
flat angles C4'-P-C4' energy: -114.188
flat angles P-C4'-P energy: -69.933
tors. eta vs tors. theta energy: -72.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -893.456709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.456709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.456709 (E_RNA)
where:
Base-Base interactions energy: -506.741
where: short stacking energy: -262.138
Base-Backbone interact. energy: -1.805
local terms energy: -384.910860
where:
bonds (distance) C4'-P energy: -116.499
bonds (distance) P-C4' energy: -103.657
flat angles C4'-P-C4' energy: -94.051
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -699.928864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.928864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.928864 (E_RNA)
where:
Base-Base interactions energy: -339.032
where: short stacking energy: -219.289
Base-Backbone interact. energy: 3.471
local terms energy: -364.367884
where:
bonds (distance) C4'-P energy: -107.698
bonds (distance) P-C4' energy: -111.132
flat angles C4'-P-C4' energy: -92.793
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2335.056244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.056244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.056244 (E_RNA)
where:
Base-Base interactions energy: -1614.555
where: short stacking energy: -693.067
Base-Backbone interact. energy: -4.932
local terms energy: -715.569139
where:
bonds (distance) C4'-P energy: -122.768
bonds (distance) P-C4' energy: -134.129
flat angles C4'-P-C4' energy: -152.007
flat angles P-C4'-P energy: -103.660
tors. eta vs tors. theta energy: -203.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2274.072159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.072159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.072159 (E_RNA)
where:
Base-Base interactions energy: -1598.452
where: short stacking energy: -630.848
Base-Backbone interact. energy: -3.832
local terms energy: -671.788512
where:
bonds (distance) C4'-P energy: -122.862
bonds (distance) P-C4' energy: -122.690
flat angles C4'-P-C4' energy: -148.686
flat angles P-C4'-P energy: -106.920
tors. eta vs tors. theta energy: -170.631
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: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2152.598029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.598029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.598029 (E_RNA)
where:
Base-Base interactions energy: -1502.730
where: short stacking energy: -608.646
Base-Backbone interact. energy: -9.662
local terms energy: -640.205605
where:
bonds (distance) C4'-P energy: -113.838
bonds (distance) P-C4' energy: -132.494
flat angles C4'-P-C4' energy: -143.594
flat angles P-C4'-P energy: -87.912
tors. eta vs tors. theta energy: -162.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2048.821973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.821973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.821973 (E_RNA)
where:
Base-Base interactions energy: -1403.158
where: short stacking energy: -599.867
Base-Backbone interact. energy: 0.020
local terms energy: -645.684439
where:
bonds (distance) C4'-P energy: -119.733
bonds (distance) P-C4' energy: -128.556
flat angles C4'-P-C4' energy: -138.224
flat angles P-C4'-P energy: -74.931
tors. eta vs tors. theta energy: -184.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1917.298391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.298391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.298391 (E_RNA)
where:
Base-Base interactions energy: -1308.449
where: short stacking energy: -561.337
Base-Backbone interact. energy: -1.274
local terms energy: -607.575744
where:
bonds (distance) C4'-P energy: -118.415
bonds (distance) P-C4' energy: -112.768
flat angles C4'-P-C4' energy: -130.993
flat angles P-C4'-P energy: -97.395
tors. eta vs tors. theta energy: -148.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1657.513903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.513903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.513903 (E_RNA)
where:
Base-Base interactions energy: -1127.023
where: short stacking energy: -462.365
Base-Backbone interact. energy: -2.341
local terms energy: -528.149428
where:
bonds (distance) C4'-P energy: -122.376
bonds (distance) P-C4' energy: -122.968
flat angles C4'-P-C4' energy: -113.321
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -97.610
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1463.872204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.872204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.872204 (E_RNA)
where:
Base-Base interactions energy: -941.489
where: short stacking energy: -459.066
Base-Backbone interact. energy: 1.204
local terms energy: -523.587442
where:
bonds (distance) C4'-P energy: -119.973
bonds (distance) P-C4' energy: -115.892
flat angles C4'-P-C4' energy: -112.471
flat angles P-C4'-P energy: -66.945
tors. eta vs tors. theta energy: -108.307
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: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1215.150426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.150426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.150426 (E_RNA)
where:
Base-Base interactions energy: -744.164
where: short stacking energy: -327.410
Base-Backbone interact. energy: -2.532
local terms energy: -468.454512
where:
bonds (distance) C4'-P energy: -118.526
bonds (distance) P-C4' energy: -117.322
flat angles C4'-P-C4' energy: -120.446
flat angles P-C4'-P energy: -64.685
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -906.160933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.160933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.160933 (E_RNA)
where:
Base-Base interactions energy: -511.377
where: short stacking energy: -251.047
Base-Backbone interact. energy: 3.949
local terms energy: -398.732557
where:
bonds (distance) C4'-P energy: -100.050
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -100.745
flat angles P-C4'-P energy: -52.951
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -726.420943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.420943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.420943 (E_RNA)
where:
Base-Base interactions energy: -361.542
where: short stacking energy: -223.733
Base-Backbone interact. energy: 7.197
local terms energy: -372.076871
where:
bonds (distance) C4'-P energy: -107.305
bonds (distance) P-C4' energy: -122.354
flat angles C4'-P-C4' energy: -92.273
flat angles P-C4'-P energy: -46.843
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2355.120947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.120947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.120947 (E_RNA)
where:
Base-Base interactions energy: -1628.075
where: short stacking energy: -707.644
Base-Backbone interact. energy: -1.855
local terms energy: -725.190716
where:
bonds (distance) C4'-P energy: -123.790
bonds (distance) P-C4' energy: -136.506
flat angles C4'-P-C4' energy: -162.565
flat angles P-C4'-P energy: -95.476
tors. eta vs tors. theta energy: -206.854
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: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2234.864678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.864678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.864678 (E_RNA)
where:
Base-Base interactions energy: -1579.728
where: short stacking energy: -631.621
Base-Backbone interact. energy: 0.799
local terms energy: -655.935800
where:
bonds (distance) C4'-P energy: -116.917
bonds (distance) P-C4' energy: -120.832
flat angles C4'-P-C4' energy: -147.869
flat angles P-C4'-P energy: -90.458
tors. eta vs tors. theta energy: -179.859
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: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2168.900162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.900162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.900162 (E_RNA)
where:
Base-Base interactions energy: -1504.983
where: short stacking energy: -617.599
Base-Backbone interact. energy: -2.432
local terms energy: -661.484722
where:
bonds (distance) C4'-P energy: -140.072
bonds (distance) P-C4' energy: -120.954
flat angles C4'-P-C4' energy: -152.265
flat angles P-C4'-P energy: -77.113
tors. eta vs tors. theta energy: -171.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2054.114363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.114363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.114363 (E_RNA)
where:
Base-Base interactions energy: -1374.773
where: short stacking energy: -614.546
Base-Backbone interact. energy: -4.428
local terms energy: -674.913463
where:
bonds (distance) C4'-P energy: -138.027
bonds (distance) P-C4' energy: -139.080
flat angles C4'-P-C4' energy: -132.675
flat angles P-C4'-P energy: -76.276
tors. eta vs tors. theta energy: -188.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1917.755303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.755303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.755303 (E_RNA)
where:
Base-Base interactions energy: -1307.184
where: short stacking energy: -551.642
Base-Backbone interact. energy: -0.977
local terms energy: -609.594989
where:
bonds (distance) C4'-P energy: -133.182
bonds (distance) P-C4' energy: -113.980
flat angles C4'-P-C4' energy: -139.055
flat angles P-C4'-P energy: -73.066
tors. eta vs tors. theta energy: -150.313
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: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1698.148392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.148392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.148392 (E_RNA)
where:
Base-Base interactions energy: -1147.892
where: short stacking energy: -483.878
Base-Backbone interact. energy: -3.873
local terms energy: -546.382913
where:
bonds (distance) C4'-P energy: -104.122
bonds (distance) P-C4' energy: -116.951
flat angles C4'-P-C4' energy: -130.461
flat angles P-C4'-P energy: -78.898
tors. eta vs tors. theta energy: -115.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1426.838704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.838704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.838704 (E_RNA)
where:
Base-Base interactions energy: -881.646
where: short stacking energy: -393.809
Base-Backbone interact. energy: -0.536
local terms energy: -544.656638
where:
bonds (distance) C4'-P energy: -124.091
bonds (distance) P-C4' energy: -115.624
flat angles C4'-P-C4' energy: -116.468
flat angles P-C4'-P energy: -81.111
tors. eta vs tors. theta energy: -107.363
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: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1201.253173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.253173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.253173 (E_RNA)
where:
Base-Base interactions energy: -756.033
where: short stacking energy: -360.257
Base-Backbone interact. energy: -0.943
local terms energy: -444.277400
where:
bonds (distance) C4'-P energy: -100.666
bonds (distance) P-C4' energy: -97.450
flat angles C4'-P-C4' energy: -103.196
flat angles P-C4'-P energy: -72.445
tors. eta vs tors. theta energy: -70.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -889.822663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.822663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.822663 (E_RNA)
where:
Base-Base interactions energy: -475.591
where: short stacking energy: -283.799
Base-Backbone interact. energy: 4.088
local terms energy: -418.319027
where:
bonds (distance) C4'-P energy: -90.166
bonds (distance) P-C4' energy: -102.643
flat angles C4'-P-C4' energy: -121.401
flat angles P-C4'-P energy: -58.551
tors. eta vs tors. theta energy: -45.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -763.795873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.795873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.795873 (E_RNA)
where:
Base-Base interactions energy: -390.896
where: short stacking energy: -209.861
Base-Backbone interact. energy: -4.330
local terms energy: -368.569861
where:
bonds (distance) C4'-P energy: -99.167
bonds (distance) P-C4' energy: -107.111
flat angles C4'-P-C4' energy: -86.127
flat angles P-C4'-P energy: -65.075
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2349.140572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.140572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.140572 (E_RNA)
where:
Base-Base interactions energy: -1609.590
where: short stacking energy: -700.204
Base-Backbone interact. energy: 1.162
local terms energy: -740.712880
where:
bonds (distance) C4'-P energy: -131.252
bonds (distance) P-C4' energy: -145.856
flat angles C4'-P-C4' energy: -154.465
flat angles P-C4'-P energy: -107.596
tors. eta vs tors. theta energy: -201.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2279.459473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.459473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.459473 (E_RNA)
where:
Base-Base interactions energy: -1591.650
where: short stacking energy: -675.888
Base-Backbone interact. energy: 0.555
local terms energy: -688.363819
where:
bonds (distance) C4'-P energy: -107.882
bonds (distance) P-C4' energy: -142.401
flat angles C4'-P-C4' energy: -150.441
flat angles P-C4'-P energy: -103.309
tors. eta vs tors. theta energy: -184.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2129.619687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.619687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.619687 (E_RNA)
where:
Base-Base interactions energy: -1482.403
where: short stacking energy: -599.260
Base-Backbone interact. energy: -3.869
local terms energy: -643.346915
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -121.546
flat angles C4'-P-C4' energy: -139.750
flat angles P-C4'-P energy: -103.463
tors. eta vs tors. theta energy: -167.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2054.878200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.878200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.878200 (E_RNA)
where:
Base-Base interactions energy: -1406.451
where: short stacking energy: -622.497
Base-Backbone interact. energy: -2.289
local terms energy: -646.138023
where:
bonds (distance) C4'-P energy: -99.240
bonds (distance) P-C4' energy: -137.041
flat angles C4'-P-C4' energy: -136.229
flat angles P-C4'-P energy: -94.988
tors. eta vs tors. theta energy: -178.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1861.154530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.154530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.154530 (E_RNA)
where:
Base-Base interactions energy: -1293.632
where: short stacking energy: -538.351
Base-Backbone interact. energy: -2.026
local terms energy: -565.496496
where:
bonds (distance) C4'-P energy: -99.636
bonds (distance) P-C4' energy: -111.049
flat angles C4'-P-C4' energy: -142.972
flat angles P-C4'-P energy: -85.715
tors. eta vs tors. theta energy: -126.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1700.914272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.914272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.914272 (E_RNA)
where:
Base-Base interactions energy: -1196.578
where: short stacking energy: -477.147
Base-Backbone interact. energy: -0.866
local terms energy: -503.470032
where:
bonds (distance) C4'-P energy: -105.983
bonds (distance) P-C4' energy: -96.842
flat angles C4'-P-C4' energy: -110.138
flat angles P-C4'-P energy: -75.153
tors. eta vs tors. theta energy: -115.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1390.304421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.304421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.304421 (E_RNA)
where:
Base-Base interactions energy: -924.017
where: short stacking energy: -420.979
Base-Backbone interact. energy: -0.307
local terms energy: -465.979892
where:
bonds (distance) C4'-P energy: -96.550
bonds (distance) P-C4' energy: -115.364
flat angles C4'-P-C4' energy: -109.874
flat angles P-C4'-P energy: -68.084
tors. eta vs tors. theta energy: -76.108
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: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1202.420393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.420393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.420393 (E_RNA)
where:
Base-Base interactions energy: -757.329
where: short stacking energy: -357.741
Base-Backbone interact. energy: -2.401
local terms energy: -442.690556
where:
bonds (distance) C4'-P energy: -112.562
bonds (distance) P-C4' energy: -102.496
flat angles C4'-P-C4' energy: -119.607
flat angles P-C4'-P energy: -52.959
tors. eta vs tors. theta energy: -55.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -871.602023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.602023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.602023 (E_RNA)
where:
Base-Base interactions energy: -486.975
where: short stacking energy: -250.997
Base-Backbone interact. energy: -1.289
local terms energy: -383.337795
where:
bonds (distance) C4'-P energy: -82.381
bonds (distance) P-C4' energy: -104.040
flat angles C4'-P-C4' energy: -118.753
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -698.637181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.637181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.637181 (E_RNA)
where:
Base-Base interactions energy: -373.771
where: short stacking energy: -211.996
Base-Backbone interact. energy: 6.175
local terms energy: -331.040427
where:
bonds (distance) C4'-P energy: -98.835
bonds (distance) P-C4' energy: -114.198
flat angles C4'-P-C4' energy: -100.420
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: 9.353
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: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2338.317912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.317912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.317912 (E_RNA)
where:
Base-Base interactions energy: -1607.489
where: short stacking energy: -692.907
Base-Backbone interact. energy: -0.703
local terms energy: -730.126469
where:
bonds (distance) C4'-P energy: -145.110
bonds (distance) P-C4' energy: -132.263
flat angles C4'-P-C4' energy: -153.358
flat angles P-C4'-P energy: -102.266
tors. eta vs tors. theta energy: -197.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2292.356845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.356845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.356845 (E_RNA)
where:
Base-Base interactions energy: -1602.606
where: short stacking energy: -652.205
Base-Backbone interact. energy: -3.150
local terms energy: -686.600502
where:
bonds (distance) C4'-P energy: -130.043
bonds (distance) P-C4' energy: -127.471
flat angles C4'-P-C4' energy: -152.690
flat angles P-C4'-P energy: -91.101
tors. eta vs tors. theta energy: -185.296
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: 272
Temperature: 1.000000
Total energy: -2149.262087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.262087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.262087 (E_RNA)
where:
Base-Base interactions energy: -1539.469
where: short stacking energy: -625.268
Base-Backbone interact. energy: -1.953
local terms energy: -607.840697
where:
bonds (distance) C4'-P energy: -114.420
bonds (distance) P-C4' energy: -114.110
flat angles C4'-P-C4' energy: -133.404
flat angles P-C4'-P energy: -86.628
tors. eta vs tors. theta energy: -159.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2063.240296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.240296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.240296 (E_RNA)
where:
Base-Base interactions energy: -1414.148
where: short stacking energy: -615.195
Base-Backbone interact. energy: 1.224
local terms energy: -650.316444
where:
bonds (distance) C4'-P energy: -128.791
bonds (distance) P-C4' energy: -122.187
flat angles C4'-P-C4' energy: -140.998
flat angles P-C4'-P energy: -81.498
tors. eta vs tors. theta energy: -176.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1886.867451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.867451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.867451 (E_RNA)
where:
Base-Base interactions energy: -1280.824
where: short stacking energy: -556.292
Base-Backbone interact. energy: -0.827
local terms energy: -605.216092
where:
bonds (distance) C4'-P energy: -115.955
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -127.371
flat angles P-C4'-P energy: -81.917
tors. eta vs tors. theta energy: -154.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1688.107580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.107580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.107580 (E_RNA)
where:
Base-Base interactions energy: -1148.893
where: short stacking energy: -486.195
Base-Backbone interact. energy: -4.450
local terms energy: -534.764660
where:
bonds (distance) C4'-P energy: -117.408
bonds (distance) P-C4' energy: -109.845
flat angles C4'-P-C4' energy: -120.793
flat angles P-C4'-P energy: -62.629
tors. eta vs tors. theta energy: -124.090
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: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1406.467870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.467870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.467870 (E_RNA)
where:
Base-Base interactions energy: -880.730
where: short stacking energy: -411.833
Base-Backbone interact. energy: 1.635
local terms energy: -527.372626
where:
bonds (distance) C4'-P energy: -108.156
bonds (distance) P-C4' energy: -109.846
flat angles C4'-P-C4' energy: -114.262
flat angles P-C4'-P energy: -93.199
tors. eta vs tors. theta energy: -101.910
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: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1283.575915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.575915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.575915 (E_RNA)
where:
Base-Base interactions energy: -796.478
where: short stacking energy: -369.443
Base-Backbone interact. energy: -1.153
local terms energy: -485.944039
where:
bonds (distance) C4'-P energy: -109.823
bonds (distance) P-C4' energy: -119.348
flat angles C4'-P-C4' energy: -113.572
flat angles P-C4'-P energy: -68.998
tors. eta vs tors. theta energy: -74.202
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -855.889188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.889188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.889188 (E_RNA)
where:
Base-Base interactions energy: -464.435
where: short stacking energy: -275.439
Base-Backbone interact. energy: 5.396
local terms energy: -396.849871
where:
bonds (distance) C4'-P energy: -103.070
bonds (distance) P-C4' energy: -125.207
flat angles C4'-P-C4' energy: -82.845
flat angles P-C4'-P energy: -64.603
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -733.379512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.379512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.379512 (E_RNA)
where:
Base-Base interactions energy: -393.586
where: short stacking energy: -209.876
Base-Backbone interact. energy: -0.603
local terms energy: -339.190459
where:
bonds (distance) C4'-P energy: -112.920
bonds (distance) P-C4' energy: -113.678
flat angles C4'-P-C4' energy: -80.161
flat angles P-C4'-P energy: -42.291
tors. eta vs tors. theta energy: 9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2309.629074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.629074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.629074 (E_RNA)
where:
Base-Base interactions energy: -1600.539
where: short stacking energy: -690.508
Base-Backbone interact. energy: -3.132
local terms energy: -705.957899
where:
bonds (distance) C4'-P energy: -123.556
bonds (distance) P-C4' energy: -139.168
flat angles C4'-P-C4' energy: -143.331
flat angles P-C4'-P energy: -109.725
tors. eta vs tors. theta energy: -190.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2275.980350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.980350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.980350 (E_RNA)
where:
Base-Base interactions energy: -1594.748
where: short stacking energy: -644.056
Base-Backbone interact. energy: -2.949
local terms energy: -678.283266
where:
bonds (distance) C4'-P energy: -128.539
bonds (distance) P-C4' energy: -129.190
flat angles C4'-P-C4' energy: -140.682
flat angles P-C4'-P energy: -94.923
tors. eta vs tors. theta energy: -184.949
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: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2149.125454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.125454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.125454 (E_RNA)
where:
Base-Base interactions energy: -1490.667
where: short stacking energy: -604.795
Base-Backbone interact. energy: -2.867
local terms energy: -655.591778
where:
bonds (distance) C4'-P energy: -125.209
bonds (distance) P-C4' energy: -128.926
flat angles C4'-P-C4' energy: -141.891
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: -178.398
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: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2040.462904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.462904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.462904 (E_RNA)
where:
Base-Base interactions energy: -1397.498
where: short stacking energy: -635.171
Base-Backbone interact. energy: -0.539
local terms energy: -642.426324
where:
bonds (distance) C4'-P energy: -113.114
bonds (distance) P-C4' energy: -120.696
flat angles C4'-P-C4' energy: -133.135
flat angles P-C4'-P energy: -89.954
tors. eta vs tors. theta energy: -185.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1912.532816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.532816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.532816 (E_RNA)
where:
Base-Base interactions energy: -1301.632
where: short stacking energy: -533.582
Base-Backbone interact. energy: -2.556
local terms energy: -608.345332
where:
bonds (distance) C4'-P energy: -117.338
bonds (distance) P-C4' energy: -121.037
flat angles C4'-P-C4' energy: -132.079
flat angles P-C4'-P energy: -92.772
tors. eta vs tors. theta energy: -145.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1711.930415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.930415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.930415 (E_RNA)
where:
Base-Base interactions energy: -1185.666
where: short stacking energy: -488.004
Base-Backbone interact. energy: -2.963
local terms energy: -523.300494
where:
bonds (distance) C4'-P energy: -109.411
bonds (distance) P-C4' energy: -111.387
flat angles C4'-P-C4' energy: -120.091
flat angles P-C4'-P energy: -74.845
tors. eta vs tors. theta energy: -107.566
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1441.589895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.589895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.589895 (E_RNA)
where:
Base-Base interactions energy: -932.823
where: short stacking energy: -418.029
Base-Backbone interact. energy: -4.899
local terms energy: -503.868166
where:
bonds (distance) C4'-P energy: -112.381
bonds (distance) P-C4' energy: -117.718
flat angles C4'-P-C4' energy: -108.603
flat angles P-C4'-P energy: -75.346
tors. eta vs tors. theta energy: -89.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1278.498716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.498716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.498716 (E_RNA)
where:
Base-Base interactions energy: -849.574
where: short stacking energy: -383.577
Base-Backbone interact. energy: -0.976
local terms energy: -427.949116
where:
bonds (distance) C4'-P energy: -98.477
bonds (distance) P-C4' energy: -107.659
flat angles C4'-P-C4' energy: -102.109
flat angles P-C4'-P energy: -53.329
tors. eta vs tors. theta energy: -66.375
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: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -855.193342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.193342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.193342 (E_RNA)
where:
Base-Base interactions energy: -459.228
where: short stacking energy: -242.416
Base-Backbone interact. energy: -1.668
local terms energy: -394.296539
where:
bonds (distance) C4'-P energy: -93.508
bonds (distance) P-C4' energy: -101.901
flat angles C4'-P-C4' energy: -104.261
flat angles P-C4'-P energy: -71.689
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -703.164326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.164326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.164326 (E_RNA)
where:
Base-Base interactions energy: -341.433
where: short stacking energy: -198.428
Base-Backbone interact. energy: 1.237
local terms energy: -362.968172
where:
bonds (distance) C4'-P energy: -94.259
bonds (distance) P-C4' energy: -113.244
flat angles C4'-P-C4' energy: -104.515
flat angles P-C4'-P energy: -55.862
tors. eta vs tors. theta energy: 4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2311.508917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.508917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.508917 (E_RNA)
where:
Base-Base interactions energy: -1627.140
where: short stacking energy: -688.064
Base-Backbone interact. energy: -2.226
local terms energy: -682.143666
where:
bonds (distance) C4'-P energy: -115.479
bonds (distance) P-C4' energy: -134.602
flat angles C4'-P-C4' energy: -139.461
flat angles P-C4'-P energy: -101.097
tors. eta vs tors. theta energy: -191.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2257.300145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.300145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.300145 (E_RNA)
where:
Base-Base interactions energy: -1560.877
where: short stacking energy: -665.606
Base-Backbone interact. energy: -3.270
local terms energy: -693.153908
where:
bonds (distance) C4'-P energy: -131.650
bonds (distance) P-C4' energy: -136.379
flat angles C4'-P-C4' energy: -146.351
flat angles P-C4'-P energy: -94.731
tors. eta vs tors. theta energy: -184.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2130.942592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.942592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.942592 (E_RNA)
where:
Base-Base interactions energy: -1479.362
where: short stacking energy: -626.892
Base-Backbone interact. energy: -4.873
local terms energy: -646.707817
where:
bonds (distance) C4'-P energy: -123.730
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -142.948
flat angles P-C4'-P energy: -93.979
tors. eta vs tors. theta energy: -172.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2065.784375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.784375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.784375 (E_RNA)
where:
Base-Base interactions energy: -1377.957
where: short stacking energy: -601.150
Base-Backbone interact. energy: -2.892
local terms energy: -684.935420
where:
bonds (distance) C4'-P energy: -142.595
bonds (distance) P-C4' energy: -123.745
flat angles C4'-P-C4' energy: -141.870
flat angles P-C4'-P energy: -94.232
tors. eta vs tors. theta energy: -182.493
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: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1920.033005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.033005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.033005 (E_RNA)
where:
Base-Base interactions energy: -1318.286
where: short stacking energy: -556.328
Base-Backbone interact. energy: -3.182
local terms energy: -598.565001
where:
bonds (distance) C4'-P energy: -117.047
bonds (distance) P-C4' energy: -108.385
flat angles C4'-P-C4' energy: -146.891
flat angles P-C4'-P energy: -84.121
tors. eta vs tors. theta energy: -142.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1741.137043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.137043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.137043 (E_RNA)
where:
Base-Base interactions energy: -1186.504
where: short stacking energy: -510.831
Base-Backbone interact. energy: 0.011
local terms energy: -554.643896
where:
bonds (distance) C4'-P energy: -125.706
bonds (distance) P-C4' energy: -127.902
flat angles C4'-P-C4' energy: -102.912
flat angles P-C4'-P energy: -76.518
tors. eta vs tors. theta energy: -121.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1457.685849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.685849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.685849 (E_RNA)
where:
Base-Base interactions energy: -978.552
where: short stacking energy: -436.057
Base-Backbone interact. energy: -0.157
local terms energy: -478.977045
where:
bonds (distance) C4'-P energy: -93.234
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -115.261
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -95.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1250.643704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.643704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.643704 (E_RNA)
where:
Base-Base interactions energy: -783.201
where: short stacking energy: -374.646
Base-Backbone interact. energy: -3.191
local terms energy: -464.251744
where:
bonds (distance) C4'-P energy: -114.760
bonds (distance) P-C4' energy: -105.685
flat angles C4'-P-C4' energy: -119.161
flat angles P-C4'-P energy: -56.372
tors. eta vs tors. theta energy: -68.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -852.104696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.104696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.104696 (E_RNA)
where:
Base-Base interactions energy: -450.098
where: short stacking energy: -288.324
Base-Backbone interact. energy: -0.330
local terms energy: -401.677440
where:
bonds (distance) C4'-P energy: -113.819
bonds (distance) P-C4' energy: -113.818
flat angles C4'-P-C4' energy: -88.706
flat angles P-C4'-P energy: -58.342
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -702.424214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.424214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.424214 (E_RNA)
where:
Base-Base interactions energy: -362.583
where: short stacking energy: -227.833
Base-Backbone interact. energy: 10.376
local terms energy: -350.217534
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -102.500
flat angles C4'-P-C4' energy: -79.882
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2310.426165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.426165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.426165 (E_RNA)
where:
Base-Base interactions energy: -1591.235
where: short stacking energy: -697.509
Base-Backbone interact. energy: 1.217
local terms energy: -720.408631
where:
bonds (distance) C4'-P energy: -133.738
bonds (distance) P-C4' energy: -128.161
flat angles C4'-P-C4' energy: -156.686
flat angles P-C4'-P energy: -105.073
tors. eta vs tors. theta energy: -196.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2259.266282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.266282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.266282 (E_RNA)
where:
Base-Base interactions energy: -1566.195
where: short stacking energy: -632.410
Base-Backbone interact. energy: -1.440
local terms energy: -691.631116
where:
bonds (distance) C4'-P energy: -132.292
bonds (distance) P-C4' energy: -142.628
flat angles C4'-P-C4' energy: -141.600
flat angles P-C4'-P energy: -97.262
tors. eta vs tors. theta energy: -177.849
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: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2143.207435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.207435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.207435 (E_RNA)
where:
Base-Base interactions energy: -1484.126
where: short stacking energy: -630.894
Base-Backbone interact. energy: -3.771
local terms energy: -655.310670
where:
bonds (distance) C4'-P energy: -130.238
bonds (distance) P-C4' energy: -109.804
flat angles C4'-P-C4' energy: -142.949
flat angles P-C4'-P energy: -98.884
tors. eta vs tors. theta energy: -173.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2064.593412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.593412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.593412 (E_RNA)
where:
Base-Base interactions energy: -1418.661
where: short stacking energy: -629.713
Base-Backbone interact. energy: 0.010
local terms energy: -645.941878
where:
bonds (distance) C4'-P energy: -114.312
bonds (distance) P-C4' energy: -128.780
flat angles C4'-P-C4' energy: -124.396
flat angles P-C4'-P energy: -94.126
tors. eta vs tors. theta energy: -184.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1962.323465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.323465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.323465 (E_RNA)
where:
Base-Base interactions energy: -1346.739
where: short stacking energy: -590.611
Base-Backbone interact. energy: -0.538
local terms energy: -615.046524
where:
bonds (distance) C4'-P energy: -107.222
bonds (distance) P-C4' energy: -118.679
flat angles C4'-P-C4' energy: -126.873
flat angles P-C4'-P energy: -102.790
tors. eta vs tors. theta energy: -159.483
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: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1688.658080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.658080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.658080 (E_RNA)
where:
Base-Base interactions energy: -1152.679
where: short stacking energy: -487.821
Base-Backbone interact. energy: -1.929
local terms energy: -534.049846
where:
bonds (distance) C4'-P energy: -123.704
bonds (distance) P-C4' energy: -100.167
flat angles C4'-P-C4' energy: -120.553
flat angles P-C4'-P energy: -70.916
tors. eta vs tors. theta energy: -118.710
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: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1412.072448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.072448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.072448 (E_RNA)
where:
Base-Base interactions energy: -912.713
where: short stacking energy: -402.978
Base-Backbone interact. energy: -2.701
local terms energy: -496.657991
where:
bonds (distance) C4'-P energy: -99.618
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -114.552
flat angles P-C4'-P energy: -70.392
tors. eta vs tors. theta energy: -95.496
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: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1286.407209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.407209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.407209 (E_RNA)
where:
Base-Base interactions energy: -819.137
where: short stacking energy: -354.331
Base-Backbone interact. energy: 1.765
local terms energy: -469.034671
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -123.159
flat angles C4'-P-C4' energy: -119.326
flat angles P-C4'-P energy: -75.651
tors. eta vs tors. theta energy: -55.229
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: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -842.945625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.945625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.945625 (E_RNA)
where:
Base-Base interactions energy: -465.094
where: short stacking energy: -256.767
Base-Backbone interact. energy: 3.289
local terms energy: -381.141179
where:
bonds (distance) C4'-P energy: -94.206
bonds (distance) P-C4' energy: -119.355
flat angles C4'-P-C4' energy: -89.438
flat angles P-C4'-P energy: -65.652
tors. eta vs tors. theta energy: -12.491
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: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -710.381684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.381684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.381684 (E_RNA)
where:
Base-Base interactions energy: -345.128
where: short stacking energy: -209.182
Base-Backbone interact. energy: -0.786
local terms energy: -364.467167
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -112.510
flat angles C4'-P-C4' energy: -94.704
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2302.775213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.775213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.775213 (E_RNA)
where:
Base-Base interactions energy: -1570.630
where: short stacking energy: -681.083
Base-Backbone interact. energy: -2.877
local terms energy: -729.268206
where:
bonds (distance) C4'-P energy: -133.698
bonds (distance) P-C4' energy: -136.712
flat angles C4'-P-C4' energy: -147.454
flat angles P-C4'-P energy: -111.733
tors. eta vs tors. theta energy: -199.671
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: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2234.871442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.871442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.871442 (E_RNA)
where:
Base-Base interactions energy: -1554.002
where: short stacking energy: -619.084
Base-Backbone interact. energy: -2.866
local terms energy: -678.003380
where:
bonds (distance) C4'-P energy: -122.295
bonds (distance) P-C4' energy: -130.793
flat angles C4'-P-C4' energy: -150.102
flat angles P-C4'-P energy: -92.816
tors. eta vs tors. theta energy: -181.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2148.986668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.986668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.986668 (E_RNA)
where:
Base-Base interactions energy: -1490.034
where: short stacking energy: -613.238
Base-Backbone interact. energy: -2.553
local terms energy: -656.399212
where:
bonds (distance) C4'-P energy: -126.449
bonds (distance) P-C4' energy: -141.688
flat angles C4'-P-C4' energy: -131.957
flat angles P-C4'-P energy: -89.114
tors. eta vs tors. theta energy: -167.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2005.389188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.389188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.389188 (E_RNA)
where:
Base-Base interactions energy: -1373.667
where: short stacking energy: -596.121
Base-Backbone interact. energy: 1.525
local terms energy: -633.247470
where:
bonds (distance) C4'-P energy: -108.902
bonds (distance) P-C4' energy: -128.628
flat angles C4'-P-C4' energy: -141.400
flat angles P-C4'-P energy: -86.122
tors. eta vs tors. theta energy: -168.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1900.706360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.706360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.706360 (E_RNA)
where:
Base-Base interactions energy: -1312.402
where: short stacking energy: -556.005
Base-Backbone interact. energy: -4.542
local terms energy: -583.762799
where:
bonds (distance) C4'-P energy: -117.697
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -131.220
flat angles P-C4'-P energy: -65.215
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: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1709.514178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.514178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.514178 (E_RNA)
where:
Base-Base interactions energy: -1140.886
where: short stacking energy: -497.101
Base-Backbone interact. energy: -1.262
local terms energy: -567.366246
where:
bonds (distance) C4'-P energy: -122.721
bonds (distance) P-C4' energy: -100.323
flat angles C4'-P-C4' energy: -124.219
flat angles P-C4'-P energy: -90.661
tors. eta vs tors. theta energy: -129.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1423.063077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.063077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.063077 (E_RNA)
where:
Base-Base interactions energy: -899.591
where: short stacking energy: -412.661
Base-Backbone interact. energy: 1.292
local terms energy: -524.763952
where:
bonds (distance) C4'-P energy: -113.300
bonds (distance) P-C4' energy: -108.578
flat angles C4'-P-C4' energy: -130.064
flat angles P-C4'-P energy: -83.914
tors. eta vs tors. theta energy: -88.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1237.795513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.795513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.795513 (E_RNA)
where:
Base-Base interactions energy: -800.026
where: short stacking energy: -342.083
Base-Backbone interact. energy: -0.041
local terms energy: -437.728968
where:
bonds (distance) C4'-P energy: -95.572
bonds (distance) P-C4' energy: -114.116
flat angles C4'-P-C4' energy: -105.964
flat angles P-C4'-P energy: -66.115
tors. eta vs tors. theta energy: -55.962
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: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -811.303182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.303182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.303182 (E_RNA)
where:
Base-Base interactions energy: -431.993
where: short stacking energy: -246.544
Base-Backbone interact. energy: -0.667
local terms energy: -378.643531
where:
bonds (distance) C4'-P energy: -109.480
bonds (distance) P-C4' energy: -107.832
flat angles C4'-P-C4' energy: -77.207
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: -16.620
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: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -699.098758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.098758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.098758 (E_RNA)
where:
Base-Base interactions energy: -374.493
where: short stacking energy: -183.946
Base-Backbone interact. energy: 2.768
local terms energy: -327.374166
where:
bonds (distance) C4'-P energy: -91.154
bonds (distance) P-C4' energy: -93.311
flat angles C4'-P-C4' energy: -82.807
flat angles P-C4'-P energy: -71.922
tors. eta vs tors. theta energy: 11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2303.825155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.825155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.825155 (E_RNA)
where:
Base-Base interactions energy: -1583.215
where: short stacking energy: -696.219
Base-Backbone interact. energy: -1.910
local terms energy: -718.700323
where:
bonds (distance) C4'-P energy: -118.070
bonds (distance) P-C4' energy: -139.960
flat angles C4'-P-C4' energy: -161.784
flat angles P-C4'-P energy: -96.381
tors. eta vs tors. theta energy: -202.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2241.687709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.687709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.687709 (E_RNA)
where:
Base-Base interactions energy: -1564.191
where: short stacking energy: -647.589
Base-Backbone interact. energy: -5.056
local terms energy: -672.440498
where:
bonds (distance) C4'-P energy: -115.825
bonds (distance) P-C4' energy: -123.119
flat angles C4'-P-C4' energy: -142.231
flat angles P-C4'-P energy: -113.767
tors. eta vs tors. theta energy: -177.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2098.052260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.052260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.052260 (E_RNA)
where:
Base-Base interactions energy: -1442.040
where: short stacking energy: -603.422
Base-Backbone interact. energy: -5.845
local terms energy: -650.168199
where:
bonds (distance) C4'-P energy: -109.330
bonds (distance) P-C4' energy: -127.697
flat angles C4'-P-C4' energy: -150.405
flat angles P-C4'-P energy: -94.843
tors. eta vs tors. theta energy: -167.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1999.853320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.853320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.853320 (E_RNA)
where:
Base-Base interactions energy: -1374.606
where: short stacking energy: -581.234
Base-Backbone interact. energy: -0.370
local terms energy: -624.877317
where:
bonds (distance) C4'-P energy: -114.530
bonds (distance) P-C4' energy: -131.157
flat angles C4'-P-C4' energy: -134.246
flat angles P-C4'-P energy: -93.964
tors. eta vs tors. theta energy: -150.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1949.210260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.210260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.210260 (E_RNA)
where:
Base-Base interactions energy: -1331.254
where: short stacking energy: -581.509
Base-Backbone interact. energy: 4.563
local terms energy: -622.519239
where:
bonds (distance) C4'-P energy: -123.103
bonds (distance) P-C4' energy: -125.815
flat angles C4'-P-C4' energy: -126.468
flat angles P-C4'-P energy: -85.367
tors. eta vs tors. theta energy: -161.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1681.759484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.759484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.759484 (E_RNA)
where:
Base-Base interactions energy: -1125.905
where: short stacking energy: -493.590
Base-Backbone interact. energy: -0.936
local terms energy: -554.918344
where:
bonds (distance) C4'-P energy: -115.303
bonds (distance) P-C4' energy: -114.285
flat angles C4'-P-C4' energy: -118.077
flat angles P-C4'-P energy: -84.182
tors. eta vs tors. theta energy: -123.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1498.064786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.064786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.064786 (E_RNA)
where:
Base-Base interactions energy: -995.833
where: short stacking energy: -459.023
Base-Backbone interact. energy: 1.685
local terms energy: -503.917127
where:
bonds (distance) C4'-P energy: -107.435
bonds (distance) P-C4' energy: -114.265
flat angles C4'-P-C4' energy: -123.270
flat angles P-C4'-P energy: -59.186
tors. eta vs tors. theta energy: -99.762
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: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1167.779802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.779802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.779802 (E_RNA)
where:
Base-Base interactions energy: -724.971
where: short stacking energy: -343.934
Base-Backbone interact. energy: 2.499
local terms energy: -445.307391
where:
bonds (distance) C4'-P energy: -98.392
bonds (distance) P-C4' energy: -114.230
flat angles C4'-P-C4' energy: -103.288
flat angles P-C4'-P energy: -69.224
tors. eta vs tors. theta energy: -60.173
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: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -846.018871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.018871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.018871 (E_RNA)
where:
Base-Base interactions energy: -466.226
where: short stacking energy: -249.303
Base-Backbone interact. energy: 1.516
local terms energy: -381.309682
where:
bonds (distance) C4'-P energy: -96.025
bonds (distance) P-C4' energy: -98.596
flat angles C4'-P-C4' energy: -108.079
flat angles P-C4'-P energy: -61.576
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -593.270427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.270427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.270427 (E_RNA)
where:
Base-Base interactions energy: -251.712
where: short stacking energy: -178.503
Base-Backbone interact. energy: -2.732
local terms energy: -338.826998
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -108.267
flat angles C4'-P-C4' energy: -96.574
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: 9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2325.088813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.088813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.088813 (E_RNA)
where:
Base-Base interactions energy: -1605.644
where: short stacking energy: -692.055
Base-Backbone interact. energy: -2.109
local terms energy: -717.335578
where:
bonds (distance) C4'-P energy: -131.925
bonds (distance) P-C4' energy: -130.365
flat angles C4'-P-C4' energy: -151.744
flat angles P-C4'-P energy: -102.313
tors. eta vs tors. theta energy: -200.988
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2238.517540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.517540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.517540 (E_RNA)
where:
Base-Base interactions energy: -1561.000
where: short stacking energy: -618.997
Base-Backbone interact. energy: 3.178
local terms energy: -680.695595
where:
bonds (distance) C4'-P energy: -122.037
bonds (distance) P-C4' energy: -134.591
flat angles C4'-P-C4' energy: -143.549
flat angles P-C4'-P energy: -104.242
tors. eta vs tors. theta energy: -176.276
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: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2105.370212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.370212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.370212 (E_RNA)
where:
Base-Base interactions energy: -1471.759
where: short stacking energy: -642.440
Base-Backbone interact. energy: -4.389
local terms energy: -629.222020
where:
bonds (distance) C4'-P energy: -101.401
bonds (distance) P-C4' energy: -124.522
flat angles C4'-P-C4' energy: -140.066
flat angles P-C4'-P energy: -82.647
tors. eta vs tors. theta energy: -180.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1950.637024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.637024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.637024 (E_RNA)
where:
Base-Base interactions energy: -1351.499
where: short stacking energy: -583.642
Base-Backbone interact. energy: -3.047
local terms energy: -596.091338
where:
bonds (distance) C4'-P energy: -105.178
bonds (distance) P-C4' energy: -112.919
flat angles C4'-P-C4' energy: -140.603
flat angles P-C4'-P energy: -82.823
tors. eta vs tors. theta energy: -154.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1976.057929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.057929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.057929 (E_RNA)
where:
Base-Base interactions energy: -1371.648
where: short stacking energy: -597.016
Base-Backbone interact. energy: -1.444
local terms energy: -602.965785
where:
bonds (distance) C4'-P energy: -133.184
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -123.018
flat angles P-C4'-P energy: -81.047
tors. eta vs tors. theta energy: -162.014
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: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1620.054739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.054739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.054739 (E_RNA)
where:
Base-Base interactions energy: -1091.194
where: short stacking energy: -464.237
Base-Backbone interact. energy: -2.514
local terms energy: -526.347019
where:
bonds (distance) C4'-P energy: -109.142
bonds (distance) P-C4' energy: -102.578
flat angles C4'-P-C4' energy: -113.209
flat angles P-C4'-P energy: -86.164
tors. eta vs tors. theta energy: -115.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1474.558481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.558481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.558481 (E_RNA)
where:
Base-Base interactions energy: -955.424
where: short stacking energy: -428.265
Base-Backbone interact. energy: 2.603
local terms energy: -521.738328
where:
bonds (distance) C4'-P energy: -101.607
bonds (distance) P-C4' energy: -129.941
flat angles C4'-P-C4' energy: -113.121
flat angles P-C4'-P energy: -73.039
tors. eta vs tors. theta energy: -104.030
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: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1141.170258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.170258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.170258 (E_RNA)
where:
Base-Base interactions energy: -701.665
where: short stacking energy: -329.370
Base-Backbone interact. energy: -0.102
local terms energy: -439.403406
where:
bonds (distance) C4'-P energy: -117.018
bonds (distance) P-C4' energy: -120.174
flat angles C4'-P-C4' energy: -88.685
flat angles P-C4'-P energy: -66.505
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -902.190146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.190146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.190146 (E_RNA)
where:
Base-Base interactions energy: -510.768
where: short stacking energy: -288.747
Base-Backbone interact. energy: -0.080
local terms energy: -391.342172
where:
bonds (distance) C4'-P energy: -96.313
bonds (distance) P-C4' energy: -93.191
flat angles C4'-P-C4' energy: -107.590
flat angles P-C4'-P energy: -65.352
tors. eta vs tors. theta energy: -28.896
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: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -630.447133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.447133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.447133 (E_RNA)
where:
Base-Base interactions energy: -251.496
where: short stacking energy: -159.639
Base-Backbone interact. energy: 1.434
local terms energy: -380.385937
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -107.956
flat angles C4'-P-C4' energy: -98.508
flat angles P-C4'-P energy: -70.481
tors. eta vs tors. theta energy: 14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2306.881042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.881042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.881042 (E_RNA)
where:
Base-Base interactions energy: -1608.757
where: short stacking energy: -673.371
Base-Backbone interact. energy: -4.837
local terms energy: -693.286876
where:
bonds (distance) C4'-P energy: -122.492
bonds (distance) P-C4' energy: -122.428
flat angles C4'-P-C4' energy: -149.566
flat angles P-C4'-P energy: -106.008
tors. eta vs tors. theta energy: -192.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2222.294846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.294846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.294846 (E_RNA)
where:
Base-Base interactions energy: -1573.332
where: short stacking energy: -638.982
Base-Backbone interact. energy: -4.683
local terms energy: -644.280367
where:
bonds (distance) C4'-P energy: -109.475
bonds (distance) P-C4' energy: -126.905
flat angles C4'-P-C4' energy: -150.639
flat angles P-C4'-P energy: -77.673
tors. eta vs tors. theta energy: -179.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2126.877365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.877365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.877365 (E_RNA)
where:
Base-Base interactions energy: -1457.002
where: short stacking energy: -588.240
Base-Backbone interact. energy: -2.869
local terms energy: -667.006539
where:
bonds (distance) C4'-P energy: -137.139
bonds (distance) P-C4' energy: -133.372
flat angles C4'-P-C4' energy: -138.871
flat angles P-C4'-P energy: -84.719
tors. eta vs tors. theta energy: -172.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2015.547490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.547490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.547490 (E_RNA)
where:
Base-Base interactions energy: -1371.250
where: short stacking energy: -592.708
Base-Backbone interact. energy: 0.010
local terms energy: -644.308275
where:
bonds (distance) C4'-P energy: -133.541
bonds (distance) P-C4' energy: -112.451
flat angles C4'-P-C4' energy: -143.169
flat angles P-C4'-P energy: -81.750
tors. eta vs tors. theta energy: -173.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1925.162289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.162289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.162289 (E_RNA)
where:
Base-Base interactions energy: -1307.274
where: short stacking energy: -550.303
Base-Backbone interact. energy: 2.227
local terms energy: -620.115394
where:
bonds (distance) C4'-P energy: -123.859
bonds (distance) P-C4' energy: -129.992
flat angles C4'-P-C4' energy: -147.420
flat angles P-C4'-P energy: -68.810
tors. eta vs tors. theta energy: -150.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1668.356879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.356879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.356879 (E_RNA)
where:
Base-Base interactions energy: -1101.867
where: short stacking energy: -485.263
Base-Backbone interact. energy: 0.810
local terms energy: -567.300211
where:
bonds (distance) C4'-P energy: -107.445
bonds (distance) P-C4' energy: -132.626
flat angles C4'-P-C4' energy: -134.357
flat angles P-C4'-P energy: -85.067
tors. eta vs tors. theta energy: -107.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1556.995395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.995395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.995395 (E_RNA)
where:
Base-Base interactions energy: -986.059
where: short stacking energy: -458.763
Base-Backbone interact. energy: -4.195
local terms energy: -566.742177
where:
bonds (distance) C4'-P energy: -117.681
bonds (distance) P-C4' energy: -123.798
flat angles C4'-P-C4' energy: -117.975
flat angles P-C4'-P energy: -85.912
tors. eta vs tors. theta energy: -121.377
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: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1131.534069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.534069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.534069 (E_RNA)
where:
Base-Base interactions energy: -684.142
where: short stacking energy: -334.393
Base-Backbone interact. energy: 1.581
local terms energy: -448.972831
where:
bonds (distance) C4'-P energy: -108.595
bonds (distance) P-C4' energy: -107.799
flat angles C4'-P-C4' energy: -113.354
flat angles P-C4'-P energy: -79.651
tors. eta vs tors. theta energy: -39.573
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: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -853.087280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.087280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.087280 (E_RNA)
where:
Base-Base interactions energy: -452.189
where: short stacking energy: -248.759
Base-Backbone interact. energy: 5.231
local terms energy: -406.129007
where:
bonds (distance) C4'-P energy: -104.767
bonds (distance) P-C4' energy: -109.176
flat angles C4'-P-C4' energy: -113.328
flat angles P-C4'-P energy: -58.744
tors. eta vs tors. theta energy: -20.115
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -617.431268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.431268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.431268 (E_RNA)
where:
Base-Base interactions energy: -298.459
where: short stacking energy: -202.579
Base-Backbone interact. energy: 4.545
local terms energy: -323.517211
where:
bonds (distance) C4'-P energy: -102.245
bonds (distance) P-C4' energy: -109.867
flat angles C4'-P-C4' energy: -76.967
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: 21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2344.770585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.770585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.770585 (E_RNA)
where:
Base-Base interactions energy: -1635.969
where: short stacking energy: -700.621
Base-Backbone interact. energy: -2.953
local terms energy: -705.848880
where:
bonds (distance) C4'-P energy: -128.800
bonds (distance) P-C4' energy: -128.033
flat angles C4'-P-C4' energy: -147.391
flat angles P-C4'-P energy: -107.888
tors. eta vs tors. theta energy: -193.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2212.740388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.740388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.740388 (E_RNA)
where:
Base-Base interactions energy: -1529.620
where: short stacking energy: -627.247
Base-Backbone interact. energy: -0.225
local terms energy: -682.895106
where:
bonds (distance) C4'-P energy: -126.335
bonds (distance) P-C4' energy: -133.518
flat angles C4'-P-C4' energy: -150.870
flat angles P-C4'-P energy: -98.958
tors. eta vs tors. theta energy: -173.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2120.311810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.311810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.311810 (E_RNA)
where:
Base-Base interactions energy: -1461.096
where: short stacking energy: -600.195
Base-Backbone interact. energy: -0.394
local terms energy: -658.821907
where:
bonds (distance) C4'-P energy: -123.505
bonds (distance) P-C4' energy: -128.113
flat angles C4'-P-C4' energy: -150.603
flat angles P-C4'-P energy: -84.290
tors. eta vs tors. theta energy: -172.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2041.932981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.932981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.932981 (E_RNA)
where:
Base-Base interactions energy: -1394.909
where: short stacking energy: -604.167
Base-Backbone interact. energy: -1.565
local terms energy: -645.459372
where:
bonds (distance) C4'-P energy: -128.590
bonds (distance) P-C4' energy: -114.281
flat angles C4'-P-C4' energy: -130.586
flat angles P-C4'-P energy: -90.306
tors. eta vs tors. theta energy: -181.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1935.834977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.834977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.834977 (E_RNA)
where:
Base-Base interactions energy: -1315.160
where: short stacking energy: -571.135
Base-Backbone interact. energy: -2.170
local terms energy: -618.504625
where:
bonds (distance) C4'-P energy: -111.152
bonds (distance) P-C4' energy: -125.808
flat angles C4'-P-C4' energy: -130.232
flat angles P-C4'-P energy: -88.816
tors. eta vs tors. theta energy: -162.496
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: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1699.326936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.326936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.326936 (E_RNA)
where:
Base-Base interactions energy: -1116.572
where: short stacking energy: -505.141
Base-Backbone interact. energy: -0.731
local terms energy: -582.023041
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -122.751
flat angles C4'-P-C4' energy: -125.354
flat angles P-C4'-P energy: -88.981
tors. eta vs tors. theta energy: -127.134
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1542.279289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.279289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.279289 (E_RNA)
where:
Base-Base interactions energy: -1043.792
where: short stacking energy: -457.476
Base-Backbone interact. energy: -2.085
local terms energy: -496.402179
where:
bonds (distance) C4'-P energy: -114.941
bonds (distance) P-C4' energy: -84.653
flat angles C4'-P-C4' energy: -106.962
flat angles P-C4'-P energy: -80.539
tors. eta vs tors. theta energy: -109.307
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: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1149.468558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.468558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.468558 (E_RNA)
where:
Base-Base interactions energy: -697.607
where: short stacking energy: -316.305
Base-Backbone interact. energy: 4.420
local terms energy: -456.281292
where:
bonds (distance) C4'-P energy: -105.424
bonds (distance) P-C4' energy: -127.861
flat angles C4'-P-C4' energy: -105.756
flat angles P-C4'-P energy: -57.698
tors. eta vs tors. theta energy: -59.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -838.049898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.049898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.049898 (E_RNA)
where:
Base-Base interactions energy: -439.095
where: short stacking energy: -255.443
Base-Backbone interact. energy: -2.134
local terms energy: -396.820440
where:
bonds (distance) C4'-P energy: -91.994
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -96.637
flat angles P-C4'-P energy: -71.950
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -652.648501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.648501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.648501 (E_RNA)
where:
Base-Base interactions energy: -324.667
where: short stacking energy: -215.031
Base-Backbone interact. energy: 4.682
local terms energy: -332.663327
where:
bonds (distance) C4'-P energy: -98.152
bonds (distance) P-C4' energy: -88.349
flat angles C4'-P-C4' energy: -103.803
flat angles P-C4'-P energy: -38.516
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2316.086358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.086358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.086358 (E_RNA)
where:
Base-Base interactions energy: -1611.094
where: short stacking energy: -679.487
Base-Backbone interact. energy: -3.777
local terms energy: -701.215879
where:
bonds (distance) C4'-P energy: -134.552
bonds (distance) P-C4' energy: -131.189
flat angles C4'-P-C4' energy: -147.739
flat angles P-C4'-P energy: -105.592
tors. eta vs tors. theta energy: -182.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2247.722068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.722068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.722068 (E_RNA)
where:
Base-Base interactions energy: -1571.504
where: short stacking energy: -674.573
Base-Backbone interact. energy: -3.054
local terms energy: -673.163694
where:
bonds (distance) C4'-P energy: -131.768
bonds (distance) P-C4' energy: -125.215
flat angles C4'-P-C4' energy: -144.198
flat angles P-C4'-P energy: -94.265
tors. eta vs tors. theta energy: -177.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2172.306638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.306638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.306638 (E_RNA)
where:
Base-Base interactions energy: -1511.915
where: short stacking energy: -632.280
Base-Backbone interact. energy: -0.724
local terms energy: -659.668063
where:
bonds (distance) C4'-P energy: -126.217
bonds (distance) P-C4' energy: -133.338
flat angles C4'-P-C4' energy: -144.882
flat angles P-C4'-P energy: -85.380
tors. eta vs tors. theta energy: -169.851
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: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2078.099927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.099927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.099927 (E_RNA)
where:
Base-Base interactions energy: -1427.924
where: short stacking energy: -605.124
Base-Backbone interact. energy: -2.934
local terms energy: -647.242484
where:
bonds (distance) C4'-P energy: -116.552
bonds (distance) P-C4' energy: -128.443
flat angles C4'-P-C4' energy: -139.405
flat angles P-C4'-P energy: -72.944
tors. eta vs tors. theta energy: -189.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1932.520032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.520032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.520032 (E_RNA)
where:
Base-Base interactions energy: -1314.683
where: short stacking energy: -545.634
Base-Backbone interact. energy: -0.910
local terms energy: -616.927331
where:
bonds (distance) C4'-P energy: -114.982
bonds (distance) P-C4' energy: -127.977
flat angles C4'-P-C4' energy: -138.484
flat angles P-C4'-P energy: -86.101
tors. eta vs tors. theta energy: -149.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1685.169577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.169577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.169577 (E_RNA)
where:
Base-Base interactions energy: -1155.814
where: short stacking energy: -485.034
Base-Backbone interact. energy: 4.382
local terms energy: -533.736869
where:
bonds (distance) C4'-P energy: -117.615
bonds (distance) P-C4' energy: -103.701
flat angles C4'-P-C4' energy: -124.669
flat angles P-C4'-P energy: -77.989
tors. eta vs tors. theta energy: -109.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1549.101142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.101142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.101142 (E_RNA)
where:
Base-Base interactions energy: -1029.980
where: short stacking energy: -441.614
Base-Backbone interact. energy: 2.549
local terms energy: -521.670135
where:
bonds (distance) C4'-P energy: -115.241
bonds (distance) P-C4' energy: -123.285
flat angles C4'-P-C4' energy: -107.648
flat angles P-C4'-P energy: -66.002
tors. eta vs tors. theta energy: -109.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1192.396049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.396049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.396049 (E_RNA)
where:
Base-Base interactions energy: -751.524
where: short stacking energy: -336.006
Base-Backbone interact. energy: -2.902
local terms energy: -437.970412
where:
bonds (distance) C4'-P energy: -108.385
bonds (distance) P-C4' energy: -96.728
flat angles C4'-P-C4' energy: -103.997
flat angles P-C4'-P energy: -62.848
tors. eta vs tors. theta energy: -66.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -822.869624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.869624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.869624 (E_RNA)
where:
Base-Base interactions energy: -437.249
where: short stacking energy: -233.116
Base-Backbone interact. energy: -0.606
local terms energy: -385.015130
where:
bonds (distance) C4'-P energy: -87.219
bonds (distance) P-C4' energy: -102.496
flat angles C4'-P-C4' energy: -106.398
flat angles P-C4'-P energy: -83.767
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -688.722666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.722666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.722666 (E_RNA)
where:
Base-Base interactions energy: -341.161
where: short stacking energy: -223.092
Base-Backbone interact. energy: 0.798
local terms energy: -348.359646
where:
bonds (distance) C4'-P energy: -102.696
bonds (distance) P-C4' energy: -100.075
flat angles C4'-P-C4' energy: -84.914
flat angles P-C4'-P energy: -64.298
tors. eta vs tors. theta energy: 3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2321.509958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.509958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.509958 (E_RNA)
where:
Base-Base interactions energy: -1616.921
where: short stacking energy: -646.432
Base-Backbone interact. energy: -3.116
local terms energy: -701.472514
where:
bonds (distance) C4'-P energy: -136.256
bonds (distance) P-C4' energy: -131.074
flat angles C4'-P-C4' energy: -147.116
flat angles P-C4'-P energy: -101.713
tors. eta vs tors. theta energy: -185.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2273.898391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.898391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.898391 (E_RNA)
where:
Base-Base interactions energy: -1593.270
where: short stacking energy: -641.978
Base-Backbone interact. energy: -6.402
local terms energy: -674.226643
where:
bonds (distance) C4'-P energy: -134.786
bonds (distance) P-C4' energy: -116.474
flat angles C4'-P-C4' energy: -144.065
flat angles P-C4'-P energy: -97.504
tors. eta vs tors. theta energy: -181.397
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: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2164.954163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.954163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.954163 (E_RNA)
where:
Base-Base interactions energy: -1506.043
where: short stacking energy: -632.932
Base-Backbone interact. energy: -4.321
local terms energy: -654.590395
where:
bonds (distance) C4'-P energy: -123.604
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -140.849
flat angles P-C4'-P energy: -94.776
tors. eta vs tors. theta energy: -172.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2053.322094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.322094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.322094 (E_RNA)
where:
Base-Base interactions energy: -1368.948
where: short stacking energy: -574.015
Base-Backbone interact. energy: -4.100
local terms energy: -680.274784
where:
bonds (distance) C4'-P energy: -121.793
bonds (distance) P-C4' energy: -140.657
flat angles C4'-P-C4' energy: -142.830
flat angles P-C4'-P energy: -94.282
tors. eta vs tors. theta energy: -180.714
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: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1924.711247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.711247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.711247 (E_RNA)
where:
Base-Base interactions energy: -1314.825
where: short stacking energy: -543.667
Base-Backbone interact. energy: -1.154
local terms energy: -608.732721
where:
bonds (distance) C4'-P energy: -120.490
bonds (distance) P-C4' energy: -118.376
flat angles C4'-P-C4' energy: -132.747
flat angles P-C4'-P energy: -85.585
tors. eta vs tors. theta energy: -151.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1672.522410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.522410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.522410 (E_RNA)
where:
Base-Base interactions energy: -1152.192
where: short stacking energy: -500.503
Base-Backbone interact. energy: 1.893
local terms energy: -522.223318
where:
bonds (distance) C4'-P energy: -106.350
bonds (distance) P-C4' energy: -110.350
flat angles C4'-P-C4' energy: -123.482
flat angles P-C4'-P energy: -68.077
tors. eta vs tors. theta energy: -113.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1519.910166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.910166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.910166 (E_RNA)
where:
Base-Base interactions energy: -996.326
where: short stacking energy: -451.135
Base-Backbone interact. energy: -1.013
local terms energy: -522.571430
where:
bonds (distance) C4'-P energy: -105.927
bonds (distance) P-C4' energy: -106.654
flat angles C4'-P-C4' energy: -123.092
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -108.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1225.605953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.605953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.605953 (E_RNA)
where:
Base-Base interactions energy: -765.389
where: short stacking energy: -359.592
Base-Backbone interact. energy: 0.701
local terms energy: -460.918176
where:
bonds (distance) C4'-P energy: -102.199
bonds (distance) P-C4' energy: -102.586
flat angles C4'-P-C4' energy: -126.262
flat angles P-C4'-P energy: -70.290
tors. eta vs tors. theta energy: -59.581
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: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -802.917999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.917999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.917999 (E_RNA)
where:
Base-Base interactions energy: -454.811
where: short stacking energy: -239.647
Base-Backbone interact. energy: 4.614
local terms energy: -352.721177
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -101.322
flat angles C4'-P-C4' energy: -98.813
flat angles P-C4'-P energy: -51.050
tors. eta vs tors. theta energy: -5.468
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: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -672.125035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.125035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.125035 (E_RNA)
where:
Base-Base interactions energy: -290.921
where: short stacking energy: -203.840
Base-Backbone interact. energy: 1.640
local terms energy: -382.843330
where:
bonds (distance) C4'-P energy: -123.699
bonds (distance) P-C4' energy: -112.252
flat angles C4'-P-C4' energy: -97.192
flat angles P-C4'-P energy: -57.712
tors. eta vs tors. theta energy: 8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2310.413842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.413842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.413842 (E_RNA)
where:
Base-Base interactions energy: -1627.616
where: short stacking energy: -690.539
Base-Backbone interact. energy: -3.095
local terms energy: -679.703058
where:
bonds (distance) C4'-P energy: -117.874
bonds (distance) P-C4' energy: -143.442
flat angles C4'-P-C4' energy: -147.571
flat angles P-C4'-P energy: -83.700
tors. eta vs tors. theta energy: -187.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2268.705754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.705754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.705754 (E_RNA)
where:
Base-Base interactions energy: -1582.842
where: short stacking energy: -631.853
Base-Backbone interact. energy: -5.675
local terms energy: -680.188628
where:
bonds (distance) C4'-P energy: -129.462
bonds (distance) P-C4' energy: -140.079
flat angles C4'-P-C4' energy: -146.377
flat angles P-C4'-P energy: -89.333
tors. eta vs tors. theta energy: -174.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2132.969785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.969785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.969785 (E_RNA)
where:
Base-Base interactions energy: -1491.013
where: short stacking energy: -629.852
Base-Backbone interact. energy: -2.164
local terms energy: -639.792434
where:
bonds (distance) C4'-P energy: -120.974
bonds (distance) P-C4' energy: -120.583
flat angles C4'-P-C4' energy: -144.344
flat angles P-C4'-P energy: -82.413
tors. eta vs tors. theta energy: -171.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2050.349603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.349603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.349603 (E_RNA)
where:
Base-Base interactions energy: -1383.510
where: short stacking energy: -618.266
Base-Backbone interact. energy: -3.894
local terms energy: -662.944787
where:
bonds (distance) C4'-P energy: -116.487
bonds (distance) P-C4' energy: -130.958
flat angles C4'-P-C4' energy: -141.208
flat angles P-C4'-P energy: -106.169
tors. eta vs tors. theta energy: -168.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1937.801957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.801957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.801957 (E_RNA)
where:
Base-Base interactions energy: -1332.919
where: short stacking energy: -545.451
Base-Backbone interact. energy: 2.235
local terms energy: -607.117474
where:
bonds (distance) C4'-P energy: -105.812
bonds (distance) P-C4' energy: -122.790
flat angles C4'-P-C4' energy: -140.467
flat angles P-C4'-P energy: -85.275
tors. eta vs tors. theta energy: -152.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1671.438080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.438080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.438080 (E_RNA)
where:
Base-Base interactions energy: -1150.261
where: short stacking energy: -486.326
Base-Backbone interact. energy: -4.429
local terms energy: -516.748345
where:
bonds (distance) C4'-P energy: -113.787
bonds (distance) P-C4' energy: -89.931
flat angles C4'-P-C4' energy: -123.053
flat angles P-C4'-P energy: -90.671
tors. eta vs tors. theta energy: -99.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1536.933039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.933039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.933039 (E_RNA)
where:
Base-Base interactions energy: -994.883
where: short stacking energy: -438.619
Base-Backbone interact. energy: 2.386
local terms energy: -544.436699
where:
bonds (distance) C4'-P energy: -109.708
bonds (distance) P-C4' energy: -125.172
flat angles C4'-P-C4' energy: -117.625
flat angles P-C4'-P energy: -80.894
tors. eta vs tors. theta energy: -111.038
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: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1207.737732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.737732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.737732 (E_RNA)
where:
Base-Base interactions energy: -735.997
where: short stacking energy: -374.282
Base-Backbone interact. energy: -1.876
local terms energy: -469.863909
where:
bonds (distance) C4'-P energy: -111.476
bonds (distance) P-C4' energy: -106.276
flat angles C4'-P-C4' energy: -116.180
flat angles P-C4'-P energy: -62.050
tors. eta vs tors. theta energy: -73.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -830.334709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.334709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.334709 (E_RNA)
where:
Base-Base interactions energy: -429.161
where: short stacking energy: -239.535
Base-Backbone interact. energy: 1.922
local terms energy: -403.095398
where:
bonds (distance) C4'-P energy: -129.630
bonds (distance) P-C4' energy: -103.286
flat angles C4'-P-C4' energy: -106.078
flat angles P-C4'-P energy: -56.530
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -641.922958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.922958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.922958 (E_RNA)
where:
Base-Base interactions energy: -283.995
where: short stacking energy: -182.079
Base-Backbone interact. energy: 1.795
local terms energy: -359.722613
where:
bonds (distance) C4'-P energy: -93.623
bonds (distance) P-C4' energy: -139.145
flat angles C4'-P-C4' energy: -86.907
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: 8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2317.179698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.179698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.179698 (E_RNA)
where:
Base-Base interactions energy: -1592.909
where: short stacking energy: -702.427
Base-Backbone interact. energy: -5.516
local terms energy: -718.754365
where:
bonds (distance) C4'-P energy: -138.160
bonds (distance) P-C4' energy: -145.098
flat angles C4'-P-C4' energy: -141.315
flat angles P-C4'-P energy: -95.356
tors. eta vs tors. theta energy: -198.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2277.790023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.790023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.790023 (E_RNA)
where:
Base-Base interactions energy: -1588.571
where: short stacking energy: -650.212
Base-Backbone interact. energy: -1.536
local terms energy: -687.683085
where:
bonds (distance) C4'-P energy: -131.466
bonds (distance) P-C4' energy: -125.444
flat angles C4'-P-C4' energy: -149.318
flat angles P-C4'-P energy: -107.681
tors. eta vs tors. theta energy: -173.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2123.293221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.293221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.293221 (E_RNA)
where:
Base-Base interactions energy: -1476.300
where: short stacking energy: -604.425
Base-Backbone interact. energy: -2.712
local terms energy: -644.281863
where:
bonds (distance) C4'-P energy: -128.670
bonds (distance) P-C4' energy: -124.124
flat angles C4'-P-C4' energy: -140.686
flat angles P-C4'-P energy: -81.615
tors. eta vs tors. theta energy: -169.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2084.141369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.141369 (E_RNA)
where:
Base-Base interactions energy: -1435.672
where: short stacking energy: -617.177
Base-Backbone interact. energy: -3.920
local terms energy: -644.549104
where:
bonds (distance) C4'-P energy: -128.863
bonds (distance) P-C4' energy: -114.887
flat angles C4'-P-C4' energy: -148.190
flat angles P-C4'-P energy: -81.630
tors. eta vs tors. theta energy: -170.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1956.926598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.926598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.926598 (E_RNA)
where:
Base-Base interactions energy: -1398.351
where: short stacking energy: -559.729
Base-Backbone interact. energy: 6.105
local terms energy: -564.680301
where:
bonds (distance) C4'-P energy: -107.507
bonds (distance) P-C4' energy: -108.509
flat angles C4'-P-C4' energy: -129.578
flat angles P-C4'-P energy: -65.304
tors. eta vs tors. theta energy: -153.782
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1734.333436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.333436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.333436 (E_RNA)
where:
Base-Base interactions energy: -1160.352
where: short stacking energy: -504.312
Base-Backbone interact. energy: -2.828
local terms energy: -571.153389
where:
bonds (distance) C4'-P energy: -114.507
bonds (distance) P-C4' energy: -123.983
flat angles C4'-P-C4' energy: -136.426
flat angles P-C4'-P energy: -79.562
tors. eta vs tors. theta energy: -116.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1521.226028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.226028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.226028 (E_RNA)
where:
Base-Base interactions energy: -1007.173
where: short stacking energy: -461.724
Base-Backbone interact. energy: -2.731
local terms energy: -511.321347
where:
bonds (distance) C4'-P energy: -101.090
bonds (distance) P-C4' energy: -110.357
flat angles C4'-P-C4' energy: -122.927
flat angles P-C4'-P energy: -75.439
tors. eta vs tors. theta energy: -101.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1133.399979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.399979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.399979 (E_RNA)
where:
Base-Base interactions energy: -685.820
where: short stacking energy: -315.433
Base-Backbone interact. energy: -1.894
local terms energy: -445.686239
where:
bonds (distance) C4'-P energy: -108.318
bonds (distance) P-C4' energy: -118.252
flat angles C4'-P-C4' energy: -114.884
flat angles P-C4'-P energy: -61.164
tors. eta vs tors. theta energy: -43.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -866.959886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.959886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.959886 (E_RNA)
where:
Base-Base interactions energy: -465.402
where: short stacking energy: -245.774
Base-Backbone interact. energy: -1.057
local terms energy: -400.501760
where:
bonds (distance) C4'-P energy: -92.403
bonds (distance) P-C4' energy: -113.637
flat angles C4'-P-C4' energy: -100.230
flat angles P-C4'-P energy: -61.009
tors. eta vs tors. theta energy: -33.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -652.659683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.659683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.659683 (E_RNA)
where:
Base-Base interactions energy: -314.277
where: short stacking energy: -207.480
Base-Backbone interact. energy: 2.404
local terms energy: -340.786467
where:
bonds (distance) C4'-P energy: -114.674
bonds (distance) P-C4' energy: -98.306
flat angles C4'-P-C4' energy: -91.302
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2329.773312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.773312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.773312 (E_RNA)
where:
Base-Base interactions energy: -1602.798
where: short stacking energy: -691.958
Base-Backbone interact. energy: -1.645
local terms energy: -725.330047
where:
bonds (distance) C4'-P energy: -132.737
bonds (distance) P-C4' energy: -144.300
flat angles C4'-P-C4' energy: -156.800
flat angles P-C4'-P energy: -88.508
tors. eta vs tors. theta energy: -202.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2282.657377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.657377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.657377 (E_RNA)
where:
Base-Base interactions energy: -1602.676
where: short stacking energy: -663.424
Base-Backbone interact. energy: -2.582
local terms energy: -677.399177
where:
bonds (distance) C4'-P energy: -137.172
bonds (distance) P-C4' energy: -124.519
flat angles C4'-P-C4' energy: -142.226
flat angles P-C4'-P energy: -94.388
tors. eta vs tors. theta energy: -179.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2108.362354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.362354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.362354 (E_RNA)
where:
Base-Base interactions energy: -1481.588
where: short stacking energy: -625.178
Base-Backbone interact. energy: 0.031
local terms energy: -626.805008
where:
bonds (distance) C4'-P energy: -123.712
bonds (distance) P-C4' energy: -131.736
flat angles C4'-P-C4' energy: -140.928
flat angles P-C4'-P energy: -67.352
tors. eta vs tors. theta energy: -163.077
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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2054.710202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.710202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.710202 (E_RNA)
where:
Base-Base interactions energy: -1417.611
where: short stacking energy: -627.133
Base-Backbone interact. energy: -1.466
local terms energy: -635.633284
where:
bonds (distance) C4'-P energy: -131.793
bonds (distance) P-C4' energy: -121.187
flat angles C4'-P-C4' energy: -120.790
flat angles P-C4'-P energy: -89.994
tors. eta vs tors. theta energy: -171.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1920.947478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.947478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.947478 (E_RNA)
where:
Base-Base interactions energy: -1329.157
where: short stacking energy: -593.299
Base-Backbone interact. energy: -0.383
local terms energy: -591.407562
where:
bonds (distance) C4'-P energy: -126.037
bonds (distance) P-C4' energy: -93.830
flat angles C4'-P-C4' energy: -141.380
flat angles P-C4'-P energy: -70.659
tors. eta vs tors. theta energy: -159.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1666.969530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.969530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.969530 (E_RNA)
where:
Base-Base interactions energy: -1114.627
where: short stacking energy: -500.219
Base-Backbone interact. energy: -1.919
local terms energy: -550.424103
where:
bonds (distance) C4'-P energy: -110.943
bonds (distance) P-C4' energy: -120.463
flat angles C4'-P-C4' energy: -121.071
flat angles P-C4'-P energy: -75.272
tors. eta vs tors. theta energy: -122.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1497.213246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.213246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.213246 (E_RNA)
where:
Base-Base interactions energy: -979.177
where: short stacking energy: -417.888
Base-Backbone interact. energy: 2.072
local terms energy: -520.108683
where:
bonds (distance) C4'-P energy: -117.716
bonds (distance) P-C4' energy: -128.224
flat angles C4'-P-C4' energy: -111.260
flat angles P-C4'-P energy: -69.419
tors. eta vs tors. theta energy: -93.490
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: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1084.612311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.612311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.612311 (E_RNA)
where:
Base-Base interactions energy: -649.181
where: short stacking energy: -294.275
Base-Backbone interact. energy: -0.699
local terms energy: -434.732079
where:
bonds (distance) C4'-P energy: -117.741
bonds (distance) P-C4' energy: -109.241
flat angles C4'-P-C4' energy: -94.983
flat angles P-C4'-P energy: -66.092
tors. eta vs tors. theta energy: -46.675
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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -901.950930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.950930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.950930 (E_RNA)
where:
Base-Base interactions energy: -516.557
where: short stacking energy: -266.083
Base-Backbone interact. energy: 2.769
local terms energy: -388.162475
where:
bonds (distance) C4'-P energy: -107.559
bonds (distance) P-C4' energy: -116.147
flat angles C4'-P-C4' energy: -81.715
flat angles P-C4'-P energy: -57.898
tors. eta vs tors. theta energy: -24.843
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: 10, replica: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -630.734347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.734347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.734347 (E_RNA)
where:
Base-Base interactions energy: -273.528
where: short stacking energy: -160.790
Base-Backbone interact. energy: 3.931
local terms energy: -361.137540
where:
bonds (distance) C4'-P energy: -117.299
bonds (distance) P-C4' energy: -105.817
flat angles C4'-P-C4' energy: -107.585
flat angles P-C4'-P energy: -61.553
tors. eta vs tors. theta energy: 31.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2312.013054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.013054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.013054 (E_RNA)
where:
Base-Base interactions energy: -1619.673
where: short stacking energy: -687.984
Base-Backbone interact. energy: -3.230
local terms energy: -689.109969
where:
bonds (distance) C4'-P energy: -131.153
bonds (distance) P-C4' energy: -121.362
flat angles C4'-P-C4' energy: -148.020
flat angles P-C4'-P energy: -102.141
tors. eta vs tors. theta energy: -186.434
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: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2258.059518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.059518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.059518 (E_RNA)
where:
Base-Base interactions energy: -1597.294
where: short stacking energy: -609.498
Base-Backbone interact. energy: -1.426
local terms energy: -659.339912
where:
bonds (distance) C4'-P energy: -117.837
bonds (distance) P-C4' energy: -124.990
flat angles C4'-P-C4' energy: -147.320
flat angles P-C4'-P energy: -102.040
tors. eta vs tors. theta energy: -167.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2093.756015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.756015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.756015 (E_RNA)
where:
Base-Base interactions energy: -1441.446
where: short stacking energy: -597.589
Base-Backbone interact. energy: -6.389
local terms energy: -645.920847
where:
bonds (distance) C4'-P energy: -101.239
bonds (distance) P-C4' energy: -131.043
flat angles C4'-P-C4' energy: -144.790
flat angles P-C4'-P energy: -103.898
tors. eta vs tors. theta energy: -164.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2043.855692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.855692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.855692 (E_RNA)
where:
Base-Base interactions energy: -1385.825
where: short stacking energy: -586.567
Base-Backbone interact. energy: -1.724
local terms energy: -656.306551
where:
bonds (distance) C4'-P energy: -123.147
bonds (distance) P-C4' energy: -124.857
flat angles C4'-P-C4' energy: -133.824
flat angles P-C4'-P energy: -101.876
tors. eta vs tors. theta energy: -172.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1988.397022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.397022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.397022 (E_RNA)
where:
Base-Base interactions energy: -1362.530
where: short stacking energy: -595.040
Base-Backbone interact. energy: 3.476
local terms energy: -629.342933
where:
bonds (distance) C4'-P energy: -105.857
bonds (distance) P-C4' energy: -131.161
flat angles C4'-P-C4' energy: -140.510
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -170.721
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: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1649.314892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.314892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.314892 (E_RNA)
where:
Base-Base interactions energy: -1123.664
where: short stacking energy: -480.735
Base-Backbone interact. energy: -2.543
local terms energy: -523.107895
where:
bonds (distance) C4'-P energy: -105.072
bonds (distance) P-C4' energy: -115.049
flat angles C4'-P-C4' energy: -131.510
flat angles P-C4'-P energy: -68.332
tors. eta vs tors. theta energy: -103.145
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1486.425199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.425199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.425199 (E_RNA)
where:
Base-Base interactions energy: -959.516
where: short stacking energy: -449.331
Base-Backbone interact. energy: -2.178
local terms energy: -524.732021
where:
bonds (distance) C4'-P energy: -120.888
bonds (distance) P-C4' energy: -115.797
flat angles C4'-P-C4' energy: -125.121
flat angles P-C4'-P energy: -61.734
tors. eta vs tors. theta energy: -101.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1041.039708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.039708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.039708 (E_RNA)
where:
Base-Base interactions energy: -600.897
where: short stacking energy: -318.687
Base-Backbone interact. energy: -1.615
local terms energy: -438.527168
where:
bonds (distance) C4'-P energy: -90.833
bonds (distance) P-C4' energy: -111.602
flat angles C4'-P-C4' energy: -115.530
flat angles P-C4'-P energy: -77.781
tors. eta vs tors. theta energy: -42.781
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: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -926.390868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.390868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.390868 (E_RNA)
where:
Base-Base interactions energy: -508.960
where: short stacking energy: -293.340
Base-Backbone interact. energy: 2.966
local terms energy: -420.397242
where:
bonds (distance) C4'-P energy: -128.577
bonds (distance) P-C4' energy: -108.789
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -32.715
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: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -610.876434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.876434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.876434 (E_RNA)
where:
Base-Base interactions energy: -264.437
where: short stacking energy: -169.116
Base-Backbone interact. energy: -0.635
local terms energy: -345.804297
where:
bonds (distance) C4'-P energy: -102.710
bonds (distance) P-C4' energy: -113.399
flat angles C4'-P-C4' energy: -95.978
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: 15.986
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: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2304.306917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.306917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.306917 (E_RNA)
where:
Base-Base interactions energy: -1574.616
where: short stacking energy: -675.911
Base-Backbone interact. energy: -0.873
local terms energy: -728.817442
where:
bonds (distance) C4'-P energy: -138.033
bonds (distance) P-C4' energy: -142.422
flat angles C4'-P-C4' energy: -138.298
flat angles P-C4'-P energy: -116.189
tors. eta vs tors. theta energy: -193.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2264.719359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.719359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.719359 (E_RNA)
where:
Base-Base interactions energy: -1620.214
where: short stacking energy: -639.012
Base-Backbone interact. energy: -4.610
local terms energy: -639.895693
where:
bonds (distance) C4'-P energy: -112.276
bonds (distance) P-C4' energy: -125.459
flat angles C4'-P-C4' energy: -128.904
flat angles P-C4'-P energy: -92.149
tors. eta vs tors. theta energy: -181.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2132.959004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.959004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.959004 (E_RNA)
where:
Base-Base interactions energy: -1481.869
where: short stacking energy: -597.968
Base-Backbone interact. energy: -0.529
local terms energy: -650.560767
where:
bonds (distance) C4'-P energy: -113.828
bonds (distance) P-C4' energy: -133.299
flat angles C4'-P-C4' energy: -137.799
flat angles P-C4'-P energy: -101.105
tors. eta vs tors. theta energy: -164.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2073.976649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.976649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.976649 (E_RNA)
where:
Base-Base interactions energy: -1454.858
where: short stacking energy: -608.704
Base-Backbone interact. energy: -3.718
local terms energy: -615.400523
where:
bonds (distance) C4'-P energy: -108.306
bonds (distance) P-C4' energy: -124.268
flat angles C4'-P-C4' energy: -140.878
flat angles P-C4'-P energy: -71.586
tors. eta vs tors. theta energy: -170.362
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: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1937.222861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.222861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.222861 (E_RNA)
where:
Base-Base interactions energy: -1309.981
where: short stacking energy: -563.407
Base-Backbone interact. energy: -1.637
local terms energy: -625.605478
where:
bonds (distance) C4'-P energy: -124.562
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -132.500
flat angles P-C4'-P energy: -98.137
tors. eta vs tors. theta energy: -145.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1626.913272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.913272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.913272 (E_RNA)
where:
Base-Base interactions energy: -1092.676
where: short stacking energy: -460.147
Base-Backbone interact. energy: -0.297
local terms energy: -533.939966
where:
bonds (distance) C4'-P energy: -109.417
bonds (distance) P-C4' energy: -120.849
flat angles C4'-P-C4' energy: -108.164
flat angles P-C4'-P energy: -81.589
tors. eta vs tors. theta energy: -113.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1412.548657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.548657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.548657 (E_RNA)
where:
Base-Base interactions energy: -905.199
where: short stacking energy: -415.220
Base-Backbone interact. energy: -0.705
local terms energy: -506.644652
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -125.050
flat angles C4'-P-C4' energy: -116.180
flat angles P-C4'-P energy: -73.267
tors. eta vs tors. theta energy: -84.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1160.382211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.382211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.382211 (E_RNA)
where:
Base-Base interactions energy: -677.062
where: short stacking energy: -348.376
Base-Backbone interact. energy: 0.054
local terms energy: -483.373369
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -123.365
flat angles C4'-P-C4' energy: -124.538
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -52.139
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: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -860.385734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.385734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.385734 (E_RNA)
where:
Base-Base interactions energy: -452.673
where: short stacking energy: -266.857
Base-Backbone interact. energy: -2.742
local terms energy: -404.970696
where:
bonds (distance) C4'-P energy: -127.443
bonds (distance) P-C4' energy: -93.040
flat angles C4'-P-C4' energy: -92.246
flat angles P-C4'-P energy: -60.773
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -649.590585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.590585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.590585 (E_RNA)
where:
Base-Base interactions energy: -276.620
where: short stacking energy: -174.339
Base-Backbone interact. energy: 3.837
local terms energy: -376.807453
where:
bonds (distance) C4'-P energy: -99.835
bonds (distance) P-C4' energy: -130.385
flat angles C4'-P-C4' energy: -91.239
flat angles P-C4'-P energy: -55.223
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2309.156591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.156591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.156591 (E_RNA)
where:
Base-Base interactions energy: -1587.322
where: short stacking energy: -687.165
Base-Backbone interact. energy: -3.759
local terms energy: -718.075610
where:
bonds (distance) C4'-P energy: -125.156
bonds (distance) P-C4' energy: -135.785
flat angles C4'-P-C4' energy: -156.952
flat angles P-C4'-P energy: -104.185
tors. eta vs tors. theta energy: -195.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2294.973579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.973579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.973579 (E_RNA)
where:
Base-Base interactions energy: -1616.831
where: short stacking energy: -626.721
Base-Backbone interact. energy: -2.565
local terms energy: -675.577316
where:
bonds (distance) C4'-P energy: -128.749
bonds (distance) P-C4' energy: -128.541
flat angles C4'-P-C4' energy: -141.064
flat angles P-C4'-P energy: -101.311
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: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2163.587792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.587792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.587792 (E_RNA)
where:
Base-Base interactions energy: -1496.110
where: short stacking energy: -619.334
Base-Backbone interact. energy: 3.333
local terms energy: -670.810946
where:
bonds (distance) C4'-P energy: -132.793
bonds (distance) P-C4' energy: -130.692
flat angles C4'-P-C4' energy: -149.053
flat angles P-C4'-P energy: -99.413
tors. eta vs tors. theta energy: -158.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2074.350006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.350006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.350006 (E_RNA)
where:
Base-Base interactions energy: -1414.797
where: short stacking energy: -573.553
Base-Backbone interact. energy: -5.124
local terms energy: -654.428832
where:
bonds (distance) C4'-P energy: -126.369
bonds (distance) P-C4' energy: -119.407
flat angles C4'-P-C4' energy: -144.372
flat angles P-C4'-P energy: -84.069
tors. eta vs tors. theta energy: -180.212
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: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1947.999132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.999132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.999132 (E_RNA)
where:
Base-Base interactions energy: -1346.948
where: short stacking energy: -601.290
Base-Backbone interact. energy: -2.997
local terms energy: -598.054477
where:
bonds (distance) C4'-P energy: -105.594
bonds (distance) P-C4' energy: -127.576
flat angles C4'-P-C4' energy: -123.003
flat angles P-C4'-P energy: -77.006
tors. eta vs tors. theta energy: -164.876
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: 288
Temperature: 1.150000
Total energy: -1676.356703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.356703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.356703 (E_RNA)
where:
Base-Base interactions energy: -1165.981
where: short stacking energy: -500.692
Base-Backbone interact. energy: 0.676
local terms energy: -511.051598
where:
bonds (distance) C4'-P energy: -87.527
bonds (distance) P-C4' energy: -108.918
flat angles C4'-P-C4' energy: -130.213
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -114.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1465.983636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.983636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.983636 (E_RNA)
where:
Base-Base interactions energy: -944.113
where: short stacking energy: -427.470
Base-Backbone interact. energy: 5.294
local terms energy: -527.164116
where:
bonds (distance) C4'-P energy: -105.772
bonds (distance) P-C4' energy: -128.356
flat angles C4'-P-C4' energy: -129.827
flat angles P-C4'-P energy: -61.216
tors. eta vs tors. theta energy: -101.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1095.702963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.702963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.702963 (E_RNA)
where:
Base-Base interactions energy: -664.269
where: short stacking energy: -330.815
Base-Backbone interact. energy: 3.285
local terms energy: -434.718992
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -117.069
flat angles C4'-P-C4' energy: -96.334
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -49.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -838.461958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.461958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.461958 (E_RNA)
where:
Base-Base interactions energy: -465.569
where: short stacking energy: -264.696
Base-Backbone interact. energy: -0.950
local terms energy: -371.943055
where:
bonds (distance) C4'-P energy: -98.726
bonds (distance) P-C4' energy: -101.554
flat angles C4'-P-C4' energy: -120.738
flat angles P-C4'-P energy: -30.791
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -698.105976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.105976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.105976 (E_RNA)
where:
Base-Base interactions energy: -358.086
where: short stacking energy: -202.297
Base-Backbone interact. energy: -1.263
local terms energy: -338.756782
where:
bonds (distance) C4'-P energy: -103.666
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -106.048
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: 5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2317.543326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.543326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.543326 (E_RNA)
where:
Base-Base interactions energy: -1586.377
where: short stacking energy: -690.619
Base-Backbone interact. energy: 1.236
local terms energy: -732.402610
where:
bonds (distance) C4'-P energy: -138.438
bonds (distance) P-C4' energy: -130.569
flat angles C4'-P-C4' energy: -162.300
flat angles P-C4'-P energy: -106.316
tors. eta vs tors. theta energy: -194.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2274.345515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.345515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.345515 (E_RNA)
where:
Base-Base interactions energy: -1589.636
where: short stacking energy: -646.344
Base-Backbone interact. energy: -3.273
local terms energy: -681.435795
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -132.351
flat angles C4'-P-C4' energy: -141.043
flat angles P-C4'-P energy: -93.133
tors. eta vs tors. theta energy: -182.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2106.514081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.514081 (E_RNA)
where:
Base-Base interactions energy: -1473.173
where: short stacking energy: -623.796
Base-Backbone interact. energy: -3.699
local terms energy: -629.641650
where:
bonds (distance) C4'-P energy: -121.653
bonds (distance) P-C4' energy: -114.368
flat angles C4'-P-C4' energy: -141.454
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -158.005
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: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2066.759658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.759658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.759658 (E_RNA)
where:
Base-Base interactions energy: -1410.619
where: short stacking energy: -590.428
Base-Backbone interact. energy: -4.069
local terms energy: -652.071649
where:
bonds (distance) C4'-P energy: -116.652
bonds (distance) P-C4' energy: -123.513
flat angles C4'-P-C4' energy: -143.621
flat angles P-C4'-P energy: -104.098
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: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1925.178077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.178077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.178077 (E_RNA)
where:
Base-Base interactions energy: -1311.420
where: short stacking energy: -576.229
Base-Backbone interact. energy: -1.918
local terms energy: -611.839812
where:
bonds (distance) C4'-P energy: -117.675
bonds (distance) P-C4' energy: -116.427
flat angles C4'-P-C4' energy: -135.626
flat angles P-C4'-P energy: -76.080
tors. eta vs tors. theta energy: -166.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1699.636066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.636066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.636066 (E_RNA)
where:
Base-Base interactions energy: -1147.961
where: short stacking energy: -476.098
Base-Backbone interact. energy: -1.085
local terms energy: -550.590047
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -127.727
flat angles C4'-P-C4' energy: -129.765
flat angles P-C4'-P energy: -86.558
tors. eta vs tors. theta energy: -121.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1506.452259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.452259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.452259 (E_RNA)
where:
Base-Base interactions energy: -998.194
where: short stacking energy: -453.088
Base-Backbone interact. energy: 3.285
local terms energy: -511.543716
where:
bonds (distance) C4'-P energy: -101.918
bonds (distance) P-C4' energy: -98.709
flat angles C4'-P-C4' energy: -133.668
flat angles P-C4'-P energy: -64.911
tors. eta vs tors. theta energy: -112.338
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: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1179.288914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.288914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.288914 (E_RNA)
where:
Base-Base interactions energy: -770.364
where: short stacking energy: -337.817
Base-Backbone interact. energy: -3.167
local terms energy: -405.757478
where:
bonds (distance) C4'-P energy: -90.236
bonds (distance) P-C4' energy: -104.970
flat angles C4'-P-C4' energy: -114.993
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -41.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -943.575017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.575017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.575017 (E_RNA)
where:
Base-Base interactions energy: -536.129
where: short stacking energy: -249.840
Base-Backbone interact. energy: -0.129
local terms energy: -407.317280
where:
bonds (distance) C4'-P energy: -83.093
bonds (distance) P-C4' energy: -100.497
flat angles C4'-P-C4' energy: -119.728
flat angles P-C4'-P energy: -66.643
tors. eta vs tors. theta energy: -37.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -672.499214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.499214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.499214 (E_RNA)
where:
Base-Base interactions energy: -295.139
where: short stacking energy: -189.406
Base-Backbone interact. energy: -1.240
local terms energy: -376.120535
where:
bonds (distance) C4'-P energy: -122.759
bonds (distance) P-C4' energy: -102.371
flat angles C4'-P-C4' energy: -91.442
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2302.249895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.249895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.249895 (E_RNA)
where:
Base-Base interactions energy: -1583.921
where: short stacking energy: -697.008
Base-Backbone interact. energy: -1.907
local terms energy: -716.422159
where:
bonds (distance) C4'-P energy: -112.959
bonds (distance) P-C4' energy: -134.340
flat angles C4'-P-C4' energy: -155.187
flat angles P-C4'-P energy: -110.535
tors. eta vs tors. theta energy: -203.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2264.457472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.457472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.457472 (E_RNA)
where:
Base-Base interactions energy: -1590.717
where: short stacking energy: -681.892
Base-Backbone interact. energy: -3.348
local terms energy: -670.391949
where:
bonds (distance) C4'-P energy: -109.989
bonds (distance) P-C4' energy: -129.336
flat angles C4'-P-C4' energy: -138.360
flat angles P-C4'-P energy: -110.325
tors. eta vs tors. theta energy: -182.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2098.728436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.728436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.728436 (E_RNA)
where:
Base-Base interactions energy: -1446.183
where: short stacking energy: -605.966
Base-Backbone interact. energy: -2.907
local terms energy: -649.638552
where:
bonds (distance) C4'-P energy: -133.782
bonds (distance) P-C4' energy: -119.241
flat angles C4'-P-C4' energy: -142.055
flat angles P-C4'-P energy: -94.037
tors. eta vs tors. theta energy: -160.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2059.998633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.998633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.998633 (E_RNA)
where:
Base-Base interactions energy: -1409.295
where: short stacking energy: -617.484
Base-Backbone interact. energy: -4.520
local terms energy: -646.183711
where:
bonds (distance) C4'-P energy: -110.489
bonds (distance) P-C4' energy: -120.617
flat angles C4'-P-C4' energy: -151.184
flat angles P-C4'-P energy: -93.958
tors. eta vs tors. theta energy: -169.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1932.800537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.800537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.800537 (E_RNA)
where:
Base-Base interactions energy: -1322.960
where: short stacking energy: -550.843
Base-Backbone interact. energy: -1.666
local terms energy: -608.174465
where:
bonds (distance) C4'-P energy: -117.123
bonds (distance) P-C4' energy: -103.870
flat angles C4'-P-C4' energy: -152.741
flat angles P-C4'-P energy: -83.906
tors. eta vs tors. theta energy: -150.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1696.755280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.755280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.755280 (E_RNA)
where:
Base-Base interactions energy: -1158.020
where: short stacking energy: -480.028
Base-Backbone interact. energy: -4.356
local terms energy: -534.379337
where:
bonds (distance) C4'-P energy: -109.322
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -128.123
flat angles P-C4'-P energy: -81.561
tors. eta vs tors. theta energy: -107.905
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: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1516.332793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.332793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.332793 (E_RNA)
where:
Base-Base interactions energy: -1027.721
where: short stacking energy: -448.907
Base-Backbone interact. energy: -4.078
local terms energy: -484.534062
where:
bonds (distance) C4'-P energy: -95.886
bonds (distance) P-C4' energy: -106.651
flat angles C4'-P-C4' energy: -112.631
flat angles P-C4'-P energy: -63.298
tors. eta vs tors. theta energy: -106.068
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: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1164.200284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.200284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.200284 (E_RNA)
where:
Base-Base interactions energy: -688.806
where: short stacking energy: -327.498
Base-Backbone interact. energy: -1.540
local terms energy: -473.854677
where:
bonds (distance) C4'-P energy: -94.755
bonds (distance) P-C4' energy: -117.252
flat angles C4'-P-C4' energy: -123.031
flat angles P-C4'-P energy: -83.665
tors. eta vs tors. theta energy: -55.151
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: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -936.982995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.982995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.982995 (E_RNA)
where:
Base-Base interactions energy: -530.651
where: short stacking energy: -291.137
Base-Backbone interact. energy: -1.123
local terms energy: -405.208818
where:
bonds (distance) C4'-P energy: -104.273
bonds (distance) P-C4' energy: -108.913
flat angles C4'-P-C4' energy: -98.822
flat angles P-C4'-P energy: -46.849
tors. eta vs tors. theta energy: -46.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -622.096961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.096961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.096961 (E_RNA)
where:
Base-Base interactions energy: -277.767
where: short stacking energy: -190.472
Base-Backbone interact. energy: 4.678
local terms energy: -349.008550
where:
bonds (distance) C4'-P energy: -93.280
bonds (distance) P-C4' energy: -101.946
flat angles C4'-P-C4' energy: -112.899
flat angles P-C4'-P energy: -59.062
tors. eta vs tors. theta energy: 18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2321.147604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.147604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.147604 (E_RNA)
where:
Base-Base interactions energy: -1596.144
where: short stacking energy: -696.783
Base-Backbone interact. energy: 0.068
local terms energy: -725.071293
where:
bonds (distance) C4'-P energy: -129.397
bonds (distance) P-C4' energy: -142.335
flat angles C4'-P-C4' energy: -141.882
flat angles P-C4'-P energy: -106.362
tors. eta vs tors. theta energy: -205.095
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: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2291.855177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.855177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.855177 (E_RNA)
where:
Base-Base interactions energy: -1606.786
where: short stacking energy: -654.361
Base-Backbone interact. energy: -2.869
local terms energy: -682.200217
where:
bonds (distance) C4'-P energy: -138.632
bonds (distance) P-C4' energy: -111.329
flat angles C4'-P-C4' energy: -147.851
flat angles P-C4'-P energy: -95.757
tors. eta vs tors. theta energy: -188.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2132.490030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.490030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.490030 (E_RNA)
where:
Base-Base interactions energy: -1477.459
where: short stacking energy: -609.296
Base-Backbone interact. energy: 0.095
local terms energy: -655.125724
where:
bonds (distance) C4'-P energy: -124.294
bonds (distance) P-C4' energy: -134.249
flat angles C4'-P-C4' energy: -142.469
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -165.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2092.231915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.231915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.231915 (E_RNA)
where:
Base-Base interactions energy: -1484.838
where: short stacking energy: -612.043
Base-Backbone interact. energy: -3.044
local terms energy: -604.349269
where:
bonds (distance) C4'-P energy: -104.590
bonds (distance) P-C4' energy: -114.611
flat angles C4'-P-C4' energy: -128.123
flat angles P-C4'-P energy: -90.262
tors. eta vs tors. theta energy: -166.763
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: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1927.487019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.487019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.487019 (E_RNA)
where:
Base-Base interactions energy: -1322.651
where: short stacking energy: -560.524
Base-Backbone interact. energy: -2.788
local terms energy: -602.048154
where:
bonds (distance) C4'-P energy: -109.646
bonds (distance) P-C4' energy: -116.372
flat angles C4'-P-C4' energy: -132.784
flat angles P-C4'-P energy: -91.618
tors. eta vs tors. theta energy: -151.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1765.906718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.906718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.906718 (E_RNA)
where:
Base-Base interactions energy: -1233.704
where: short stacking energy: -505.472
Base-Backbone interact. energy: 1.269
local terms energy: -533.471093
where:
bonds (distance) C4'-P energy: -109.089
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -131.697
flat angles P-C4'-P energy: -70.672
tors. eta vs tors. theta energy: -123.977
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1483.375734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.375734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.375734 (E_RNA)
where:
Base-Base interactions energy: -982.972
where: short stacking energy: -434.753
Base-Backbone interact. energy: 0.846
local terms energy: -501.249936
where:
bonds (distance) C4'-P energy: -107.870
bonds (distance) P-C4' energy: -121.705
flat angles C4'-P-C4' energy: -107.841
flat angles P-C4'-P energy: -66.230
tors. eta vs tors. theta energy: -97.605
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: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1148.564174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.564174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.564174 (E_RNA)
where:
Base-Base interactions energy: -687.961
where: short stacking energy: -346.573
Base-Backbone interact. energy: -1.788
local terms energy: -458.815571
where:
bonds (distance) C4'-P energy: -111.392
bonds (distance) P-C4' energy: -109.198
flat angles C4'-P-C4' energy: -102.190
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -60.966
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: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -970.944846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.944846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.944846 (E_RNA)
where:
Base-Base interactions energy: -565.747
where: short stacking energy: -289.013
Base-Backbone interact. energy: 0.911
local terms energy: -406.108364
where:
bonds (distance) C4'-P energy: -114.029
bonds (distance) P-C4' energy: -104.316
flat angles C4'-P-C4' energy: -113.822
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -33.761
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: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -648.160286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.160286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.160286 (E_RNA)
where:
Base-Base interactions energy: -288.324
where: short stacking energy: -184.850
Base-Backbone interact. energy: 8.446
local terms energy: -368.281475
where:
bonds (distance) C4'-P energy: -112.208
bonds (distance) P-C4' energy: -93.527
flat angles C4'-P-C4' energy: -101.739
flat angles P-C4'-P energy: -64.345
tors. eta vs tors. theta energy: 3.538
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: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2340.717058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.717058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.717058 (E_RNA)
where:
Base-Base interactions energy: -1615.186
where: short stacking energy: -698.907
Base-Backbone interact. energy: -3.022
local terms energy: -722.508612
where:
bonds (distance) C4'-P energy: -134.198
bonds (distance) P-C4' energy: -136.935
flat angles C4'-P-C4' energy: -155.269
flat angles P-C4'-P energy: -98.269
tors. eta vs tors. theta energy: -197.837
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: 292
Temperature: 0.950000
Total energy: -2309.468622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.468622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.468622 (E_RNA)
where:
Base-Base interactions energy: -1625.913
where: short stacking energy: -667.031
Base-Backbone interact. energy: -5.458
local terms energy: -678.097245
where:
bonds (distance) C4'-P energy: -121.073
bonds (distance) P-C4' energy: -132.878
flat angles C4'-P-C4' energy: -134.162
flat angles P-C4'-P energy: -100.677
tors. eta vs tors. theta energy: -189.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2129.691420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.691420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.691420 (E_RNA)
where:
Base-Base interactions energy: -1479.796
where: short stacking energy: -629.694
Base-Backbone interact. energy: -5.225
local terms energy: -644.669772
where:
bonds (distance) C4'-P energy: -113.025
bonds (distance) P-C4' energy: -130.187
flat angles C4'-P-C4' energy: -135.901
flat angles P-C4'-P energy: -92.580
tors. eta vs tors. theta energy: -172.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2126.596644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.596644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.596644 (E_RNA)
where:
Base-Base interactions energy: -1480.378
where: short stacking energy: -636.902
Base-Backbone interact. energy: -3.262
local terms energy: -642.956309
where:
bonds (distance) C4'-P energy: -108.815
bonds (distance) P-C4' energy: -107.181
flat angles C4'-P-C4' energy: -144.901
flat angles P-C4'-P energy: -97.370
tors. eta vs tors. theta energy: -184.689
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1906.408951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.408951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.408951 (E_RNA)
where:
Base-Base interactions energy: -1315.906
where: short stacking energy: -541.010
Base-Backbone interact. energy: -1.956
local terms energy: -588.546970
where:
bonds (distance) C4'-P energy: -107.030
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -126.205
flat angles P-C4'-P energy: -87.731
tors. eta vs tors. theta energy: -143.257
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: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1754.651906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.651906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.651906 (E_RNA)
where:
Base-Base interactions energy: -1208.499
where: short stacking energy: -538.549
Base-Backbone interact. energy: -2.653
local terms energy: -543.500377
where:
bonds (distance) C4'-P energy: -124.471
bonds (distance) P-C4' energy: -101.183
flat angles C4'-P-C4' energy: -125.929
flat angles P-C4'-P energy: -72.783
tors. eta vs tors. theta energy: -119.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1449.347431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.347431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.347431 (E_RNA)
where:
Base-Base interactions energy: -941.070
where: short stacking energy: -412.229
Base-Backbone interact. energy: -0.467
local terms energy: -507.810662
where:
bonds (distance) C4'-P energy: -106.966
bonds (distance) P-C4' energy: -118.340
flat angles C4'-P-C4' energy: -144.415
flat angles P-C4'-P energy: -64.754
tors. eta vs tors. theta energy: -73.336
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: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1147.976622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.976622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.976622 (E_RNA)
where:
Base-Base interactions energy: -680.732
where: short stacking energy: -301.231
Base-Backbone interact. energy: -0.730
local terms energy: -466.514434
where:
bonds (distance) C4'-P energy: -117.541
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -88.047
flat angles P-C4'-P energy: -75.798
tors. eta vs tors. theta energy: -58.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -973.154950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.154950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.154950 (E_RNA)
where:
Base-Base interactions energy: -539.245
where: short stacking energy: -280.917
Base-Backbone interact. energy: 1.841
local terms energy: -435.750432
where:
bonds (distance) C4'-P energy: -107.044
bonds (distance) P-C4' energy: -123.673
flat angles C4'-P-C4' energy: -105.540
flat angles P-C4'-P energy: -69.605
tors. eta vs tors. theta energy: -29.889
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: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -629.106471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.106471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.106471 (E_RNA)
where:
Base-Base interactions energy: -295.781
where: short stacking energy: -176.852
Base-Backbone interact. energy: 2.610
local terms energy: -335.935131
where:
bonds (distance) C4'-P energy: -116.107
bonds (distance) P-C4' energy: -115.121
flat angles C4'-P-C4' energy: -75.556
flat angles P-C4'-P energy: -51.951
tors. eta vs tors. theta energy: 22.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2335.044215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.044215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.044215 (E_RNA)
where:
Base-Base interactions energy: -1620.614
where: short stacking energy: -721.526
Base-Backbone interact. energy: -1.533
local terms energy: -712.897489
where:
bonds (distance) C4'-P energy: -122.191
bonds (distance) P-C4' energy: -139.554
flat angles C4'-P-C4' energy: -159.952
flat angles P-C4'-P energy: -89.039
tors. eta vs tors. theta energy: -202.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2311.581090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.581090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.581090 (E_RNA)
where:
Base-Base interactions energy: -1627.561
where: short stacking energy: -639.387
Base-Backbone interact. energy: -3.816
local terms energy: -680.204215
where:
bonds (distance) C4'-P energy: -122.262
bonds (distance) P-C4' energy: -132.768
flat angles C4'-P-C4' energy: -151.852
flat angles P-C4'-P energy: -91.186
tors. eta vs tors. theta energy: -182.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2134.974284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.974284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.974284 (E_RNA)
where:
Base-Base interactions energy: -1469.123
where: short stacking energy: -614.132
Base-Backbone interact. energy: -4.011
local terms energy: -661.840524
where:
bonds (distance) C4'-P energy: -125.597
bonds (distance) P-C4' energy: -141.158
flat angles C4'-P-C4' energy: -137.453
flat angles P-C4'-P energy: -90.674
tors. eta vs tors. theta energy: -166.958
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: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2097.936378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.936378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.936378 (E_RNA)
where:
Base-Base interactions energy: -1472.182
where: short stacking energy: -623.096
Base-Backbone interact. energy: -1.831
local terms energy: -623.923807
where:
bonds (distance) C4'-P energy: -117.407
bonds (distance) P-C4' energy: -114.594
flat angles C4'-P-C4' energy: -146.757
flat angles P-C4'-P energy: -75.000
tors. eta vs tors. theta energy: -170.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1914.314885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.314885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.314885 (E_RNA)
where:
Base-Base interactions energy: -1295.041
where: short stacking energy: -539.014
Base-Backbone interact. energy: -2.520
local terms energy: -616.753784
where:
bonds (distance) C4'-P energy: -122.169
bonds (distance) P-C4' energy: -138.834
flat angles C4'-P-C4' energy: -133.938
flat angles P-C4'-P energy: -71.995
tors. eta vs tors. theta energy: -149.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1713.400533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.400533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.400533 (E_RNA)
where:
Base-Base interactions energy: -1146.856
where: short stacking energy: -463.407
Base-Backbone interact. energy: -3.551
local terms energy: -562.992952
where:
bonds (distance) C4'-P energy: -113.427
bonds (distance) P-C4' energy: -128.853
flat angles C4'-P-C4' energy: -134.128
flat angles P-C4'-P energy: -80.431
tors. eta vs tors. theta energy: -106.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1475.603023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.603023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.603023 (E_RNA)
where:
Base-Base interactions energy: -961.308
where: short stacking energy: -422.706
Base-Backbone interact. energy: -1.883
local terms energy: -512.412366
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -115.254
flat angles C4'-P-C4' energy: -128.488
flat angles P-C4'-P energy: -77.081
tors. eta vs tors. theta energy: -83.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1149.094101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.094101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.094101 (E_RNA)
where:
Base-Base interactions energy: -719.007
where: short stacking energy: -325.742
Base-Backbone interact. energy: -2.440
local terms energy: -427.647114
where:
bonds (distance) C4'-P energy: -90.111
bonds (distance) P-C4' energy: -117.063
flat angles C4'-P-C4' energy: -114.342
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -56.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1025.539275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.539275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.539275 (E_RNA)
where:
Base-Base interactions energy: -613.912
where: short stacking energy: -301.387
Base-Backbone interact. energy: -1.715
local terms energy: -409.911809
where:
bonds (distance) C4'-P energy: -90.422
bonds (distance) P-C4' energy: -130.635
flat angles C4'-P-C4' energy: -114.070
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -29.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -652.035859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.035859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.035859 (E_RNA)
where:
Base-Base interactions energy: -319.677
where: short stacking energy: -181.803
Base-Backbone interact. energy: 0.334
local terms energy: -332.693207
where:
bonds (distance) C4'-P energy: -107.356
bonds (distance) P-C4' energy: -97.248
flat angles C4'-P-C4' energy: -75.965
flat angles P-C4'-P energy: -69.677
tors. eta vs tors. theta energy: 17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2321.097628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.097628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.097628 (E_RNA)
where:
Base-Base interactions energy: -1586.221
where: short stacking energy: -697.854
Base-Backbone interact. energy: 0.218
local terms energy: -735.094684
where:
bonds (distance) C4'-P energy: -135.791
bonds (distance) P-C4' energy: -142.721
flat angles C4'-P-C4' energy: -151.830
flat angles P-C4'-P energy: -102.473
tors. eta vs tors. theta energy: -202.280
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: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2287.244420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.244420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.244420 (E_RNA)
where:
Base-Base interactions energy: -1615.243
where: short stacking energy: -653.010
Base-Backbone interact. energy: -3.471
local terms energy: -668.530527
where:
bonds (distance) C4'-P energy: -121.211
bonds (distance) P-C4' energy: -127.885
flat angles C4'-P-C4' energy: -137.193
flat angles P-C4'-P energy: -94.798
tors. eta vs tors. theta energy: -187.444
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: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2178.453450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.453450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.453450 (E_RNA)
where:
Base-Base interactions energy: -1497.084
where: short stacking energy: -656.697
Base-Backbone interact. energy: 0.742
local terms energy: -682.111494
where:
bonds (distance) C4'-P energy: -123.509
bonds (distance) P-C4' energy: -126.237
flat angles C4'-P-C4' energy: -142.859
flat angles P-C4'-P energy: -99.784
tors. eta vs tors. theta energy: -189.723
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: 294
Temperature: 1.050000
Total energy: -2076.886934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.886934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.886934 (E_RNA)
where:
Base-Base interactions energy: -1457.346
where: short stacking energy: -598.563
Base-Backbone interact. energy: -0.283
local terms energy: -619.257805
where:
bonds (distance) C4'-P energy: -117.794
bonds (distance) P-C4' energy: -114.185
flat angles C4'-P-C4' energy: -136.464
flat angles P-C4'-P energy: -91.449
tors. eta vs tors. theta energy: -159.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1898.236220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.236220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.236220 (E_RNA)
where:
Base-Base interactions energy: -1316.484
where: short stacking energy: -555.647
Base-Backbone interact. energy: -2.129
local terms energy: -579.623729
where:
bonds (distance) C4'-P energy: -116.033
bonds (distance) P-C4' energy: -111.336
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -88.890
tors. eta vs tors. theta energy: -139.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1696.521854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.521854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.521854 (E_RNA)
where:
Base-Base interactions energy: -1163.221
where: short stacking energy: -483.489
Base-Backbone interact. energy: -1.014
local terms energy: -532.287114
where:
bonds (distance) C4'-P energy: -116.696
bonds (distance) P-C4' energy: -117.077
flat angles C4'-P-C4' energy: -119.543
flat angles P-C4'-P energy: -62.816
tors. eta vs tors. theta energy: -116.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1506.203193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.203193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.203193 (E_RNA)
where:
Base-Base interactions energy: -1006.144
where: short stacking energy: -422.106
Base-Backbone interact. energy: -0.488
local terms energy: -499.571432
where:
bonds (distance) C4'-P energy: -115.345
bonds (distance) P-C4' energy: -128.026
flat angles C4'-P-C4' energy: -109.289
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -84.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1158.813784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.813784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.813784 (E_RNA)
where:
Base-Base interactions energy: -700.616
where: short stacking energy: -338.516
Base-Backbone interact. energy: -1.491
local terms energy: -456.706957
where:
bonds (distance) C4'-P energy: -101.079
bonds (distance) P-C4' energy: -114.525
flat angles C4'-P-C4' energy: -101.875
flat angles P-C4'-P energy: -66.187
tors. eta vs tors. theta energy: -73.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1002.668570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.668570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.668570 (E_RNA)
where:
Base-Base interactions energy: -613.558
where: short stacking energy: -294.709
Base-Backbone interact. energy: 0.066
local terms energy: -389.176489
where:
bonds (distance) C4'-P energy: -93.255
bonds (distance) P-C4' energy: -115.642
flat angles C4'-P-C4' energy: -88.663
flat angles P-C4'-P energy: -66.495
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -637.712041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.712041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.712041 (E_RNA)
where:
Base-Base interactions energy: -323.759
where: short stacking energy: -195.218
Base-Backbone interact. energy: -2.405
local terms energy: -311.548819
where:
bonds (distance) C4'-P energy: -101.430
bonds (distance) P-C4' energy: -95.464
flat angles C4'-P-C4' energy: -75.219
flat angles P-C4'-P energy: -48.935
tors. eta vs tors. theta energy: 9.498
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: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2317.393331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.393331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.393331 (E_RNA)
where:
Base-Base interactions energy: -1605.231
where: short stacking energy: -685.811
Base-Backbone interact. energy: -2.091
local terms energy: -710.071722
where:
bonds (distance) C4'-P energy: -127.453
bonds (distance) P-C4' energy: -127.955
flat angles C4'-P-C4' energy: -156.520
flat angles P-C4'-P energy: -105.430
tors. eta vs tors. theta energy: -192.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2302.318476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.318476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.318476 (E_RNA)
where:
Base-Base interactions energy: -1613.825
where: short stacking energy: -657.603
Base-Backbone interact. energy: -0.905
local terms energy: -687.588309
where:
bonds (distance) C4'-P energy: -106.754
bonds (distance) P-C4' energy: -130.402
flat angles C4'-P-C4' energy: -156.491
flat angles P-C4'-P energy: -105.789
tors. eta vs tors. theta energy: -188.153
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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2161.782840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.782840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.782840 (E_RNA)
where:
Base-Base interactions energy: -1475.364
where: short stacking energy: -661.018
Base-Backbone interact. energy: -1.155
local terms energy: -685.263766
where:
bonds (distance) C4'-P energy: -111.837
bonds (distance) P-C4' energy: -134.043
flat angles C4'-P-C4' energy: -143.425
flat angles P-C4'-P energy: -105.744
tors. eta vs tors. theta energy: -190.215
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: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2025.567800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.567800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.567800 (E_RNA)
where:
Base-Base interactions energy: -1401.172
where: short stacking energy: -584.991
Base-Backbone interact. energy: -0.741
local terms energy: -623.655238
where:
bonds (distance) C4'-P energy: -126.009
bonds (distance) P-C4' energy: -119.143
flat angles C4'-P-C4' energy: -126.360
flat angles P-C4'-P energy: -92.375
tors. eta vs tors. theta energy: -159.769
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: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1903.272038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.272038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.272038 (E_RNA)
where:
Base-Base interactions energy: -1274.087
where: short stacking energy: -569.993
Base-Backbone interact. energy: 1.153
local terms energy: -630.338144
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -140.135
flat angles P-C4'-P energy: -104.015
tors. eta vs tors. theta energy: -161.406
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: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1674.407693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.407693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.407693 (E_RNA)
where:
Base-Base interactions energy: -1133.011
where: short stacking energy: -473.066
Base-Backbone interact. energy: -5.713
local terms energy: -535.683411
where:
bonds (distance) C4'-P energy: -107.103
bonds (distance) P-C4' energy: -120.284
flat angles C4'-P-C4' energy: -120.306
flat angles P-C4'-P energy: -66.671
tors. eta vs tors. theta energy: -121.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1555.442671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.442671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.442671 (E_RNA)
where:
Base-Base interactions energy: -1042.915
where: short stacking energy: -435.773
Base-Backbone interact. energy: -0.472
local terms energy: -512.055264
where:
bonds (distance) C4'-P energy: -109.774
bonds (distance) P-C4' energy: -104.788
flat angles C4'-P-C4' energy: -124.004
flat angles P-C4'-P energy: -82.392
tors. eta vs tors. theta energy: -91.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1128.094944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.094944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.094944 (E_RNA)
where:
Base-Base interactions energy: -706.127
where: short stacking energy: -330.745
Base-Backbone interact. energy: -1.642
local terms energy: -420.325645
where:
bonds (distance) C4'-P energy: -107.033
bonds (distance) P-C4' energy: -101.817
flat angles C4'-P-C4' energy: -105.165
flat angles P-C4'-P energy: -56.856
tors. eta vs tors. theta energy: -49.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -997.741787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.741787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.741787 (E_RNA)
where:
Base-Base interactions energy: -602.582
where: short stacking energy: -305.589
Base-Backbone interact. energy: -3.404
local terms energy: -391.755122
where:
bonds (distance) C4'-P energy: -94.858
bonds (distance) P-C4' energy: -110.855
flat angles C4'-P-C4' energy: -102.315
flat angles P-C4'-P energy: -42.823
tors. eta vs tors. theta energy: -40.904
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: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -686.434421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.434421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.434421 (E_RNA)
where:
Base-Base interactions energy: -340.111
where: short stacking energy: -185.047
Base-Backbone interact. energy: 0.103
local terms energy: -346.426646
where:
bonds (distance) C4'-P energy: -83.450
bonds (distance) P-C4' energy: -99.880
flat angles C4'-P-C4' energy: -93.865
flat angles P-C4'-P energy: -62.151
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2321.581009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.581009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.581009 (E_RNA)
where:
Base-Base interactions energy: -1609.741
where: short stacking energy: -705.170
Base-Backbone interact. energy: -4.230
local terms energy: -707.609544
where:
bonds (distance) C4'-P energy: -128.146
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -151.940
flat angles P-C4'-P energy: -100.671
tors. eta vs tors. theta energy: -190.663
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: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2287.317596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.317596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.317596 (E_RNA)
where:
Base-Base interactions energy: -1588.105
where: short stacking energy: -630.769
Base-Backbone interact. energy: -0.793
local terms energy: -698.419502
where:
bonds (distance) C4'-P energy: -134.080
bonds (distance) P-C4' energy: -125.428
flat angles C4'-P-C4' energy: -153.119
flat angles P-C4'-P energy: -94.934
tors. eta vs tors. theta energy: -190.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2153.266407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.266407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.266407 (E_RNA)
where:
Base-Base interactions energy: -1469.890
where: short stacking energy: -640.374
Base-Backbone interact. energy: -5.206
local terms energy: -678.171303
where:
bonds (distance) C4'-P energy: -123.501
bonds (distance) P-C4' energy: -124.274
flat angles C4'-P-C4' energy: -147.233
flat angles P-C4'-P energy: -99.734
tors. eta vs tors. theta energy: -183.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2030.646473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.646473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.646473 (E_RNA)
where:
Base-Base interactions energy: -1401.791
where: short stacking energy: -592.154
Base-Backbone interact. energy: -2.220
local terms energy: -626.635924
where:
bonds (distance) C4'-P energy: -109.308
bonds (distance) P-C4' energy: -132.320
flat angles C4'-P-C4' energy: -132.775
flat angles P-C4'-P energy: -80.795
tors. eta vs tors. theta energy: -171.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1960.178296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.178296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.178296 (E_RNA)
where:
Base-Base interactions energy: -1315.242
where: short stacking energy: -598.656
Base-Backbone interact. energy: -1.364
local terms energy: -643.572039
where:
bonds (distance) C4'-P energy: -108.742
bonds (distance) P-C4' energy: -125.963
flat angles C4'-P-C4' energy: -135.209
flat angles P-C4'-P energy: -100.964
tors. eta vs tors. theta energy: -172.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1711.252110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.252110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.252110 (E_RNA)
where:
Base-Base interactions energy: -1185.159
where: short stacking energy: -498.389
Base-Backbone interact. energy: 3.757
local terms energy: -529.849499
where:
bonds (distance) C4'-P energy: -104.458
bonds (distance) P-C4' energy: -110.660
flat angles C4'-P-C4' energy: -122.226
flat angles P-C4'-P energy: -66.318
tors. eta vs tors. theta energy: -126.187
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: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1509.882534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.882534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.882534 (E_RNA)
where:
Base-Base interactions energy: -1030.277
where: short stacking energy: -429.395
Base-Backbone interact. energy: 2.562
local terms energy: -482.167229
where:
bonds (distance) C4'-P energy: -102.665
bonds (distance) P-C4' energy: -100.758
flat angles C4'-P-C4' energy: -127.012
flat angles P-C4'-P energy: -70.028
tors. eta vs tors. theta energy: -81.704
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: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1227.732846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.732846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.732846 (E_RNA)
where:
Base-Base interactions energy: -762.113
where: short stacking energy: -363.550
Base-Backbone interact. energy: 0.954
local terms energy: -466.574278
where:
bonds (distance) C4'-P energy: -119.374
bonds (distance) P-C4' energy: -122.964
flat angles C4'-P-C4' energy: -102.411
flat angles P-C4'-P energy: -55.385
tors. eta vs tors. theta energy: -66.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1039.034646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.034646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.034646 (E_RNA)
where:
Base-Base interactions energy: -602.981
where: short stacking energy: -301.772
Base-Backbone interact. energy: 2.003
local terms energy: -438.056253
where:
bonds (distance) C4'-P energy: -121.417
bonds (distance) P-C4' energy: -117.179
flat angles C4'-P-C4' energy: -93.863
flat angles P-C4'-P energy: -71.915
tors. eta vs tors. theta energy: -33.682
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -675.832766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.832766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.832766 (E_RNA)
where:
Base-Base interactions energy: -324.392
where: short stacking energy: -212.944
Base-Backbone interact. energy: 7.761
local terms energy: -359.202265
where:
bonds (distance) C4'-P energy: -116.288
bonds (distance) P-C4' energy: -115.445
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2318.147392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.147392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.147392 (E_RNA)
where:
Base-Base interactions energy: -1609.680
where: short stacking energy: -694.096
Base-Backbone interact. energy: 1.096
local terms energy: -709.563337
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -143.405
flat angles C4'-P-C4' energy: -150.249
flat angles P-C4'-P energy: -106.444
tors. eta vs tors. theta energy: -189.857
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: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2300.476625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.476625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.476625 (E_RNA)
where:
Base-Base interactions energy: -1605.033
where: short stacking energy: -647.940
Base-Backbone interact. energy: -5.226
local terms energy: -690.218018
where:
bonds (distance) C4'-P energy: -122.734
bonds (distance) P-C4' energy: -130.292
flat angles C4'-P-C4' energy: -150.277
flat angles P-C4'-P energy: -103.448
tors. eta vs tors. theta energy: -183.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2129.386258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.386258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.386258 (E_RNA)
where:
Base-Base interactions energy: -1465.565
where: short stacking energy: -620.870
Base-Backbone interact. energy: -2.839
local terms energy: -660.982243
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -121.467
flat angles C4'-P-C4' energy: -143.785
flat angles P-C4'-P energy: -99.582
tors. eta vs tors. theta energy: -185.704
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: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2058.009855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.009855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.009855 (E_RNA)
where:
Base-Base interactions energy: -1412.994
where: short stacking energy: -593.265
Base-Backbone interact. energy: 2.747
local terms energy: -647.762794
where:
bonds (distance) C4'-P energy: -129.557
bonds (distance) P-C4' energy: -122.018
flat angles C4'-P-C4' energy: -144.355
flat angles P-C4'-P energy: -99.388
tors. eta vs tors. theta energy: -152.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1924.070879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.070879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.070879 (E_RNA)
where:
Base-Base interactions energy: -1306.020
where: short stacking energy: -564.222
Base-Backbone interact. energy: 4.725
local terms energy: -622.775967
where:
bonds (distance) C4'-P energy: -118.440
bonds (distance) P-C4' energy: -127.235
flat angles C4'-P-C4' energy: -134.571
flat angles P-C4'-P energy: -91.037
tors. eta vs tors. theta energy: -151.493
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1691.742443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.742443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.742443 (E_RNA)
where:
Base-Base interactions energy: -1136.613
where: short stacking energy: -498.366
Base-Backbone interact. energy: -3.512
local terms energy: -551.617954
where:
bonds (distance) C4'-P energy: -123.143
bonds (distance) P-C4' energy: -111.269
flat angles C4'-P-C4' energy: -136.319
flat angles P-C4'-P energy: -61.108
tors. eta vs tors. theta energy: -119.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1491.624951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.624951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.624951 (E_RNA)
where:
Base-Base interactions energy: -994.892
where: short stacking energy: -421.426
Base-Backbone interact. energy: 1.888
local terms energy: -498.620302
where:
bonds (distance) C4'-P energy: -117.346
bonds (distance) P-C4' energy: -121.528
flat angles C4'-P-C4' energy: -102.597
flat angles P-C4'-P energy: -73.645
tors. eta vs tors. theta energy: -83.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1238.721613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.721613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.721613 (E_RNA)
where:
Base-Base interactions energy: -772.938
where: short stacking energy: -387.669
Base-Backbone interact. energy: 2.651
local terms energy: -468.434617
where:
bonds (distance) C4'-P energy: -100.807
bonds (distance) P-C4' energy: -111.219
flat angles C4'-P-C4' energy: -97.713
flat angles P-C4'-P energy: -72.687
tors. eta vs tors. theta energy: -86.008
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: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1014.828049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.828049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.828049 (E_RNA)
where:
Base-Base interactions energy: -598.385
where: short stacking energy: -295.256
Base-Backbone interact. energy: -3.012
local terms energy: -413.430647
where:
bonds (distance) C4'-P energy: -111.818
bonds (distance) P-C4' energy: -110.227
flat angles C4'-P-C4' energy: -97.500
flat angles P-C4'-P energy: -54.459
tors. eta vs tors. theta energy: -39.427
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: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -601.083870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.083870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.083870 (E_RNA)
where:
Base-Base interactions energy: -264.638
where: short stacking energy: -185.713
Base-Backbone interact. energy: 9.800
local terms energy: -346.246280
where:
bonds (distance) C4'-P energy: -109.952
bonds (distance) P-C4' energy: -94.829
flat angles C4'-P-C4' energy: -96.886
flat angles P-C4'-P energy: -68.359
tors. eta vs tors. theta energy: 23.779
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: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2341.665780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.665780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.665780 (E_RNA)
where:
Base-Base interactions energy: -1618.682
where: short stacking energy: -674.155
Base-Backbone interact. energy: -3.264
local terms energy: -719.719220
where:
bonds (distance) C4'-P energy: -134.227
bonds (distance) P-C4' energy: -137.272
flat angles C4'-P-C4' energy: -147.821
flat angles P-C4'-P energy: -103.891
tors. eta vs tors. theta energy: -196.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2301.127761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.127761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.127761 (E_RNA)
where:
Base-Base interactions energy: -1621.755
where: short stacking energy: -643.639
Base-Backbone interact. energy: -3.284
local terms energy: -676.089315
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -131.310
flat angles C4'-P-C4' energy: -141.696
flat angles P-C4'-P energy: -106.129
tors. eta vs tors. theta energy: -185.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2161.214902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.214902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.214902 (E_RNA)
where:
Base-Base interactions energy: -1470.363
where: short stacking energy: -653.282
Base-Backbone interact. energy: -4.423
local terms energy: -686.429169
where:
bonds (distance) C4'-P energy: -117.123
bonds (distance) P-C4' energy: -134.158
flat angles C4'-P-C4' energy: -153.407
flat angles P-C4'-P energy: -95.357
tors. eta vs tors. theta energy: -186.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2058.839927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.839927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.839927 (E_RNA)
where:
Base-Base interactions energy: -1445.179
where: short stacking energy: -572.644
Base-Backbone interact. energy: -0.745
local terms energy: -612.916463
where:
bonds (distance) C4'-P energy: -122.354
bonds (distance) P-C4' energy: -106.485
flat angles C4'-P-C4' energy: -137.603
flat angles P-C4'-P energy: -94.527
tors. eta vs tors. theta energy: -151.947
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1986.618984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.618984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.618984 (E_RNA)
where:
Base-Base interactions energy: -1362.773
where: short stacking energy: -595.806
Base-Backbone interact. energy: -2.067
local terms energy: -621.778551
where:
bonds (distance) C4'-P energy: -120.166
bonds (distance) P-C4' energy: -128.892
flat angles C4'-P-C4' energy: -139.703
flat angles P-C4'-P energy: -71.988
tors. eta vs tors. theta energy: -161.030
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: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1707.484122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.484122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.484122 (E_RNA)
where:
Base-Base interactions energy: -1168.720
where: short stacking energy: -512.172
Base-Backbone interact. energy: 2.104
local terms energy: -540.868241
where:
bonds (distance) C4'-P energy: -100.417
bonds (distance) P-C4' energy: -109.611
flat angles C4'-P-C4' energy: -130.505
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -128.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1507.241526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.241526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.241526 (E_RNA)
where:
Base-Base interactions energy: -1006.595
where: short stacking energy: -420.001
Base-Backbone interact. energy: 5.214
local terms energy: -505.861211
where:
bonds (distance) C4'-P energy: -112.377
bonds (distance) P-C4' energy: -109.547
flat angles C4'-P-C4' energy: -115.748
flat angles P-C4'-P energy: -73.866
tors. eta vs tors. theta energy: -94.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1322.565512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.565512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.565512 (E_RNA)
where:
Base-Base interactions energy: -845.018
where: short stacking energy: -414.335
Base-Backbone interact. energy: -0.685
local terms energy: -476.862116
where:
bonds (distance) C4'-P energy: -101.375
bonds (distance) P-C4' energy: -121.419
flat angles C4'-P-C4' energy: -99.752
flat angles P-C4'-P energy: -68.970
tors. eta vs tors. theta energy: -85.346
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: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -911.270792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.270792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.270792 (E_RNA)
where:
Base-Base interactions energy: -510.102
where: short stacking energy: -262.349
Base-Backbone interact. energy: 1.053
local terms energy: -402.222630
where:
bonds (distance) C4'-P energy: -105.438
bonds (distance) P-C4' energy: -96.779
flat angles C4'-P-C4' energy: -115.828
flat angles P-C4'-P energy: -53.432
tors. eta vs tors. theta energy: -30.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -659.582653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.582653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.582653 (E_RNA)
where:
Base-Base interactions energy: -339.688
where: short stacking energy: -194.446
Base-Backbone interact. energy: -0.174
local terms energy: -319.721083
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -93.328
flat angles C4'-P-C4' energy: -90.232
flat angles P-C4'-P energy: -40.590
tors. eta vs tors. theta energy: 7.522
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: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2344.499538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.499538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.499538 (E_RNA)
where:
Base-Base interactions energy: -1626.134
where: short stacking energy: -694.254
Base-Backbone interact. energy: 0.088
local terms energy: -718.452864
where:
bonds (distance) C4'-P energy: -134.388
bonds (distance) P-C4' energy: -131.152
flat angles C4'-P-C4' energy: -157.800
flat angles P-C4'-P energy: -104.519
tors. eta vs tors. theta energy: -190.593
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: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2333.616518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.616518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.616518 (E_RNA)
where:
Base-Base interactions energy: -1631.242
where: short stacking energy: -661.201
Base-Backbone interact. energy: -2.686
local terms energy: -699.688825
where:
bonds (distance) C4'-P energy: -130.437
bonds (distance) P-C4' energy: -131.941
flat angles C4'-P-C4' energy: -144.852
flat angles P-C4'-P energy: -105.607
tors. eta vs tors. theta energy: -186.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2135.476149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.476149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.476149 (E_RNA)
where:
Base-Base interactions energy: -1462.121
where: short stacking energy: -639.572
Base-Backbone interact. energy: -1.565
local terms energy: -671.789872
where:
bonds (distance) C4'-P energy: -134.977
bonds (distance) P-C4' energy: -115.771
flat angles C4'-P-C4' energy: -141.464
flat angles P-C4'-P energy: -96.105
tors. eta vs tors. theta energy: -183.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2087.292089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.292089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.292089 (E_RNA)
where:
Base-Base interactions energy: -1463.307
where: short stacking energy: -623.684
Base-Backbone interact. energy: -3.100
local terms energy: -620.885503
where:
bonds (distance) C4'-P energy: -102.248
bonds (distance) P-C4' energy: -125.007
flat angles C4'-P-C4' energy: -134.715
flat angles P-C4'-P energy: -80.131
tors. eta vs tors. theta energy: -178.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1978.054429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.054429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.054429 (E_RNA)
where:
Base-Base interactions energy: -1384.182
where: short stacking energy: -586.426
Base-Backbone interact. energy: -0.072
local terms energy: -593.800041
where:
bonds (distance) C4'-P energy: -122.200
bonds (distance) P-C4' energy: -99.367
flat angles C4'-P-C4' energy: -122.533
flat angles P-C4'-P energy: -85.952
tors. eta vs tors. theta energy: -163.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1739.599270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.599270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.599270 (E_RNA)
where:
Base-Base interactions energy: -1197.212
where: short stacking energy: -475.072
Base-Backbone interact. energy: -5.743
local terms energy: -536.644709
where:
bonds (distance) C4'-P energy: -95.541
bonds (distance) P-C4' energy: -126.954
flat angles C4'-P-C4' energy: -122.146
flat angles P-C4'-P energy: -79.289
tors. eta vs tors. theta energy: -112.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1507.507299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.507299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.507299 (E_RNA)
where:
Base-Base interactions energy: -1016.037
where: short stacking energy: -423.992
Base-Backbone interact. energy: -0.347
local terms energy: -491.123987
where:
bonds (distance) C4'-P energy: -105.682
bonds (distance) P-C4' energy: -124.685
flat angles C4'-P-C4' energy: -108.326
flat angles P-C4'-P energy: -61.906
tors. eta vs tors. theta energy: -90.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1238.436043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.436043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.436043 (E_RNA)
where:
Base-Base interactions energy: -775.215
where: short stacking energy: -390.699
Base-Backbone interact. energy: 11.345
local terms energy: -474.566749
where:
bonds (distance) C4'-P energy: -99.329
bonds (distance) P-C4' energy: -106.230
flat angles C4'-P-C4' energy: -112.432
flat angles P-C4'-P energy: -74.611
tors. eta vs tors. theta energy: -81.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -955.278959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.278959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.278959 (E_RNA)
where:
Base-Base interactions energy: -569.297
where: short stacking energy: -291.905
Base-Backbone interact. energy: -1.658
local terms energy: -384.323097
where:
bonds (distance) C4'-P energy: -110.253
bonds (distance) P-C4' energy: -104.069
flat angles C4'-P-C4' energy: -101.727
flat angles P-C4'-P energy: -31.790
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -693.058535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.058535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.058535 (E_RNA)
where:
Base-Base interactions energy: -350.039
where: short stacking energy: -187.182
Base-Backbone interact. energy: -0.438
local terms energy: -342.582294
where:
bonds (distance) C4'-P energy: -93.695
bonds (distance) P-C4' energy: -114.766
flat angles C4'-P-C4' energy: -95.846
flat angles P-C4'-P energy: -41.710
tors. eta vs tors. theta energy: 3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2342.709886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.709886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.709886 (E_RNA)
where:
Base-Base interactions energy: -1617.847
where: short stacking energy: -701.392
Base-Backbone interact. energy: -4.138
local terms energy: -720.725460
where:
bonds (distance) C4'-P energy: -132.354
bonds (distance) P-C4' energy: -133.548
flat angles C4'-P-C4' energy: -162.663
flat angles P-C4'-P energy: -100.167
tors. eta vs tors. theta energy: -191.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2247.539414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.539414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.539414 (E_RNA)
where:
Base-Base interactions energy: -1549.304
where: short stacking energy: -649.827
Base-Backbone interact. energy: -0.700
local terms energy: -697.534998
where:
bonds (distance) C4'-P energy: -128.196
bonds (distance) P-C4' energy: -128.626
flat angles C4'-P-C4' energy: -149.141
flat angles P-C4'-P energy: -116.598
tors. eta vs tors. theta energy: -174.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2144.156886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.156886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.156886 (E_RNA)
where:
Base-Base interactions energy: -1506.272
where: short stacking energy: -657.387
Base-Backbone interact. energy: -3.325
local terms energy: -634.559530
where:
bonds (distance) C4'-P energy: -103.214
bonds (distance) P-C4' energy: -118.792
flat angles C4'-P-C4' energy: -129.878
flat angles P-C4'-P energy: -93.745
tors. eta vs tors. theta energy: -188.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2081.046658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.046658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.046658 (E_RNA)
where:
Base-Base interactions energy: -1471.088
where: short stacking energy: -626.519
Base-Backbone interact. energy: 4.358
local terms energy: -614.316399
where:
bonds (distance) C4'-P energy: -102.418
bonds (distance) P-C4' energy: -111.042
flat angles C4'-P-C4' energy: -138.581
flat angles P-C4'-P energy: -92.221
tors. eta vs tors. theta energy: -170.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1946.852005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.852005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.852005 (E_RNA)
where:
Base-Base interactions energy: -1327.182
where: short stacking energy: -549.122
Base-Backbone interact. energy: -2.852
local terms energy: -616.817705
where:
bonds (distance) C4'-P energy: -127.286
bonds (distance) P-C4' energy: -120.100
flat angles C4'-P-C4' energy: -136.385
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -151.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1737.054997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.054997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.054997 (E_RNA)
where:
Base-Base interactions energy: -1171.787
where: short stacking energy: -479.341
Base-Backbone interact. energy: 3.162
local terms energy: -568.429526
where:
bonds (distance) C4'-P energy: -103.066
bonds (distance) P-C4' energy: -136.876
flat angles C4'-P-C4' energy: -127.305
flat angles P-C4'-P energy: -78.400
tors. eta vs tors. theta energy: -122.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1491.141862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.141862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.141862 (E_RNA)
where:
Base-Base interactions energy: -992.565
where: short stacking energy: -433.961
Base-Backbone interact. energy: -2.873
local terms energy: -495.703008
where:
bonds (distance) C4'-P energy: -97.017
bonds (distance) P-C4' energy: -99.115
flat angles C4'-P-C4' energy: -118.709
flat angles P-C4'-P energy: -77.111
tors. eta vs tors. theta energy: -103.752
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: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1262.596000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.596000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.596000 (E_RNA)
where:
Base-Base interactions energy: -789.201
where: short stacking energy: -404.052
Base-Backbone interact. energy: -0.418
local terms energy: -472.977622
where:
bonds (distance) C4'-P energy: -111.437
bonds (distance) P-C4' energy: -114.309
flat angles C4'-P-C4' energy: -108.231
flat angles P-C4'-P energy: -62.561
tors. eta vs tors. theta energy: -76.439
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: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -972.279504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.279504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.279504 (E_RNA)
where:
Base-Base interactions energy: -560.536
where: short stacking energy: -297.330
Base-Backbone interact. energy: -2.456
local terms energy: -409.287304
where:
bonds (distance) C4'-P energy: -90.607
bonds (distance) P-C4' energy: -110.176
flat angles C4'-P-C4' energy: -107.859
flat angles P-C4'-P energy: -58.286
tors. eta vs tors. theta energy: -42.359
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: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -629.989252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.989252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.989252 (E_RNA)
where:
Base-Base interactions energy: -295.188
where: short stacking energy: -174.072
Base-Backbone interact. energy: 1.075
local terms energy: -335.876038
where:
bonds (distance) C4'-P energy: -113.146
bonds (distance) P-C4' energy: -117.875
flat angles C4'-P-C4' energy: -74.775
flat angles P-C4'-P energy: -54.995
tors. eta vs tors. theta energy: 24.916
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: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2358.643696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.643696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.643696 (E_RNA)
where:
Base-Base interactions energy: -1640.609
where: short stacking energy: -693.878
Base-Backbone interact. energy: 0.312
local terms energy: -718.346759
where:
bonds (distance) C4'-P energy: -144.960
bonds (distance) P-C4' energy: -129.543
flat angles C4'-P-C4' energy: -149.484
flat angles P-C4'-P energy: -102.817
tors. eta vs tors. theta energy: -191.543
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: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2274.171320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.171320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.171320 (E_RNA)
where:
Base-Base interactions energy: -1585.496
where: short stacking energy: -643.132
Base-Backbone interact. energy: -3.189
local terms energy: -685.485704
where:
bonds (distance) C4'-P energy: -117.583
bonds (distance) P-C4' energy: -130.343
flat angles C4'-P-C4' energy: -147.872
flat angles P-C4'-P energy: -97.661
tors. eta vs tors. theta energy: -192.027
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: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2172.424978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.424978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.424978 (E_RNA)
where:
Base-Base interactions energy: -1504.603
where: short stacking energy: -643.000
Base-Backbone interact. energy: -2.220
local terms energy: -665.602785
where:
bonds (distance) C4'-P energy: -116.565
bonds (distance) P-C4' energy: -112.257
flat angles C4'-P-C4' energy: -143.343
flat angles P-C4'-P energy: -103.567
tors. eta vs tors. theta energy: -189.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2071.196856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.196856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.196856 (E_RNA)
where:
Base-Base interactions energy: -1434.732
where: short stacking energy: -582.141
Base-Backbone interact. energy: -4.315
local terms energy: -632.150240
where:
bonds (distance) C4'-P energy: -105.375
bonds (distance) P-C4' energy: -128.861
flat angles C4'-P-C4' energy: -138.501
flat angles P-C4'-P energy: -90.097
tors. eta vs tors. theta energy: -169.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1923.112365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.112365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.112365 (E_RNA)
where:
Base-Base interactions energy: -1307.397
where: short stacking energy: -559.828
Base-Backbone interact. energy: 2.826
local terms energy: -618.541905
where:
bonds (distance) C4'-P energy: -113.721
bonds (distance) P-C4' energy: -121.598
flat angles C4'-P-C4' energy: -129.375
flat angles P-C4'-P energy: -96.135
tors. eta vs tors. theta energy: -157.713
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: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1729.447038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.447038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.447038 (E_RNA)
where:
Base-Base interactions energy: -1174.520
where: short stacking energy: -512.962
Base-Backbone interact. energy: 1.000
local terms energy: -555.926923
where:
bonds (distance) C4'-P energy: -109.285
bonds (distance) P-C4' energy: -118.587
flat angles C4'-P-C4' energy: -126.568
flat angles P-C4'-P energy: -73.174
tors. eta vs tors. theta energy: -128.313
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1488.666246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.666246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.666246 (E_RNA)
where:
Base-Base interactions energy: -978.384
where: short stacking energy: -419.705
Base-Backbone interact. energy: 1.586
local terms energy: -511.868713
where:
bonds (distance) C4'-P energy: -103.383
bonds (distance) P-C4' energy: -109.735
flat angles C4'-P-C4' energy: -132.571
flat angles P-C4'-P energy: -74.278
tors. eta vs tors. theta energy: -91.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1229.802579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.802579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.802579 (E_RNA)
where:
Base-Base interactions energy: -762.666
where: short stacking energy: -376.720
Base-Backbone interact. energy: 4.708
local terms energy: -471.845375
where:
bonds (distance) C4'-P energy: -101.573
bonds (distance) P-C4' energy: -136.072
flat angles C4'-P-C4' energy: -101.722
flat angles P-C4'-P energy: -61.777
tors. eta vs tors. theta energy: -70.701
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: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1020.387103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.387103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.387103 (E_RNA)
where:
Base-Base interactions energy: -584.180
where: short stacking energy: -300.484
Base-Backbone interact. energy: -3.699
local terms energy: -432.508483
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -116.120
flat angles C4'-P-C4' energy: -110.302
flat angles P-C4'-P energy: -63.858
tors. eta vs tors. theta energy: -47.953
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: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -715.766425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.766425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.766425 (E_RNA)
where:
Base-Base interactions energy: -344.658
where: short stacking energy: -184.506
Base-Backbone interact. energy: -2.063
local terms energy: -369.045577
where:
bonds (distance) C4'-P energy: -95.822
bonds (distance) P-C4' energy: -115.413
flat angles C4'-P-C4' energy: -109.074
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: 2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2313.985322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.985322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.985322 (E_RNA)
where:
Base-Base interactions energy: -1609.292
where: short stacking energy: -690.357
Base-Backbone interact. energy: -2.106
local terms energy: -702.587090
where:
bonds (distance) C4'-P energy: -135.593
bonds (distance) P-C4' energy: -134.003
flat angles C4'-P-C4' energy: -133.651
flat angles P-C4'-P energy: -109.839
tors. eta vs tors. theta energy: -189.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2277.518232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.518232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.518232 (E_RNA)
where:
Base-Base interactions energy: -1602.647
where: short stacking energy: -643.255
Base-Backbone interact. energy: -4.247
local terms energy: -670.623940
where:
bonds (distance) C4'-P energy: -118.141
bonds (distance) P-C4' energy: -129.122
flat angles C4'-P-C4' energy: -146.638
flat angles P-C4'-P energy: -95.924
tors. eta vs tors. theta energy: -180.800
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: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2160.174341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.174341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.174341 (E_RNA)
where:
Base-Base interactions energy: -1487.623
where: short stacking energy: -647.910
Base-Backbone interact. energy: 0.582
local terms energy: -673.132747
where:
bonds (distance) C4'-P energy: -112.017
bonds (distance) P-C4' energy: -138.417
flat angles C4'-P-C4' energy: -137.016
flat angles P-C4'-P energy: -92.191
tors. eta vs tors. theta energy: -193.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2073.601150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.601150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.601150 (E_RNA)
where:
Base-Base interactions energy: -1434.197
where: short stacking energy: -594.048
Base-Backbone interact. energy: -1.061
local terms energy: -638.342912
where:
bonds (distance) C4'-P energy: -128.741
bonds (distance) P-C4' energy: -111.456
flat angles C4'-P-C4' energy: -137.685
flat angles P-C4'-P energy: -82.980
tors. eta vs tors. theta energy: -177.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1927.364013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.364013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.364013 (E_RNA)
where:
Base-Base interactions energy: -1346.708
where: short stacking energy: -574.360
Base-Backbone interact. energy: 0.425
local terms energy: -581.081396
where:
bonds (distance) C4'-P energy: -108.787
bonds (distance) P-C4' energy: -111.417
flat angles C4'-P-C4' energy: -115.276
flat angles P-C4'-P energy: -81.312
tors. eta vs tors. theta energy: -164.289
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: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1735.124130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.124130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.124130 (E_RNA)
where:
Base-Base interactions energy: -1203.749
where: short stacking energy: -503.011
Base-Backbone interact. energy: -0.140
local terms energy: -531.234909
where:
bonds (distance) C4'-P energy: -95.866
bonds (distance) P-C4' energy: -111.370
flat angles C4'-P-C4' energy: -127.487
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -133.240
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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1472.145793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.145793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.145793 (E_RNA)
where:
Base-Base interactions energy: -963.668
where: short stacking energy: -435.479
Base-Backbone interact. energy: 0.764
local terms energy: -509.242197
where:
bonds (distance) C4'-P energy: -105.265
bonds (distance) P-C4' energy: -121.366
flat angles C4'-P-C4' energy: -123.072
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -96.017
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1234.627132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.627132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.627132 (E_RNA)
where:
Base-Base interactions energy: -774.710
where: short stacking energy: -363.466
Base-Backbone interact. energy: 0.821
local terms energy: -460.737741
where:
bonds (distance) C4'-P energy: -109.554
bonds (distance) P-C4' energy: -121.161
flat angles C4'-P-C4' energy: -94.337
flat angles P-C4'-P energy: -59.809
tors. eta vs tors. theta energy: -75.876
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: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -908.225037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.225037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.225037 (E_RNA)
where:
Base-Base interactions energy: -506.546
where: short stacking energy: -273.646
Base-Backbone interact. energy: -1.625
local terms energy: -400.053563
where:
bonds (distance) C4'-P energy: -112.666
bonds (distance) P-C4' energy: -120.345
flat angles C4'-P-C4' energy: -93.652
flat angles P-C4'-P energy: -58.507
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -665.228015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.228015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.228015 (E_RNA)
where:
Base-Base interactions energy: -298.437
where: short stacking energy: -192.471
Base-Backbone interact. energy: -2.267
local terms energy: -364.524814
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -102.239
flat angles C4'-P-C4' energy: -105.575
flat angles P-C4'-P energy: -56.770
tors. eta vs tors. theta energy: 4.951
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: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2341.193844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.193844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.193844 (E_RNA)
where:
Base-Base interactions energy: -1617.985
where: short stacking energy: -687.454
Base-Backbone interact. energy: -0.693
local terms energy: -722.515619
where:
bonds (distance) C4'-P energy: -130.602
bonds (distance) P-C4' energy: -129.333
flat angles C4'-P-C4' energy: -154.980
flat angles P-C4'-P energy: -105.527
tors. eta vs tors. theta energy: -202.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2270.325456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.325456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.325456 (E_RNA)
where:
Base-Base interactions energy: -1589.791
where: short stacking energy: -654.055
Base-Backbone interact. energy: -3.580
local terms energy: -676.954431
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -128.824
flat angles C4'-P-C4' energy: -145.147
flat angles P-C4'-P energy: -106.602
tors. eta vs tors. theta energy: -181.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2159.679045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.679045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.679045 (E_RNA)
where:
Base-Base interactions energy: -1481.116
where: short stacking energy: -629.100
Base-Backbone interact. energy: -0.637
local terms energy: -677.925665
where:
bonds (distance) C4'-P energy: -126.486
bonds (distance) P-C4' energy: -132.512
flat angles C4'-P-C4' energy: -143.092
flat angles P-C4'-P energy: -92.688
tors. eta vs tors. theta energy: -183.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2087.355015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.355015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.355015 (E_RNA)
where:
Base-Base interactions energy: -1459.946
where: short stacking energy: -611.688
Base-Backbone interact. energy: -0.525
local terms energy: -626.884485
where:
bonds (distance) C4'-P energy: -123.902
bonds (distance) P-C4' energy: -112.141
flat angles C4'-P-C4' energy: -132.844
flat angles P-C4'-P energy: -80.851
tors. eta vs tors. theta energy: -177.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1953.446234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.446234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.446234 (E_RNA)
where:
Base-Base interactions energy: -1348.109
where: short stacking energy: -551.111
Base-Backbone interact. energy: -0.977
local terms energy: -604.360763
where:
bonds (distance) C4'-P energy: -117.390
bonds (distance) P-C4' energy: -114.899
flat angles C4'-P-C4' energy: -124.050
flat angles P-C4'-P energy: -94.147
tors. eta vs tors. theta energy: -153.876
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: 303
Temperature: 1.150000
Total energy: -1762.369630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.369630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.369630 (E_RNA)
where:
Base-Base interactions energy: -1215.533
where: short stacking energy: -506.219
Base-Backbone interact. energy: -1.770
local terms energy: -545.065719
where:
bonds (distance) C4'-P energy: -117.554
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -125.926
flat angles P-C4'-P energy: -74.579
tors. eta vs tors. theta energy: -128.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1509.679764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.679764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.679764 (E_RNA)
where:
Base-Base interactions energy: -1007.404
where: short stacking energy: -432.578
Base-Backbone interact. energy: -1.938
local terms energy: -500.337720
where:
bonds (distance) C4'-P energy: -111.093
bonds (distance) P-C4' energy: -112.260
flat angles C4'-P-C4' energy: -103.046
flat angles P-C4'-P energy: -87.394
tors. eta vs tors. theta energy: -86.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1297.010161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.010161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.010161 (E_RNA)
where:
Base-Base interactions energy: -826.401
where: short stacking energy: -378.453
Base-Backbone interact. energy: -0.678
local terms energy: -469.930946
where:
bonds (distance) C4'-P energy: -98.062
bonds (distance) P-C4' energy: -113.332
flat angles C4'-P-C4' energy: -117.100
flat angles P-C4'-P energy: -64.732
tors. eta vs tors. theta energy: -76.705
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: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -903.228038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.228038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.228038 (E_RNA)
where:
Base-Base interactions energy: -529.085
where: short stacking energy: -248.500
Base-Backbone interact. energy: -1.483
local terms energy: -372.660436
where:
bonds (distance) C4'-P energy: -92.919
bonds (distance) P-C4' energy: -124.680
flat angles C4'-P-C4' energy: -85.877
flat angles P-C4'-P energy: -55.892
tors. eta vs tors. theta energy: -13.292
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: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -679.322286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.322286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.322286 (E_RNA)
where:
Base-Base interactions energy: -331.344
where: short stacking energy: -193.538
Base-Backbone interact. energy: 3.586
local terms energy: -351.564275
where:
bonds (distance) C4'-P energy: -97.303
bonds (distance) P-C4' energy: -103.703
flat angles C4'-P-C4' energy: -101.551
flat angles P-C4'-P energy: -44.621
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2354.299263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.299263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.299263 (E_RNA)
where:
Base-Base interactions energy: -1608.089
where: short stacking energy: -703.823
Base-Backbone interact. energy: 0.059
local terms energy: -746.268695
where:
bonds (distance) C4'-P energy: -126.226
bonds (distance) P-C4' energy: -149.014
flat angles C4'-P-C4' energy: -153.156
flat angles P-C4'-P energy: -109.583
tors. eta vs tors. theta energy: -208.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2259.790270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.790270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.790270 (E_RNA)
where:
Base-Base interactions energy: -1604.485
where: short stacking energy: -649.611
Base-Backbone interact. energy: -1.171
local terms energy: -654.134325
where:
bonds (distance) C4'-P energy: -130.274
bonds (distance) P-C4' energy: -116.071
flat angles C4'-P-C4' energy: -145.674
flat angles P-C4'-P energy: -90.911
tors. eta vs tors. theta energy: -171.204
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: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2183.601119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.601119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.601119 (E_RNA)
where:
Base-Base interactions energy: -1506.928
where: short stacking energy: -655.298
Base-Backbone interact. energy: -5.546
local terms energy: -671.126533
where:
bonds (distance) C4'-P energy: -109.374
bonds (distance) P-C4' energy: -138.481
flat angles C4'-P-C4' energy: -139.343
flat angles P-C4'-P energy: -97.648
tors. eta vs tors. theta energy: -186.281
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2076.191341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.191341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.191341 (E_RNA)
where:
Base-Base interactions energy: -1454.269
where: short stacking energy: -580.961
Base-Backbone interact. energy: -3.684
local terms energy: -618.238470
where:
bonds (distance) C4'-P energy: -116.904
bonds (distance) P-C4' energy: -118.694
flat angles C4'-P-C4' energy: -142.669
flat angles P-C4'-P energy: -77.236
tors. eta vs tors. theta energy: -162.736
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: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1932.625875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.625875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.625875 (E_RNA)
where:
Base-Base interactions energy: -1334.429
where: short stacking energy: -566.004
Base-Backbone interact. energy: -1.618
local terms energy: -596.578127
where:
bonds (distance) C4'-P energy: -108.644
bonds (distance) P-C4' energy: -120.637
flat angles C4'-P-C4' energy: -122.848
flat angles P-C4'-P energy: -79.964
tors. eta vs tors. theta energy: -164.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1779.734313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.734313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.734313 (E_RNA)
where:
Base-Base interactions energy: -1188.943
where: short stacking energy: -489.177
Base-Backbone interact. energy: 4.421
local terms energy: -595.211535
where:
bonds (distance) C4'-P energy: -113.387
bonds (distance) P-C4' energy: -124.471
flat angles C4'-P-C4' energy: -126.586
flat angles P-C4'-P energy: -99.749
tors. eta vs tors. theta energy: -131.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1548.196192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.196192 (E_RNA)
where:
Base-Base interactions energy: -1045.859
where: short stacking energy: -455.379
Base-Backbone interact. energy: -0.344
local terms energy: -501.992835
where:
bonds (distance) C4'-P energy: -101.869
bonds (distance) P-C4' energy: -104.875
flat angles C4'-P-C4' energy: -123.126
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -93.135
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: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1213.026980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.026980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.026980 (E_RNA)
where:
Base-Base interactions energy: -779.163
where: short stacking energy: -356.295
Base-Backbone interact. energy: 0.490
local terms energy: -434.353966
where:
bonds (distance) C4'-P energy: -73.273
bonds (distance) P-C4' energy: -129.765
flat angles C4'-P-C4' energy: -105.620
flat angles P-C4'-P energy: -67.703
tors. eta vs tors. theta energy: -57.993
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: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -950.059390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.059390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.059390 (E_RNA)
where:
Base-Base interactions energy: -547.402
where: short stacking energy: -298.225
Base-Backbone interact. energy: 6.472
local terms energy: -409.128588
where:
bonds (distance) C4'-P energy: -104.912
bonds (distance) P-C4' energy: -127.572
flat angles C4'-P-C4' energy: -89.160
flat angles P-C4'-P energy: -57.893
tors. eta vs tors. theta energy: -29.591
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: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -665.663976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.663976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.663976 (E_RNA)
where:
Base-Base interactions energy: -323.300
where: short stacking energy: -188.050
Base-Backbone interact. energy: 2.204
local terms energy: -344.568337
where:
bonds (distance) C4'-P energy: -118.132
bonds (distance) P-C4' energy: -106.403
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: 3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2330.497683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.497683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.497683 (E_RNA)
where:
Base-Base interactions energy: -1589.280
where: short stacking energy: -702.899
Base-Backbone interact. energy: -3.455
local terms energy: -737.762697
where:
bonds (distance) C4'-P energy: -141.521
bonds (distance) P-C4' energy: -132.665
flat angles C4'-P-C4' energy: -153.662
flat angles P-C4'-P energy: -104.008
tors. eta vs tors. theta energy: -205.907
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: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2314.713404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.713404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.713404 (E_RNA)
where:
Base-Base interactions energy: -1634.009
where: short stacking energy: -637.245
Base-Backbone interact. energy: -4.836
local terms energy: -675.868343
where:
bonds (distance) C4'-P energy: -108.574
bonds (distance) P-C4' energy: -131.979
flat angles C4'-P-C4' energy: -145.353
flat angles P-C4'-P energy: -98.137
tors. eta vs tors. theta energy: -191.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2169.352453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.352453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.352453 (E_RNA)
where:
Base-Base interactions energy: -1524.114
where: short stacking energy: -642.347
Base-Backbone interact. energy: -2.292
local terms energy: -642.946106
where:
bonds (distance) C4'-P energy: -112.501
bonds (distance) P-C4' energy: -113.030
flat angles C4'-P-C4' energy: -139.312
flat angles P-C4'-P energy: -88.495
tors. eta vs tors. theta energy: -189.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2067.253779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.253779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.253779 (E_RNA)
where:
Base-Base interactions energy: -1429.236
where: short stacking energy: -584.579
Base-Backbone interact. energy: -0.741
local terms energy: -637.276933
where:
bonds (distance) C4'-P energy: -136.861
bonds (distance) P-C4' energy: -109.642
flat angles C4'-P-C4' energy: -135.387
flat angles P-C4'-P energy: -94.144
tors. eta vs tors. theta energy: -161.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1961.699089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.699089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.699089 (E_RNA)
where:
Base-Base interactions energy: -1349.231
where: short stacking energy: -581.062
Base-Backbone interact. energy: -2.792
local terms energy: -609.676412
where:
bonds (distance) C4'-P energy: -95.128
bonds (distance) P-C4' energy: -126.200
flat angles C4'-P-C4' energy: -141.753
flat angles P-C4'-P energy: -83.368
tors. eta vs tors. theta energy: -163.227
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: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1716.946982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.946982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.946982 (E_RNA)
where:
Base-Base interactions energy: -1192.462
where: short stacking energy: -474.700
Base-Backbone interact. energy: -0.946
local terms energy: -523.538437
where:
bonds (distance) C4'-P energy: -102.064
bonds (distance) P-C4' energy: -111.784
flat angles C4'-P-C4' energy: -115.530
flat angles P-C4'-P energy: -68.437
tors. eta vs tors. theta energy: -125.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1469.851554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.851554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.851554 (E_RNA)
where:
Base-Base interactions energy: -1001.486
where: short stacking energy: -449.609
Base-Backbone interact. energy: 0.395
local terms energy: -468.760784
where:
bonds (distance) C4'-P energy: -96.076
bonds (distance) P-C4' energy: -72.422
flat angles C4'-P-C4' energy: -117.053
flat angles P-C4'-P energy: -71.071
tors. eta vs tors. theta energy: -112.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1166.852309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.852309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.852309 (E_RNA)
where:
Base-Base interactions energy: -718.672
where: short stacking energy: -342.658
Base-Backbone interact. energy: -1.638
local terms energy: -446.543231
where:
bonds (distance) C4'-P energy: -117.571
bonds (distance) P-C4' energy: -120.242
flat angles C4'-P-C4' energy: -94.135
flat angles P-C4'-P energy: -62.738
tors. eta vs tors. theta energy: -51.858
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: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -896.944421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.944421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.944421 (E_RNA)
where:
Base-Base interactions energy: -500.252
where: short stacking energy: -258.498
Base-Backbone interact. energy: -1.933
local terms energy: -394.759461
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -123.492
flat angles C4'-P-C4' energy: -95.809
flat angles P-C4'-P energy: -54.636
tors. eta vs tors. theta energy: -26.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -666.025466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.025466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.025466 (E_RNA)
where:
Base-Base interactions energy: -337.056
where: short stacking energy: -219.400
Base-Backbone interact. energy: 8.448
local terms energy: -337.417339
where:
bonds (distance) C4'-P energy: -101.742
bonds (distance) P-C4' energy: -93.130
flat angles C4'-P-C4' energy: -100.229
flat angles P-C4'-P energy: -50.888
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: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2360.020390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.020390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.020390 (E_RNA)
where:
Base-Base interactions energy: -1646.801
where: short stacking energy: -678.977
Base-Backbone interact. energy: -3.477
local terms energy: -709.742505
where:
bonds (distance) C4'-P energy: -121.771
bonds (distance) P-C4' energy: -143.506
flat angles C4'-P-C4' energy: -150.074
flat angles P-C4'-P energy: -102.251
tors. eta vs tors. theta energy: -192.141
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: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2279.168309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.168309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.168309 (E_RNA)
where:
Base-Base interactions energy: -1622.774
where: short stacking energy: -622.120
Base-Backbone interact. energy: 0.688
local terms energy: -657.082873
where:
bonds (distance) C4'-P energy: -119.269
bonds (distance) P-C4' energy: -114.518
flat angles C4'-P-C4' energy: -151.823
flat angles P-C4'-P energy: -100.282
tors. eta vs tors. theta energy: -171.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2184.852521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.852521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.852521 (E_RNA)
where:
Base-Base interactions energy: -1505.134
where: short stacking energy: -655.427
Base-Backbone interact. energy: -5.388
local terms energy: -674.330755
where:
bonds (distance) C4'-P energy: -127.726
bonds (distance) P-C4' energy: -113.006
flat angles C4'-P-C4' energy: -145.818
flat angles P-C4'-P energy: -93.477
tors. eta vs tors. theta energy: -194.304
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: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2083.739533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.739533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.739533 (E_RNA)
where:
Base-Base interactions energy: -1452.795
where: short stacking energy: -584.874
Base-Backbone interact. energy: -3.023
local terms energy: -627.921325
where:
bonds (distance) C4'-P energy: -114.874
bonds (distance) P-C4' energy: -118.865
flat angles C4'-P-C4' energy: -141.148
flat angles P-C4'-P energy: -84.587
tors. eta vs tors. theta energy: -168.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1932.159718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.159718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.159718 (E_RNA)
where:
Base-Base interactions energy: -1351.155
where: short stacking energy: -592.296
Base-Backbone interact. energy: 0.435
local terms energy: -581.440027
where:
bonds (distance) C4'-P energy: -100.228
bonds (distance) P-C4' energy: -108.624
flat angles C4'-P-C4' energy: -125.978
flat angles P-C4'-P energy: -79.549
tors. eta vs tors. theta energy: -167.061
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: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1632.330658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.330658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.330658 (E_RNA)
where:
Base-Base interactions energy: -1088.381
where: short stacking energy: -495.488
Base-Backbone interact. energy: -2.648
local terms energy: -541.301375
where:
bonds (distance) C4'-P energy: -101.286
bonds (distance) P-C4' energy: -121.370
flat angles C4'-P-C4' energy: -136.925
flat angles P-C4'-P energy: -59.984
tors. eta vs tors. theta energy: -121.736
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: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1470.389886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.389886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.389886 (E_RNA)
where:
Base-Base interactions energy: -999.216
where: short stacking energy: -418.544
Base-Backbone interact. energy: 0.334
local terms energy: -471.508042
where:
bonds (distance) C4'-P energy: -87.692
bonds (distance) P-C4' energy: -109.247
flat angles C4'-P-C4' energy: -118.129
flat angles P-C4'-P energy: -74.311
tors. eta vs tors. theta energy: -82.129
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1150.475306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.475306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.475306 (E_RNA)
where:
Base-Base interactions energy: -722.157
where: short stacking energy: -351.979
Base-Backbone interact. energy: 2.934
local terms energy: -431.252427
where:
bonds (distance) C4'-P energy: -105.331
bonds (distance) P-C4' energy: -108.832
flat angles C4'-P-C4' energy: -108.369
flat angles P-C4'-P energy: -60.836
tors. eta vs tors. theta energy: -47.885
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: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -838.123265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.123265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.123265 (E_RNA)
where:
Base-Base interactions energy: -459.159
where: short stacking energy: -243.813
Base-Backbone interact. energy: -3.320
local terms energy: -375.644179
where:
bonds (distance) C4'-P energy: -90.864
bonds (distance) P-C4' energy: -116.912
flat angles C4'-P-C4' energy: -109.292
flat angles P-C4'-P energy: -48.531
tors. eta vs tors. theta energy: -10.046
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: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -818.037592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.037592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.037592 (E_RNA)
where:
Base-Base interactions energy: -447.834
where: short stacking energy: -233.022
Base-Backbone interact. energy: -0.307
local terms energy: -369.897153
where:
bonds (distance) C4'-P energy: -98.097
bonds (distance) P-C4' energy: -124.917
flat angles C4'-P-C4' energy: -102.736
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2350.931612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.931612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.931612 (E_RNA)
where:
Base-Base interactions energy: -1645.835
where: short stacking energy: -680.225
Base-Backbone interact. energy: -3.324
local terms energy: -701.772923
where:
bonds (distance) C4'-P energy: -121.552
bonds (distance) P-C4' energy: -124.514
flat angles C4'-P-C4' energy: -162.132
flat angles P-C4'-P energy: -98.249
tors. eta vs tors. theta energy: -195.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2261.980116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.980116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.980116 (E_RNA)
where:
Base-Base interactions energy: -1586.909
where: short stacking energy: -625.415
Base-Backbone interact. energy: -6.392
local terms energy: -668.678248
where:
bonds (distance) C4'-P energy: -117.530
bonds (distance) P-C4' energy: -136.723
flat angles C4'-P-C4' energy: -138.719
flat angles P-C4'-P energy: -101.679
tors. eta vs tors. theta energy: -174.027
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: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2181.982571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.982571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.982571 (E_RNA)
where:
Base-Base interactions energy: -1492.198
where: short stacking energy: -650.776
Base-Backbone interact. energy: -3.051
local terms energy: -686.733649
where:
bonds (distance) C4'-P energy: -133.412
bonds (distance) P-C4' energy: -119.768
flat angles C4'-P-C4' energy: -134.611
flat angles P-C4'-P energy: -105.322
tors. eta vs tors. theta energy: -193.621
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: 307
Temperature: 1.050000
Total energy: -2050.219836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.219836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.219836 (E_RNA)
where:
Base-Base interactions energy: -1413.465
where: short stacking energy: -595.963
Base-Backbone interact. energy: -0.713
local terms energy: -636.042067
where:
bonds (distance) C4'-P energy: -116.103
bonds (distance) P-C4' energy: -131.156
flat angles C4'-P-C4' energy: -132.582
flat angles P-C4'-P energy: -86.494
tors. eta vs tors. theta energy: -169.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1963.956433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.956433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.956433 (E_RNA)
where:
Base-Base interactions energy: -1331.285
where: short stacking energy: -590.397
Base-Backbone interact. energy: -3.143
local terms energy: -629.527769
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -134.275
flat angles C4'-P-C4' energy: -121.365
flat angles P-C4'-P energy: -87.984
tors. eta vs tors. theta energy: -175.154
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: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1629.053542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.053542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.053542 (E_RNA)
where:
Base-Base interactions energy: -1092.935
where: short stacking energy: -455.525
Base-Backbone interact. energy: -0.181
local terms energy: -535.938382
where:
bonds (distance) C4'-P energy: -116.099
bonds (distance) P-C4' energy: -119.014
flat angles C4'-P-C4' energy: -130.069
flat angles P-C4'-P energy: -71.143
tors. eta vs tors. theta energy: -99.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1517.902880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.902880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.902880 (E_RNA)
where:
Base-Base interactions energy: -1000.669
where: short stacking energy: -429.773
Base-Backbone interact. energy: 0.953
local terms energy: -518.186677
where:
bonds (distance) C4'-P energy: -107.445
bonds (distance) P-C4' energy: -118.277
flat angles C4'-P-C4' energy: -128.025
flat angles P-C4'-P energy: -83.263
tors. eta vs tors. theta energy: -81.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1218.198931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.198931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.198931 (E_RNA)
where:
Base-Base interactions energy: -759.096
where: short stacking energy: -334.526
Base-Backbone interact. energy: 2.994
local terms energy: -462.097256
where:
bonds (distance) C4'-P energy: -115.711
bonds (distance) P-C4' energy: -102.769
flat angles C4'-P-C4' energy: -115.388
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -55.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -842.607836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.607836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.607836 (E_RNA)
where:
Base-Base interactions energy: -450.953
where: short stacking energy: -243.621
Base-Backbone interact. energy: -0.722
local terms energy: -390.932747
where:
bonds (distance) C4'-P energy: -106.681
bonds (distance) P-C4' energy: -104.785
flat angles C4'-P-C4' energy: -109.011
flat angles P-C4'-P energy: -69.031
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: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -802.292810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.292810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.292810 (E_RNA)
where:
Base-Base interactions energy: -431.396
where: short stacking energy: -220.740
Base-Backbone interact. energy: 2.894
local terms energy: -373.790102
where:
bonds (distance) C4'-P energy: -99.354
bonds (distance) P-C4' energy: -133.492
flat angles C4'-P-C4' energy: -87.738
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2364.778714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.778714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.778714 (E_RNA)
where:
Base-Base interactions energy: -1650.255
where: short stacking energy: -699.123
Base-Backbone interact. energy: 1.988
local terms energy: -716.511772
where:
bonds (distance) C4'-P energy: -117.221
bonds (distance) P-C4' energy: -125.711
flat angles C4'-P-C4' energy: -159.691
flat angles P-C4'-P energy: -97.182
tors. eta vs tors. theta energy: -216.706
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: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2277.843829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.843829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.843829 (E_RNA)
where:
Base-Base interactions energy: -1606.240
where: short stacking energy: -640.959
Base-Backbone interact. energy: -5.751
local terms energy: -665.852979
where:
bonds (distance) C4'-P energy: -125.345
bonds (distance) P-C4' energy: -135.316
flat angles C4'-P-C4' energy: -140.021
flat angles P-C4'-P energy: -87.737
tors. eta vs tors. theta energy: -177.434
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: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2130.965702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.965702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.965702 (E_RNA)
where:
Base-Base interactions energy: -1460.068
where: short stacking energy: -647.086
Base-Backbone interact. energy: -3.914
local terms energy: -666.983244
where:
bonds (distance) C4'-P energy: -120.924
bonds (distance) P-C4' energy: -114.792
flat angles C4'-P-C4' energy: -134.053
flat angles P-C4'-P energy: -102.223
tors. eta vs tors. theta energy: -194.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2078.191076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.191076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.191076 (E_RNA)
where:
Base-Base interactions energy: -1429.284
where: short stacking energy: -599.451
Base-Backbone interact. energy: 4.196
local terms energy: -653.104023
where:
bonds (distance) C4'-P energy: -120.377
bonds (distance) P-C4' energy: -123.582
flat angles C4'-P-C4' energy: -143.229
flat angles P-C4'-P energy: -98.150
tors. eta vs tors. theta energy: -167.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1911.755422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.755422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.755422 (E_RNA)
where:
Base-Base interactions energy: -1313.010
where: short stacking energy: -563.264
Base-Backbone interact. energy: 0.259
local terms energy: -599.004427
where:
bonds (distance) C4'-P energy: -110.704
bonds (distance) P-C4' energy: -115.410
flat angles C4'-P-C4' energy: -126.175
flat angles P-C4'-P energy: -85.223
tors. eta vs tors. theta energy: -161.493
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: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1704.251826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.251826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.251826 (E_RNA)
where:
Base-Base interactions energy: -1150.100
where: short stacking energy: -500.593
Base-Backbone interact. energy: -6.798
local terms energy: -547.354138
where:
bonds (distance) C4'-P energy: -108.003
bonds (distance) P-C4' energy: -124.524
flat angles C4'-P-C4' energy: -117.432
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -118.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1447.377682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.377682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.377682 (E_RNA)
where:
Base-Base interactions energy: -952.638
where: short stacking energy: -437.435
Base-Backbone interact. energy: 6.383
local terms energy: -501.122329
where:
bonds (distance) C4'-P energy: -105.354
bonds (distance) P-C4' energy: -114.157
flat angles C4'-P-C4' energy: -115.595
flat angles P-C4'-P energy: -77.417
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: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1202.342681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.342681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.342681 (E_RNA)
where:
Base-Base interactions energy: -731.254
where: short stacking energy: -330.852
Base-Backbone interact. energy: -3.882
local terms energy: -467.206997
where:
bonds (distance) C4'-P energy: -107.753
bonds (distance) P-C4' energy: -126.204
flat angles C4'-P-C4' energy: -117.965
flat angles P-C4'-P energy: -68.651
tors. eta vs tors. theta energy: -46.634
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: 3
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -815.670440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.670440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.670440 (E_RNA)
where:
Base-Base interactions energy: -411.902
where: short stacking energy: -244.462
Base-Backbone interact. energy: -2.201
local terms energy: -401.566751
where:
bonds (distance) C4'-P energy: -104.178
bonds (distance) P-C4' energy: -109.894
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -68.243
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -762.461768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.461768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.461768 (E_RNA)
where:
Base-Base interactions energy: -393.066
where: short stacking energy: -190.803
Base-Backbone interact. energy: -0.339
local terms energy: -369.056870
where:
bonds (distance) C4'-P energy: -110.942
bonds (distance) P-C4' energy: -117.113
flat angles C4'-P-C4' energy: -86.739
flat angles P-C4'-P energy: -56.964
tors. eta vs tors. theta energy: 2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2349.214525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.214525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.214525 (E_RNA)
where:
Base-Base interactions energy: -1601.774
where: short stacking energy: -695.514
Base-Backbone interact. energy: -5.994
local terms energy: -741.445691
where:
bonds (distance) C4'-P energy: -135.889
bonds (distance) P-C4' energy: -137.142
flat angles C4'-P-C4' energy: -161.206
flat angles P-C4'-P energy: -110.099
tors. eta vs tors. theta energy: -197.110
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: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2289.168627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.168627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.168627 (E_RNA)
where:
Base-Base interactions energy: -1610.041
where: short stacking energy: -635.018
Base-Backbone interact. energy: -2.067
local terms energy: -677.060094
where:
bonds (distance) C4'-P energy: -131.188
bonds (distance) P-C4' energy: -128.131
flat angles C4'-P-C4' energy: -138.612
flat angles P-C4'-P energy: -102.041
tors. eta vs tors. theta energy: -177.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2150.956181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.956181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.956181 (E_RNA)
where:
Base-Base interactions energy: -1459.541
where: short stacking energy: -629.307
Base-Backbone interact. energy: -2.357
local terms energy: -689.058474
where:
bonds (distance) C4'-P energy: -129.206
bonds (distance) P-C4' energy: -143.695
flat angles C4'-P-C4' energy: -133.372
flat angles P-C4'-P energy: -93.380
tors. eta vs tors. theta energy: -189.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2048.506753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.506753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.506753 (E_RNA)
where:
Base-Base interactions energy: -1431.606
where: short stacking energy: -568.200
Base-Backbone interact. energy: -2.969
local terms energy: -613.931846
where:
bonds (distance) C4'-P energy: -107.316
bonds (distance) P-C4' energy: -128.508
flat angles C4'-P-C4' energy: -130.613
flat angles P-C4'-P energy: -89.496
tors. eta vs tors. theta energy: -157.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1929.329499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.329499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.329499 (E_RNA)
where:
Base-Base interactions energy: -1317.100
where: short stacking energy: -573.109
Base-Backbone interact. energy: -2.316
local terms energy: -609.913657
where:
bonds (distance) C4'-P energy: -122.134
bonds (distance) P-C4' energy: -122.410
flat angles C4'-P-C4' energy: -128.448
flat angles P-C4'-P energy: -80.122
tors. eta vs tors. theta energy: -156.800
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: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1715.945810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.945810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.945810 (E_RNA)
where:
Base-Base interactions energy: -1194.259
where: short stacking energy: -526.958
Base-Backbone interact. energy: -3.752
local terms energy: -517.934585
where:
bonds (distance) C4'-P energy: -99.208
bonds (distance) P-C4' energy: -106.376
flat angles C4'-P-C4' energy: -117.784
flat angles P-C4'-P energy: -69.865
tors. eta vs tors. theta energy: -124.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1471.935749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.935749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.935749 (E_RNA)
where:
Base-Base interactions energy: -964.238
where: short stacking energy: -431.312
Base-Backbone interact. energy: -2.745
local terms energy: -504.952640
where:
bonds (distance) C4'-P energy: -95.674
bonds (distance) P-C4' energy: -121.979
flat angles C4'-P-C4' energy: -114.393
flat angles P-C4'-P energy: -86.722
tors. eta vs tors. theta energy: -86.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1193.081029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.081029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.081029 (E_RNA)
where:
Base-Base interactions energy: -732.890
where: short stacking energy: -376.424
Base-Backbone interact. energy: -4.459
local terms energy: -455.732070
where:
bonds (distance) C4'-P energy: -97.941
bonds (distance) P-C4' energy: -101.218
flat angles C4'-P-C4' energy: -111.640
flat angles P-C4'-P energy: -73.160
tors. eta vs tors. theta energy: -71.773
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: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -818.380442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.380442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.380442 (E_RNA)
where:
Base-Base interactions energy: -397.165
where: short stacking energy: -218.542
Base-Backbone interact. energy: -0.778
local terms energy: -420.438152
where:
bonds (distance) C4'-P energy: -100.653
bonds (distance) P-C4' energy: -115.650
flat angles C4'-P-C4' energy: -111.098
flat angles P-C4'-P energy: -67.771
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -747.944418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.944418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.944418 (E_RNA)
where:
Base-Base interactions energy: -383.742
where: short stacking energy: -216.563
Base-Backbone interact. energy: 2.730
local terms energy: -366.932559
where:
bonds (distance) C4'-P energy: -106.102
bonds (distance) P-C4' energy: -104.114
flat angles C4'-P-C4' energy: -88.269
flat angles P-C4'-P energy: -67.567
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2343.460056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.460056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.460056 (E_RNA)
where:
Base-Base interactions energy: -1624.239
where: short stacking energy: -694.924
Base-Backbone interact. energy: -3.893
local terms energy: -715.327946
where:
bonds (distance) C4'-P energy: -119.851
bonds (distance) P-C4' energy: -136.396
flat angles C4'-P-C4' energy: -157.413
flat angles P-C4'-P energy: -96.050
tors. eta vs tors. theta energy: -205.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2326.565569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.565569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.565569 (E_RNA)
where:
Base-Base interactions energy: -1644.027
where: short stacking energy: -643.349
Base-Backbone interact. energy: -7.104
local terms energy: -675.435198
where:
bonds (distance) C4'-P energy: -129.431
bonds (distance) P-C4' energy: -117.016
flat angles C4'-P-C4' energy: -151.766
flat angles P-C4'-P energy: -103.291
tors. eta vs tors. theta energy: -173.932
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: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2171.069065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.069065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.069065 (E_RNA)
where:
Base-Base interactions energy: -1500.345
where: short stacking energy: -650.163
Base-Backbone interact. energy: -3.743
local terms energy: -666.980658
where:
bonds (distance) C4'-P energy: -111.789
bonds (distance) P-C4' energy: -129.771
flat angles C4'-P-C4' energy: -134.251
flat angles P-C4'-P energy: -96.374
tors. eta vs tors. theta energy: -194.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2043.806213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.806213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.806213 (E_RNA)
where:
Base-Base interactions energy: -1398.965
where: short stacking energy: -546.013
Base-Backbone interact. energy: -2.525
local terms energy: -642.315942
where:
bonds (distance) C4'-P energy: -128.088
bonds (distance) P-C4' energy: -129.140
flat angles C4'-P-C4' energy: -132.525
flat angles P-C4'-P energy: -89.036
tors. eta vs tors. theta energy: -163.526
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1945.786497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.786497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.786497 (E_RNA)
where:
Base-Base interactions energy: -1346.644
where: short stacking energy: -579.568
Base-Backbone interact. energy: -1.451
local terms energy: -597.691707
where:
bonds (distance) C4'-P energy: -115.557
bonds (distance) P-C4' energy: -112.246
flat angles C4'-P-C4' energy: -122.735
flat angles P-C4'-P energy: -80.612
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: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1714.805822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.805822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.805822 (E_RNA)
where:
Base-Base interactions energy: -1146.750
where: short stacking energy: -481.992
Base-Backbone interact. energy: 0.522
local terms energy: -568.577891
where:
bonds (distance) C4'-P energy: -115.996
bonds (distance) P-C4' energy: -125.953
flat angles C4'-P-C4' energy: -122.545
flat angles P-C4'-P energy: -81.433
tors. eta vs tors. theta energy: -122.650
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1497.094579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.094579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.094579 (E_RNA)
where:
Base-Base interactions energy: -969.436
where: short stacking energy: -436.263
Base-Backbone interact. energy: -3.280
local terms energy: -524.378892
where:
bonds (distance) C4'-P energy: -121.154
bonds (distance) P-C4' energy: -111.015
flat angles C4'-P-C4' energy: -124.861
flat angles P-C4'-P energy: -74.209
tors. eta vs tors. theta energy: -93.141
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1170.315904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.315904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.315904 (E_RNA)
where:
Base-Base interactions energy: -685.569
where: short stacking energy: -317.227
Base-Backbone interact. energy: 1.155
local terms energy: -485.901761
where:
bonds (distance) C4'-P energy: -119.395
bonds (distance) P-C4' energy: -121.732
flat angles C4'-P-C4' energy: -126.569
flat angles P-C4'-P energy: -62.868
tors. eta vs tors. theta energy: -55.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -871.180109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.180109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.180109 (E_RNA)
where:
Base-Base interactions energy: -503.010
where: short stacking energy: -267.286
Base-Backbone interact. energy: 3.811
local terms energy: -371.980412
where:
bonds (distance) C4'-P energy: -100.737
bonds (distance) P-C4' energy: -95.593
flat angles C4'-P-C4' energy: -88.828
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -29.475
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: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -771.770057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.770057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.770057 (E_RNA)
where:
Base-Base interactions energy: -390.154
where: short stacking energy: -237.765
Base-Backbone interact. energy: 4.130
local terms energy: -385.745267
where:
bonds (distance) C4'-P energy: -109.238
bonds (distance) P-C4' energy: -114.710
flat angles C4'-P-C4' energy: -97.563
flat angles P-C4'-P energy: -57.240
tors. eta vs tors. theta energy: -6.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2320.397747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.397747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.397747 (E_RNA)
where:
Base-Base interactions energy: -1603.002
where: short stacking energy: -670.068
Base-Backbone interact. energy: -2.874
local terms energy: -714.521889
where:
bonds (distance) C4'-P energy: -146.918
bonds (distance) P-C4' energy: -135.002
flat angles C4'-P-C4' energy: -143.355
flat angles P-C4'-P energy: -94.742
tors. eta vs tors. theta energy: -194.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2283.949352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.949352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.949352 (E_RNA)
where:
Base-Base interactions energy: -1631.179
where: short stacking energy: -639.174
Base-Backbone interact. energy: -1.651
local terms energy: -651.118846
where:
bonds (distance) C4'-P energy: -117.643
bonds (distance) P-C4' energy: -129.927
flat angles C4'-P-C4' energy: -134.922
flat angles P-C4'-P energy: -100.421
tors. eta vs tors. theta energy: -168.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2123.943632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.943632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.943632 (E_RNA)
where:
Base-Base interactions energy: -1478.425
where: short stacking energy: -646.909
Base-Backbone interact. energy: 0.307
local terms energy: -645.825748
where:
bonds (distance) C4'-P energy: -122.031
bonds (distance) P-C4' energy: -119.350
flat angles C4'-P-C4' energy: -131.363
flat angles P-C4'-P energy: -100.118
tors. eta vs tors. theta energy: -172.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2053.244774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.244774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.244774 (E_RNA)
where:
Base-Base interactions energy: -1420.892
where: short stacking energy: -577.583
Base-Backbone interact. energy: -2.612
local terms energy: -629.741004
where:
bonds (distance) C4'-P energy: -119.652
bonds (distance) P-C4' energy: -125.862
flat angles C4'-P-C4' energy: -135.267
flat angles P-C4'-P energy: -89.835
tors. eta vs tors. theta energy: -159.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1991.611570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.611570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.611570 (E_RNA)
where:
Base-Base interactions energy: -1381.716
where: short stacking energy: -569.523
Base-Backbone interact. energy: -0.128
local terms energy: -609.767547
where:
bonds (distance) C4'-P energy: -116.786
bonds (distance) P-C4' energy: -115.870
flat angles C4'-P-C4' energy: -127.244
flat angles P-C4'-P energy: -84.702
tors. eta vs tors. theta energy: -165.165
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: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1715.283767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.283767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.283767 (E_RNA)
where:
Base-Base interactions energy: -1130.855
where: short stacking energy: -518.023
Base-Backbone interact. energy: -1.039
local terms energy: -583.390115
where:
bonds (distance) C4'-P energy: -123.183
bonds (distance) P-C4' energy: -125.023
flat angles C4'-P-C4' energy: -128.835
flat angles P-C4'-P energy: -77.799
tors. eta vs tors. theta energy: -128.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1447.664590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.664590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.664590 (E_RNA)
where:
Base-Base interactions energy: -960.974
where: short stacking energy: -439.485
Base-Backbone interact. energy: -2.469
local terms energy: -484.221996
where:
bonds (distance) C4'-P energy: -103.453
bonds (distance) P-C4' energy: -126.944
flat angles C4'-P-C4' energy: -103.873
flat angles P-C4'-P energy: -70.347
tors. eta vs tors. theta energy: -79.605
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: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1219.294051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.294051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.294051 (E_RNA)
where:
Base-Base interactions energy: -758.118
where: short stacking energy: -357.504
Base-Backbone interact. energy: -3.376
local terms energy: -457.799337
where:
bonds (distance) C4'-P energy: -102.155
bonds (distance) P-C4' energy: -115.696
flat angles C4'-P-C4' energy: -115.809
flat angles P-C4'-P energy: -58.847
tors. eta vs tors. theta energy: -65.292
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: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -859.427984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.427984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.427984 (E_RNA)
where:
Base-Base interactions energy: -457.634
where: short stacking energy: -239.344
Base-Backbone interact. energy: 0.271
local terms energy: -402.064924
where:
bonds (distance) C4'-P energy: -106.412
bonds (distance) P-C4' energy: -105.505
flat angles C4'-P-C4' energy: -103.292
flat angles P-C4'-P energy: -53.731
tors. eta vs tors. theta energy: -33.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -842.541498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.541498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.541498 (E_RNA)
where:
Base-Base interactions energy: -449.594
where: short stacking energy: -259.937
Base-Backbone interact. energy: -0.097
local terms energy: -392.850339
where:
bonds (distance) C4'-P energy: -99.045
bonds (distance) P-C4' energy: -109.429
flat angles C4'-P-C4' energy: -108.202
flat angles P-C4'-P energy: -47.938
tors. eta vs tors. theta energy: -28.236
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: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2315.059766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.059766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.059766 (E_RNA)
where:
Base-Base interactions energy: -1589.755
where: short stacking energy: -666.741
Base-Backbone interact. energy: -4.070
local terms energy: -721.234318
where:
bonds (distance) C4'-P energy: -126.614
bonds (distance) P-C4' energy: -139.050
flat angles C4'-P-C4' energy: -160.571
flat angles P-C4'-P energy: -99.851
tors. eta vs tors. theta energy: -195.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2266.862864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.862864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.862864 (E_RNA)
where:
Base-Base interactions energy: -1594.744
where: short stacking energy: -644.296
Base-Backbone interact. energy: -2.840
local terms energy: -669.279266
where:
bonds (distance) C4'-P energy: -122.195
bonds (distance) P-C4' energy: -122.462
flat angles C4'-P-C4' energy: -141.963
flat angles P-C4'-P energy: -103.901
tors. eta vs tors. theta energy: -178.757
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: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2127.493402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.493402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.493402 (E_RNA)
where:
Base-Base interactions energy: -1460.242
where: short stacking energy: -610.851
Base-Backbone interact. energy: -6.023
local terms energy: -661.228434
where:
bonds (distance) C4'-P energy: -130.142
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -139.621
flat angles P-C4'-P energy: -83.702
tors. eta vs tors. theta energy: -181.326
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: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2090.097394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.097394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.097394 (E_RNA)
where:
Base-Base interactions energy: -1447.092
where: short stacking energy: -601.376
Base-Backbone interact. energy: 0.899
local terms energy: -643.903686
where:
bonds (distance) C4'-P energy: -125.054
bonds (distance) P-C4' energy: -120.956
flat angles C4'-P-C4' energy: -134.459
flat angles P-C4'-P energy: -87.469
tors. eta vs tors. theta energy: -175.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1969.142435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.142435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.142435 (E_RNA)
where:
Base-Base interactions energy: -1364.032
where: short stacking energy: -567.898
Base-Backbone interact. energy: -2.206
local terms energy: -602.904465
where:
bonds (distance) C4'-P energy: -104.404
bonds (distance) P-C4' energy: -115.036
flat angles C4'-P-C4' energy: -130.966
flat angles P-C4'-P energy: -77.512
tors. eta vs tors. theta energy: -174.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1711.504072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.504072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.504072 (E_RNA)
where:
Base-Base interactions energy: -1175.959
where: short stacking energy: -506.897
Base-Backbone interact. energy: 0.544
local terms energy: -536.088532
where:
bonds (distance) C4'-P energy: -97.143
bonds (distance) P-C4' energy: -104.920
flat angles C4'-P-C4' energy: -129.153
flat angles P-C4'-P energy: -77.964
tors. eta vs tors. theta energy: -126.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1524.339630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.339630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.339630 (E_RNA)
where:
Base-Base interactions energy: -1010.744
where: short stacking energy: -437.712
Base-Backbone interact. energy: -2.190
local terms energy: -511.405744
where:
bonds (distance) C4'-P energy: -110.027
bonds (distance) P-C4' energy: -121.927
flat angles C4'-P-C4' energy: -110.967
flat angles P-C4'-P energy: -72.138
tors. eta vs tors. theta energy: -96.346
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: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1156.951791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.951791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.951791 (E_RNA)
where:
Base-Base interactions energy: -737.194
where: short stacking energy: -322.521
Base-Backbone interact. energy: 1.185
local terms energy: -420.943011
where:
bonds (distance) C4'-P energy: -93.070
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -121.695
flat angles P-C4'-P energy: -62.154
tors. eta vs tors. theta energy: -48.367
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: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -938.539485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.539485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.539485 (E_RNA)
where:
Base-Base interactions energy: -533.990
where: short stacking energy: -280.757
Base-Backbone interact. energy: -2.583
local terms energy: -401.966849
where:
bonds (distance) C4'-P energy: -116.666
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -94.649
flat angles P-C4'-P energy: -55.929
tors. eta vs tors. theta energy: -32.332
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: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -802.706301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.706301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.706301 (E_RNA)
where:
Base-Base interactions energy: -451.245
where: short stacking energy: -214.646
Base-Backbone interact. energy: 7.354
local terms energy: -358.815023
where:
bonds (distance) C4'-P energy: -106.972
bonds (distance) P-C4' energy: -110.922
flat angles C4'-P-C4' energy: -79.611
flat angles P-C4'-P energy: -45.939
tors. eta vs tors. theta energy: -15.371
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: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2360.710449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.710449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.710449 (E_RNA)
where:
Base-Base interactions energy: -1660.316
where: short stacking energy: -709.436
Base-Backbone interact. energy: -2.235
local terms energy: -698.158851
where:
bonds (distance) C4'-P energy: -127.107
bonds (distance) P-C4' energy: -125.838
flat angles C4'-P-C4' energy: -138.898
flat angles P-C4'-P energy: -96.198
tors. eta vs tors. theta energy: -210.117
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2262.910379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.910379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.910379 (E_RNA)
where:
Base-Base interactions energy: -1590.458
where: short stacking energy: -638.311
Base-Backbone interact. energy: -8.067
local terms energy: -664.385042
where:
bonds (distance) C4'-P energy: -116.253
bonds (distance) P-C4' energy: -121.491
flat angles C4'-P-C4' energy: -139.709
flat angles P-C4'-P energy: -104.418
tors. eta vs tors. theta energy: -182.514
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: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2144.967299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.967299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.967299 (E_RNA)
where:
Base-Base interactions energy: -1466.887
where: short stacking energy: -654.898
Base-Backbone interact. energy: -1.360
local terms energy: -676.720156
where:
bonds (distance) C4'-P energy: -120.634
bonds (distance) P-C4' energy: -116.412
flat angles C4'-P-C4' energy: -146.177
flat angles P-C4'-P energy: -96.832
tors. eta vs tors. theta energy: -196.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2083.533158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.533158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.533158 (E_RNA)
where:
Base-Base interactions energy: -1424.836
where: short stacking energy: -586.577
Base-Backbone interact. energy: -0.356
local terms energy: -658.340943
where:
bonds (distance) C4'-P energy: -131.442
bonds (distance) P-C4' energy: -144.128
flat angles C4'-P-C4' energy: -128.152
flat angles P-C4'-P energy: -90.816
tors. eta vs tors. theta energy: -163.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1997.709062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.709062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.709062 (E_RNA)
where:
Base-Base interactions energy: -1337.323
where: short stacking energy: -575.795
Base-Backbone interact. energy: 4.616
local terms energy: -665.002173
where:
bonds (distance) C4'-P energy: -132.536
bonds (distance) P-C4' energy: -129.149
flat angles C4'-P-C4' energy: -136.090
flat angles P-C4'-P energy: -98.936
tors. eta vs tors. theta energy: -168.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1730.851828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.851828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.851828 (E_RNA)
where:
Base-Base interactions energy: -1177.016
where: short stacking energy: -503.360
Base-Backbone interact. energy: -1.413
local terms energy: -552.422506
where:
bonds (distance) C4'-P energy: -102.324
bonds (distance) P-C4' energy: -109.255
flat angles C4'-P-C4' energy: -127.021
flat angles P-C4'-P energy: -72.651
tors. eta vs tors. theta energy: -141.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1546.441542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.441542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.441542 (E_RNA)
where:
Base-Base interactions energy: -1026.209
where: short stacking energy: -435.377
Base-Backbone interact. energy: -2.267
local terms energy: -517.964979
where:
bonds (distance) C4'-P energy: -119.403
bonds (distance) P-C4' energy: -102.637
flat angles C4'-P-C4' energy: -129.839
flat angles P-C4'-P energy: -64.232
tors. eta vs tors. theta energy: -101.856
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: 8, replica: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1188.880900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.880900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.880900 (E_RNA)
where:
Base-Base interactions energy: -722.726
where: short stacking energy: -352.203
Base-Backbone interact. energy: 0.559
local terms energy: -466.713796
where:
bonds (distance) C4'-P energy: -115.720
bonds (distance) P-C4' energy: -104.075
flat angles C4'-P-C4' energy: -114.396
flat angles P-C4'-P energy: -70.110
tors. eta vs tors. theta energy: -62.413
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: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -857.744554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.744554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.744554 (E_RNA)
where:
Base-Base interactions energy: -481.998
where: short stacking energy: -267.384
Base-Backbone interact. energy: -0.033
local terms energy: -375.713480
where:
bonds (distance) C4'-P energy: -81.704
bonds (distance) P-C4' energy: -86.945
flat angles C4'-P-C4' energy: -108.669
flat angles P-C4'-P energy: -70.794
tors. eta vs tors. theta energy: -27.601
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: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -812.335800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.335800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.335800 (E_RNA)
where:
Base-Base interactions energy: -447.143
where: short stacking energy: -226.620
Base-Backbone interact. energy: 6.050
local terms energy: -371.243086
where:
bonds (distance) C4'-P energy: -104.544
bonds (distance) P-C4' energy: -90.233
flat angles C4'-P-C4' energy: -113.399
flat angles P-C4'-P energy: -55.724
tors. eta vs tors. theta energy: -7.343
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: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2334.950936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.950936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.950936 (E_RNA)
where:
Base-Base interactions energy: -1618.347
where: short stacking energy: -691.693
Base-Backbone interact. energy: -3.419
local terms energy: -713.185553
where:
bonds (distance) C4'-P energy: -140.639
bonds (distance) P-C4' energy: -121.056
flat angles C4'-P-C4' energy: -155.851
flat angles P-C4'-P energy: -99.988
tors. eta vs tors. theta energy: -195.651
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2241.890278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.890278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.890278 (E_RNA)
where:
Base-Base interactions energy: -1557.806
where: short stacking energy: -591.027
Base-Backbone interact. energy: -4.456
local terms energy: -679.628250
where:
bonds (distance) C4'-P energy: -139.253
bonds (distance) P-C4' energy: -124.845
flat angles C4'-P-C4' energy: -154.536
flat angles P-C4'-P energy: -86.051
tors. eta vs tors. theta energy: -174.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2150.167054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.167054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.167054 (E_RNA)
where:
Base-Base interactions energy: -1471.133
where: short stacking energy: -607.963
Base-Backbone interact. energy: -0.593
local terms energy: -678.441122
where:
bonds (distance) C4'-P energy: -114.483
bonds (distance) P-C4' energy: -132.850
flat angles C4'-P-C4' energy: -153.352
flat angles P-C4'-P energy: -103.589
tors. eta vs tors. theta energy: -174.167
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: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2094.119869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.119869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.119869 (E_RNA)
where:
Base-Base interactions energy: -1434.265
where: short stacking energy: -607.347
Base-Backbone interact. energy: -5.600
local terms energy: -654.255001
where:
bonds (distance) C4'-P energy: -120.106
bonds (distance) P-C4' energy: -119.840
flat angles C4'-P-C4' energy: -141.969
flat angles P-C4'-P energy: -85.559
tors. eta vs tors. theta energy: -186.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1979.004226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.004226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.004226 (E_RNA)
where:
Base-Base interactions energy: -1350.204
where: short stacking energy: -563.602
Base-Backbone interact. energy: -5.533
local terms energy: -623.266785
where:
bonds (distance) C4'-P energy: -118.943
bonds (distance) P-C4' energy: -119.082
flat angles C4'-P-C4' energy: -125.033
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -162.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1769.114500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.114500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.114500 (E_RNA)
where:
Base-Base interactions energy: -1195.663
where: short stacking energy: -536.940
Base-Backbone interact. energy: -0.536
local terms energy: -572.915545
where:
bonds (distance) C4'-P energy: -103.763
bonds (distance) P-C4' energy: -108.354
flat angles C4'-P-C4' energy: -138.308
flat angles P-C4'-P energy: -93.714
tors. eta vs tors. theta energy: -128.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1591.997523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.997523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.997523 (E_RNA)
where:
Base-Base interactions energy: -1032.661
where: short stacking energy: -437.711
Base-Backbone interact. energy: 4.037
local terms energy: -563.373307
where:
bonds (distance) C4'-P energy: -123.982
bonds (distance) P-C4' energy: -131.269
flat angles C4'-P-C4' energy: -132.924
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -87.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1172.555108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.555108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.555108 (E_RNA)
where:
Base-Base interactions energy: -738.617
where: short stacking energy: -338.020
Base-Backbone interact. energy: -3.564
local terms energy: -430.374225
where:
bonds (distance) C4'-P energy: -97.322
bonds (distance) P-C4' energy: -116.895
flat angles C4'-P-C4' energy: -110.942
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: -54.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -854.382589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.382589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.382589 (E_RNA)
where:
Base-Base interactions energy: -440.914
where: short stacking energy: -250.437
Base-Backbone interact. energy: 2.400
local terms energy: -415.869436
where:
bonds (distance) C4'-P energy: -115.795
bonds (distance) P-C4' energy: -107.897
flat angles C4'-P-C4' energy: -91.989
flat angles P-C4'-P energy: -80.284
tors. eta vs tors. theta energy: -19.904
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: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -792.005112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.005112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.005112 (E_RNA)
where:
Base-Base interactions energy: -413.531
where: short stacking energy: -205.898
Base-Backbone interact. energy: -1.769
local terms energy: -376.705432
where:
bonds (distance) C4'-P energy: -120.191
bonds (distance) P-C4' energy: -102.511
flat angles C4'-P-C4' energy: -104.204
flat angles P-C4'-P energy: -59.536
tors. eta vs tors. theta energy: 9.737
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: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2345.294067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.294067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.294067 (E_RNA)
where:
Base-Base interactions energy: -1609.341
where: short stacking energy: -701.849
Base-Backbone interact. energy: -1.512
local terms energy: -734.441148
where:
bonds (distance) C4'-P energy: -121.282
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -151.881
flat angles P-C4'-P energy: -110.677
tors. eta vs tors. theta energy: -206.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2263.816980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.816980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.816980 (E_RNA)
where:
Base-Base interactions energy: -1568.304
where: short stacking energy: -625.921
Base-Backbone interact. energy: -2.841
local terms energy: -692.671862
where:
bonds (distance) C4'-P energy: -135.734
bonds (distance) P-C4' energy: -132.437
flat angles C4'-P-C4' energy: -148.293
flat angles P-C4'-P energy: -102.386
tors. eta vs tors. theta energy: -173.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2126.527115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.527115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.527115 (E_RNA)
where:
Base-Base interactions energy: -1491.087
where: short stacking energy: -643.477
Base-Backbone interact. energy: 5.417
local terms energy: -640.857278
where:
bonds (distance) C4'-P energy: -117.286
bonds (distance) P-C4' energy: -120.322
flat angles C4'-P-C4' energy: -139.419
flat angles P-C4'-P energy: -89.762
tors. eta vs tors. theta energy: -174.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2078.309970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.309970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.309970 (E_RNA)
where:
Base-Base interactions energy: -1426.979
where: short stacking energy: -605.943
Base-Backbone interact. energy: -3.166
local terms energy: -648.164644
where:
bonds (distance) C4'-P energy: -118.348
bonds (distance) P-C4' energy: -123.892
flat angles C4'-P-C4' energy: -154.356
flat angles P-C4'-P energy: -76.419
tors. eta vs tors. theta energy: -175.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2002.201710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.201710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.201710 (E_RNA)
where:
Base-Base interactions energy: -1374.741
where: short stacking energy: -592.356
Base-Backbone interact. energy: -1.477
local terms energy: -625.984505
where:
bonds (distance) C4'-P energy: -115.468
bonds (distance) P-C4' energy: -116.717
flat angles C4'-P-C4' energy: -133.372
flat angles P-C4'-P energy: -85.552
tors. eta vs tors. theta energy: -174.875
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: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1743.738204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.738204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.738204 (E_RNA)
where:
Base-Base interactions energy: -1195.753
where: short stacking energy: -517.791
Base-Backbone interact. energy: -0.943
local terms energy: -547.042666
where:
bonds (distance) C4'-P energy: -105.711
bonds (distance) P-C4' energy: -117.312
flat angles C4'-P-C4' energy: -113.538
flat angles P-C4'-P energy: -92.016
tors. eta vs tors. theta energy: -118.466
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1523.132888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.132888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.132888 (E_RNA)
where:
Base-Base interactions energy: -991.779
where: short stacking energy: -405.005
Base-Backbone interact. energy: 1.513
local terms energy: -532.866913
where:
bonds (distance) C4'-P energy: -111.741
bonds (distance) P-C4' energy: -123.156
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -65.969
tors. eta vs tors. theta energy: -102.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1171.324857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.324857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.324857 (E_RNA)
where:
Base-Base interactions energy: -721.342
where: short stacking energy: -337.189
Base-Backbone interact. energy: 4.917
local terms energy: -454.899634
where:
bonds (distance) C4'-P energy: -98.818
bonds (distance) P-C4' energy: -116.874
flat angles C4'-P-C4' energy: -117.054
flat angles P-C4'-P energy: -69.529
tors. eta vs tors. theta energy: -52.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -910.065219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.065219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.065219 (E_RNA)
where:
Base-Base interactions energy: -510.719
where: short stacking energy: -254.725
Base-Backbone interact. energy: -4.585
local terms energy: -394.761644
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -113.002
flat angles C4'-P-C4' energy: -100.301
flat angles P-C4'-P energy: -56.346
tors. eta vs tors. theta energy: -17.926
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: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -771.716777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.716777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.716777 (E_RNA)
where:
Base-Base interactions energy: -453.542
where: short stacking energy: -221.765
Base-Backbone interact. energy: 1.574
local terms energy: -319.748836
where:
bonds (distance) C4'-P energy: -96.525
bonds (distance) P-C4' energy: -93.816
flat angles C4'-P-C4' energy: -68.674
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2333.046345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.046345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.046345 (E_RNA)
where:
Base-Base interactions energy: -1595.195
where: short stacking energy: -667.762
Base-Backbone interact. energy: -4.033
local terms energy: -733.818817
where:
bonds (distance) C4'-P energy: -139.472
bonds (distance) P-C4' energy: -141.414
flat angles C4'-P-C4' energy: -150.663
flat angles P-C4'-P energy: -106.013
tors. eta vs tors. theta energy: -196.257
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: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2250.656111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.656111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.656111 (E_RNA)
where:
Base-Base interactions energy: -1568.122
where: short stacking energy: -671.326
Base-Backbone interact. energy: -1.959
local terms energy: -680.575766
where:
bonds (distance) C4'-P energy: -124.821
bonds (distance) P-C4' energy: -126.114
flat angles C4'-P-C4' energy: -142.143
flat angles P-C4'-P energy: -107.415
tors. eta vs tors. theta energy: -180.084
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: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2148.662965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.662965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.662965 (E_RNA)
where:
Base-Base interactions energy: -1502.366
where: short stacking energy: -625.667
Base-Backbone interact. energy: -0.851
local terms energy: -645.446275
where:
bonds (distance) C4'-P energy: -116.664
bonds (distance) P-C4' energy: -132.018
flat angles C4'-P-C4' energy: -139.662
flat angles P-C4'-P energy: -88.742
tors. eta vs tors. theta energy: -168.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2050.828655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.828655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.828655 (E_RNA)
where:
Base-Base interactions energy: -1397.953
where: short stacking energy: -615.386
Base-Backbone interact. energy: 7.060
local terms energy: -659.935778
where:
bonds (distance) C4'-P energy: -124.288
bonds (distance) P-C4' energy: -125.117
flat angles C4'-P-C4' energy: -142.106
flat angles P-C4'-P energy: -87.516
tors. eta vs tors. theta energy: -180.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2007.323690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.323690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.323690 (E_RNA)
where:
Base-Base interactions energy: -1391.944
where: short stacking energy: -590.431
Base-Backbone interact. energy: -2.232
local terms energy: -613.147852
where:
bonds (distance) C4'-P energy: -109.829
bonds (distance) P-C4' energy: -122.043
flat angles C4'-P-C4' energy: -135.574
flat angles P-C4'-P energy: -81.620
tors. eta vs tors. theta energy: -164.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1730.187550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.187550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.187550 (E_RNA)
where:
Base-Base interactions energy: -1156.608
where: short stacking energy: -505.771
Base-Backbone interact. energy: 1.964
local terms energy: -575.543954
where:
bonds (distance) C4'-P energy: -126.162
bonds (distance) P-C4' energy: -113.815
flat angles C4'-P-C4' energy: -119.678
flat angles P-C4'-P energy: -90.539
tors. eta vs tors. theta energy: -125.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1538.858128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.858128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.858128 (E_RNA)
where:
Base-Base interactions energy: -1024.263
where: short stacking energy: -441.780
Base-Backbone interact. energy: -1.936
local terms energy: -512.659146
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -106.467
flat angles C4'-P-C4' energy: -121.133
flat angles P-C4'-P energy: -77.010
tors. eta vs tors. theta energy: -100.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1236.535420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.535420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.535420 (E_RNA)
where:
Base-Base interactions energy: -782.696
where: short stacking energy: -351.521
Base-Backbone interact. energy: -3.442
local terms energy: -450.397757
where:
bonds (distance) C4'-P energy: -113.121
bonds (distance) P-C4' energy: -110.949
flat angles C4'-P-C4' energy: -106.917
flat angles P-C4'-P energy: -66.756
tors. eta vs tors. theta energy: -52.654
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: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -887.624241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.624241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.624241 (E_RNA)
where:
Base-Base interactions energy: -526.544
where: short stacking energy: -275.644
Base-Backbone interact. energy: 2.695
local terms energy: -363.774888
where:
bonds (distance) C4'-P energy: -106.446
bonds (distance) P-C4' energy: -88.968
flat angles C4'-P-C4' energy: -91.732
flat angles P-C4'-P energy: -63.881
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: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -814.279925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.279925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.279925 (E_RNA)
where:
Base-Base interactions energy: -416.405
where: short stacking energy: -217.929
Base-Backbone interact. energy: -0.485
local terms energy: -397.390798
where:
bonds (distance) C4'-P energy: -104.702
bonds (distance) P-C4' energy: -114.596
flat angles C4'-P-C4' energy: -94.453
flat angles P-C4'-P energy: -70.657
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2335.858332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.858332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.858332 (E_RNA)
where:
Base-Base interactions energy: -1624.824
where: short stacking energy: -691.489
Base-Backbone interact. energy: -2.332
local terms energy: -708.702350
where:
bonds (distance) C4'-P energy: -126.865
bonds (distance) P-C4' energy: -137.112
flat angles C4'-P-C4' energy: -155.300
flat angles P-C4'-P energy: -96.239
tors. eta vs tors. theta energy: -193.187
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: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2214.626271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.626271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.626271 (E_RNA)
where:
Base-Base interactions energy: -1555.682
where: short stacking energy: -627.621
Base-Backbone interact. energy: -3.762
local terms energy: -655.182270
where:
bonds (distance) C4'-P energy: -123.418
bonds (distance) P-C4' energy: -131.133
flat angles C4'-P-C4' energy: -136.920
flat angles P-C4'-P energy: -90.169
tors. eta vs tors. theta energy: -173.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2165.541440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.541440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.541440 (E_RNA)
where:
Base-Base interactions energy: -1496.827
where: short stacking energy: -631.029
Base-Backbone interact. energy: -4.218
local terms energy: -664.496889
where:
bonds (distance) C4'-P energy: -131.894
bonds (distance) P-C4' energy: -122.608
flat angles C4'-P-C4' energy: -135.992
flat angles P-C4'-P energy: -97.600
tors. eta vs tors. theta energy: -176.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2049.033066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.033066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.033066 (E_RNA)
where:
Base-Base interactions energy: -1400.558
where: short stacking energy: -581.762
Base-Backbone interact. energy: -2.947
local terms energy: -645.527752
where:
bonds (distance) C4'-P energy: -124.707
bonds (distance) P-C4' energy: -127.255
flat angles C4'-P-C4' energy: -129.915
flat angles P-C4'-P energy: -87.398
tors. eta vs tors. theta energy: -176.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1992.409549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.409549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.409549 (E_RNA)
where:
Base-Base interactions energy: -1361.276
where: short stacking energy: -600.525
Base-Backbone interact. energy: 0.341
local terms energy: -631.474756
where:
bonds (distance) C4'-P energy: -104.853
bonds (distance) P-C4' energy: -104.588
flat angles C4'-P-C4' energy: -143.632
flat angles P-C4'-P energy: -97.559
tors. eta vs tors. theta energy: -180.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1760.369550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.369550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.369550 (E_RNA)
where:
Base-Base interactions energy: -1228.364
where: short stacking energy: -508.294
Base-Backbone interact. energy: -2.163
local terms energy: -529.842617
where:
bonds (distance) C4'-P energy: -100.219
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -124.626
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -111.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1550.446724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.446724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.446724 (E_RNA)
where:
Base-Base interactions energy: -1036.081
where: short stacking energy: -416.018
Base-Backbone interact. energy: -1.238
local terms energy: -513.127965
where:
bonds (distance) C4'-P energy: -117.068
bonds (distance) P-C4' energy: -119.724
flat angles C4'-P-C4' energy: -121.010
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -88.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1223.597449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.597449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.597449 (E_RNA)
where:
Base-Base interactions energy: -792.052
where: short stacking energy: -369.771
Base-Backbone interact. energy: -1.040
local terms energy: -430.505685
where:
bonds (distance) C4'-P energy: -99.531
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -89.619
flat angles P-C4'-P energy: -56.138
tors. eta vs tors. theta energy: -75.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -847.181851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.181851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.181851 (E_RNA)
where:
Base-Base interactions energy: -451.541
where: short stacking energy: -222.934
Base-Backbone interact. energy: 0.257
local terms energy: -395.898152
where:
bonds (distance) C4'-P energy: -95.933
bonds (distance) P-C4' energy: -121.519
flat angles C4'-P-C4' energy: -100.962
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -26.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -816.965890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.965890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.965890 (E_RNA)
where:
Base-Base interactions energy: -433.225
where: short stacking energy: -207.916
Base-Backbone interact. energy: -2.311
local terms energy: -381.430131
where:
bonds (distance) C4'-P energy: -107.653
bonds (distance) P-C4' energy: -107.621
flat angles C4'-P-C4' energy: -104.275
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2378.158564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.158564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.158564 (E_RNA)
where:
Base-Base interactions energy: -1640.895
where: short stacking energy: -729.650
Base-Backbone interact. energy: -2.237
local terms energy: -735.026662
where:
bonds (distance) C4'-P energy: -142.847
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -147.898
flat angles P-C4'-P energy: -96.461
tors. eta vs tors. theta energy: -211.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2225.935283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.935283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.935283 (E_RNA)
where:
Base-Base interactions energy: -1571.234
where: short stacking energy: -632.995
Base-Backbone interact. energy: -3.310
local terms energy: -651.391260
where:
bonds (distance) C4'-P energy: -122.874
bonds (distance) P-C4' energy: -123.209
flat angles C4'-P-C4' energy: -135.040
flat angles P-C4'-P energy: -91.757
tors. eta vs tors. theta energy: -178.513
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: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2127.692178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.692178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.692178 (E_RNA)
where:
Base-Base interactions energy: -1468.871
where: short stacking energy: -619.667
Base-Backbone interact. energy: -1.088
local terms energy: -657.732698
where:
bonds (distance) C4'-P energy: -117.666
bonds (distance) P-C4' energy: -135.699
flat angles C4'-P-C4' energy: -146.563
flat angles P-C4'-P energy: -88.207
tors. eta vs tors. theta energy: -169.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2098.674702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.674702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.674702 (E_RNA)
where:
Base-Base interactions energy: -1458.735
where: short stacking energy: -607.990
Base-Backbone interact. energy: 0.503
local terms energy: -640.442631
where:
bonds (distance) C4'-P energy: -117.808
bonds (distance) P-C4' energy: -112.821
flat angles C4'-P-C4' energy: -135.101
flat angles P-C4'-P energy: -91.693
tors. eta vs tors. theta energy: -183.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2002.992884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.992884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.992884 (E_RNA)
where:
Base-Base interactions energy: -1380.096
where: short stacking energy: -606.852
Base-Backbone interact. energy: -1.110
local terms energy: -621.786830
where:
bonds (distance) C4'-P energy: -108.099
bonds (distance) P-C4' energy: -122.910
flat angles C4'-P-C4' energy: -127.107
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -188.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1811.096678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.096678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.096678 (E_RNA)
where:
Base-Base interactions energy: -1248.429
where: short stacking energy: -538.629
Base-Backbone interact. energy: -1.418
local terms energy: -561.249712
where:
bonds (distance) C4'-P energy: -114.696
bonds (distance) P-C4' energy: -92.494
flat angles C4'-P-C4' energy: -130.044
flat angles P-C4'-P energy: -92.679
tors. eta vs tors. theta energy: -131.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1589.128894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.128894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.128894 (E_RNA)
where:
Base-Base interactions energy: -1072.565
where: short stacking energy: -445.671
Base-Backbone interact. energy: -3.962
local terms energy: -512.601802
where:
bonds (distance) C4'-P energy: -91.497
bonds (distance) P-C4' energy: -118.940
flat angles C4'-P-C4' energy: -117.680
flat angles P-C4'-P energy: -78.646
tors. eta vs tors. theta energy: -105.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1220.685474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.685474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.685474 (E_RNA)
where:
Base-Base interactions energy: -775.886
where: short stacking energy: -356.093
Base-Backbone interact. energy: -0.667
local terms energy: -444.132835
where:
bonds (distance) C4'-P energy: -106.818
bonds (distance) P-C4' energy: -111.487
flat angles C4'-P-C4' energy: -109.732
flat angles P-C4'-P energy: -60.241
tors. eta vs tors. theta energy: -55.856
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: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -795.486405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.486405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.486405 (E_RNA)
where:
Base-Base interactions energy: -398.074
where: short stacking energy: -246.683
Base-Backbone interact. energy: -1.663
local terms energy: -395.749480
where:
bonds (distance) C4'-P energy: -104.133
bonds (distance) P-C4' energy: -112.361
flat angles C4'-P-C4' energy: -99.049
flat angles P-C4'-P energy: -65.710
tors. eta vs tors. theta energy: -14.496
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: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -794.512374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.512374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.512374 (E_RNA)
where:
Base-Base interactions energy: -407.757
where: short stacking energy: -210.132
Base-Backbone interact. energy: 3.054
local terms energy: -389.810183
where:
bonds (distance) C4'-P energy: -102.561
bonds (distance) P-C4' energy: -99.678
flat angles C4'-P-C4' energy: -102.586
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -13.444
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: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2362.762175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.762175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.762175 (E_RNA)
where:
Base-Base interactions energy: -1660.102
where: short stacking energy: -712.522
Base-Backbone interact. energy: -4.865
local terms energy: -697.794637
where:
bonds (distance) C4'-P energy: -118.336
bonds (distance) P-C4' energy: -138.459
flat angles C4'-P-C4' energy: -136.994
flat angles P-C4'-P energy: -99.056
tors. eta vs tors. theta energy: -204.950
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: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2206.372131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.372131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.372131 (E_RNA)
where:
Base-Base interactions energy: -1551.596
where: short stacking energy: -624.979
Base-Backbone interact. energy: -2.893
local terms energy: -651.882535
where:
bonds (distance) C4'-P energy: -119.094
bonds (distance) P-C4' energy: -116.663
flat angles C4'-P-C4' energy: -139.149
flat angles P-C4'-P energy: -101.756
tors. eta vs tors. theta energy: -175.220
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: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2159.691175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.691175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.691175 (E_RNA)
where:
Base-Base interactions energy: -1500.014
where: short stacking energy: -595.812
Base-Backbone interact. energy: -3.352
local terms energy: -656.325008
where:
bonds (distance) C4'-P energy: -140.121
bonds (distance) P-C4' energy: -123.130
flat angles C4'-P-C4' energy: -134.933
flat angles P-C4'-P energy: -82.115
tors. eta vs tors. theta energy: -176.026
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: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2061.203579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.203579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.203579 (E_RNA)
where:
Base-Base interactions energy: -1430.463
where: short stacking energy: -617.236
Base-Backbone interact. energy: -2.914
local terms energy: -627.827115
where:
bonds (distance) C4'-P energy: -120.301
bonds (distance) P-C4' energy: -102.924
flat angles C4'-P-C4' energy: -129.158
flat angles P-C4'-P energy: -90.668
tors. eta vs tors. theta energy: -184.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2006.728771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.728771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.728771 (E_RNA)
where:
Base-Base interactions energy: -1389.793
where: short stacking energy: -609.845
Base-Backbone interact. energy: -1.639
local terms energy: -615.297376
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -140.166
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -182.627
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: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1757.820263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.820263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.820263 (E_RNA)
where:
Base-Base interactions energy: -1200.020
where: short stacking energy: -513.077
Base-Backbone interact. energy: 0.180
local terms energy: -557.980864
where:
bonds (distance) C4'-P energy: -99.640
bonds (distance) P-C4' energy: -122.180
flat angles C4'-P-C4' energy: -127.989
flat angles P-C4'-P energy: -94.880
tors. eta vs tors. theta energy: -113.292
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: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1625.694901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.694901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.694901 (E_RNA)
where:
Base-Base interactions energy: -1074.255
where: short stacking energy: -464.225
Base-Backbone interact. energy: 5.255
local terms energy: -556.694869
where:
bonds (distance) C4'-P energy: -107.717
bonds (distance) P-C4' energy: -124.298
flat angles C4'-P-C4' energy: -129.118
flat angles P-C4'-P energy: -82.904
tors. eta vs tors. theta energy: -112.658
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: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1203.470287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.470287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.470287 (E_RNA)
where:
Base-Base interactions energy: -727.271
where: short stacking energy: -346.319
Base-Backbone interact. energy: -2.047
local terms energy: -474.151867
where:
bonds (distance) C4'-P energy: -107.650
bonds (distance) P-C4' energy: -130.158
flat angles C4'-P-C4' energy: -107.042
flat angles P-C4'-P energy: -61.315
tors. eta vs tors. theta energy: -67.986
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: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -923.429788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.429788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.429788 (E_RNA)
where:
Base-Base interactions energy: -486.463
where: short stacking energy: -263.573
Base-Backbone interact. energy: 3.254
local terms energy: -440.220142
where:
bonds (distance) C4'-P energy: -118.145
bonds (distance) P-C4' energy: -109.124
flat angles C4'-P-C4' energy: -126.615
flat angles P-C4'-P energy: -52.103
tors. eta vs tors. theta energy: -34.234
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: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -686.270274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.270274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.270274 (E_RNA)
where:
Base-Base interactions energy: -327.208
where: short stacking energy: -190.007
Base-Backbone interact. energy: 4.654
local terms energy: -363.717157
where:
bonds (distance) C4'-P energy: -96.468
bonds (distance) P-C4' energy: -113.745
flat angles C4'-P-C4' energy: -101.416
flat angles P-C4'-P energy: -51.632
tors. eta vs tors. theta energy: -0.457
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: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2342.660303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.660303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.660303 (E_RNA)
where:
Base-Base interactions energy: -1631.016
where: short stacking energy: -707.778
Base-Backbone interact. energy: -2.911
local terms energy: -708.733240
where:
bonds (distance) C4'-P energy: -131.206
bonds (distance) P-C4' energy: -140.752
flat angles C4'-P-C4' energy: -144.581
flat angles P-C4'-P energy: -89.685
tors. eta vs tors. theta energy: -202.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2194.986311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.986311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.986311 (E_RNA)
where:
Base-Base interactions energy: -1570.177
where: short stacking energy: -627.048
Base-Backbone interact. energy: 1.881
local terms energy: -626.689948
where:
bonds (distance) C4'-P energy: -113.507
bonds (distance) P-C4' energy: -123.683
flat angles C4'-P-C4' energy: -141.892
flat angles P-C4'-P energy: -85.520
tors. eta vs tors. theta energy: -162.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2188.490727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.490727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.490727 (E_RNA)
where:
Base-Base interactions energy: -1515.546
where: short stacking energy: -625.136
Base-Backbone interact. energy: 3.760
local terms energy: -676.704625
where:
bonds (distance) C4'-P energy: -134.702
bonds (distance) P-C4' energy: -129.590
flat angles C4'-P-C4' energy: -137.476
flat angles P-C4'-P energy: -98.551
tors. eta vs tors. theta energy: -176.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2047.599153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.599153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.599153 (E_RNA)
where:
Base-Base interactions energy: -1408.622
where: short stacking energy: -593.447
Base-Backbone interact. energy: -0.102
local terms energy: -638.875000
where:
bonds (distance) C4'-P energy: -117.275
bonds (distance) P-C4' energy: -124.604
flat angles C4'-P-C4' energy: -132.349
flat angles P-C4'-P energy: -88.425
tors. eta vs tors. theta energy: -176.223
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: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1986.367193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.367193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.367193 (E_RNA)
where:
Base-Base interactions energy: -1360.013
where: short stacking energy: -598.629
Base-Backbone interact. energy: -3.598
local terms energy: -622.755920
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -105.402
flat angles C4'-P-C4' energy: -151.063
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -170.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1743.724216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.724216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.724216 (E_RNA)
where:
Base-Base interactions energy: -1205.925
where: short stacking energy: -494.277
Base-Backbone interact. energy: -4.523
local terms energy: -533.276293
where:
bonds (distance) C4'-P energy: -103.807
bonds (distance) P-C4' energy: -112.424
flat angles C4'-P-C4' energy: -117.669
flat angles P-C4'-P energy: -86.556
tors. eta vs tors. theta energy: -112.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1607.637954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.637954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.637954 (E_RNA)
where:
Base-Base interactions energy: -1092.094
where: short stacking energy: -466.650
Base-Backbone interact. energy: -1.699
local terms energy: -513.845068
where:
bonds (distance) C4'-P energy: -116.500
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -117.039
flat angles P-C4'-P energy: -62.588
tors. eta vs tors. theta energy: -123.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1166.666067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.666067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.666067 (E_RNA)
where:
Base-Base interactions energy: -697.830
where: short stacking energy: -324.382
Base-Backbone interact. energy: -1.078
local terms energy: -467.758672
where:
bonds (distance) C4'-P energy: -101.788
bonds (distance) P-C4' energy: -115.384
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -71.303
tors. eta vs tors. theta energy: -62.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -950.064691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.064691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.064691 (E_RNA)
where:
Base-Base interactions energy: -558.275
where: short stacking energy: -284.450
Base-Backbone interact. energy: 1.496
local terms energy: -393.285798
where:
bonds (distance) C4'-P energy: -98.215
bonds (distance) P-C4' energy: -112.358
flat angles C4'-P-C4' energy: -88.292
flat angles P-C4'-P energy: -58.729
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: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -705.699971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.699971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.699971 (E_RNA)
where:
Base-Base interactions energy: -342.807
where: short stacking energy: -182.051
Base-Backbone interact. energy: 0.319
local terms energy: -363.211256
where:
bonds (distance) C4'-P energy: -96.136
bonds (distance) P-C4' energy: -109.593
flat angles C4'-P-C4' energy: -98.785
flat angles P-C4'-P energy: -49.814
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2337.765477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.765477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.765477 (E_RNA)
where:
Base-Base interactions energy: -1623.007
where: short stacking energy: -706.326
Base-Backbone interact. energy: -1.735
local terms energy: -713.023653
where:
bonds (distance) C4'-P energy: -128.856
bonds (distance) P-C4' energy: -121.102
flat angles C4'-P-C4' energy: -149.888
flat angles P-C4'-P energy: -103.786
tors. eta vs tors. theta energy: -209.392
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: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2262.530203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.530203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.530203 (E_RNA)
where:
Base-Base interactions energy: -1610.869
where: short stacking energy: -645.892
Base-Backbone interact. energy: -1.935
local terms energy: -649.726798
where:
bonds (distance) C4'-P energy: -110.554
bonds (distance) P-C4' energy: -125.987
flat angles C4'-P-C4' energy: -156.537
flat angles P-C4'-P energy: -87.168
tors. eta vs tors. theta energy: -169.480
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: 321
Temperature: 1.000000
Total energy: -2141.505133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.505133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.505133 (E_RNA)
where:
Base-Base interactions energy: -1490.432
where: short stacking energy: -622.756
Base-Backbone interact. energy: -0.893
local terms energy: -650.180134
where:
bonds (distance) C4'-P energy: -123.193
bonds (distance) P-C4' energy: -126.742
flat angles C4'-P-C4' energy: -139.888
flat angles P-C4'-P energy: -88.964
tors. eta vs tors. theta energy: -171.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2054.072505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.072505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.072505 (E_RNA)
where:
Base-Base interactions energy: -1400.488
where: short stacking energy: -596.435
Base-Backbone interact. energy: -4.631
local terms energy: -648.952937
where:
bonds (distance) C4'-P energy: -104.732
bonds (distance) P-C4' energy: -132.018
flat angles C4'-P-C4' energy: -139.327
flat angles P-C4'-P energy: -90.977
tors. eta vs tors. theta energy: -181.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2013.397990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.397990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.397990 (E_RNA)
where:
Base-Base interactions energy: -1370.881
where: short stacking energy: -608.626
Base-Backbone interact. energy: -1.728
local terms energy: -640.789482
where:
bonds (distance) C4'-P energy: -125.671
bonds (distance) P-C4' energy: -111.267
flat angles C4'-P-C4' energy: -138.113
flat angles P-C4'-P energy: -100.043
tors. eta vs tors. theta energy: -165.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1757.147800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.147800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.147800 (E_RNA)
where:
Base-Base interactions energy: -1191.653
where: short stacking energy: -521.807
Base-Backbone interact. energy: -2.641
local terms energy: -562.854132
where:
bonds (distance) C4'-P energy: -124.393
bonds (distance) P-C4' energy: -113.351
flat angles C4'-P-C4' energy: -111.810
flat angles P-C4'-P energy: -80.775
tors. eta vs tors. theta energy: -132.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1559.369070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.369070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.369070 (E_RNA)
where:
Base-Base interactions energy: -1061.123
where: short stacking energy: -443.892
Base-Backbone interact. energy: 0.200
local terms energy: -498.445872
where:
bonds (distance) C4'-P energy: -110.955
bonds (distance) P-C4' energy: -101.490
flat angles C4'-P-C4' energy: -123.544
flat angles P-C4'-P energy: -65.145
tors. eta vs tors. theta energy: -97.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1161.890219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.890219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.890219 (E_RNA)
where:
Base-Base interactions energy: -719.139
where: short stacking energy: -338.959
Base-Backbone interact. energy: 1.776
local terms energy: -444.527743
where:
bonds (distance) C4'-P energy: -92.774
bonds (distance) P-C4' energy: -115.661
flat angles C4'-P-C4' energy: -112.224
flat angles P-C4'-P energy: -57.383
tors. eta vs tors. theta energy: -66.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -953.284875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.284875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.284875 (E_RNA)
where:
Base-Base interactions energy: -550.852
where: short stacking energy: -256.466
Base-Backbone interact. energy: -4.489
local terms energy: -397.943823
where:
bonds (distance) C4'-P energy: -104.966
bonds (distance) P-C4' energy: -126.958
flat angles C4'-P-C4' energy: -83.702
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -726.609806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.609806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.609806 (E_RNA)
where:
Base-Base interactions energy: -357.631
where: short stacking energy: -203.991
Base-Backbone interact. energy: -2.803
local terms energy: -366.175975
where:
bonds (distance) C4'-P energy: -105.693
bonds (distance) P-C4' energy: -99.836
flat angles C4'-P-C4' energy: -85.086
flat angles P-C4'-P energy: -64.891
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2366.551775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.551775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.551775 (E_RNA)
where:
Base-Base interactions energy: -1625.645
where: short stacking energy: -718.698
Base-Backbone interact. energy: -4.002
local terms energy: -736.904683
where:
bonds (distance) C4'-P energy: -123.466
bonds (distance) P-C4' energy: -131.358
flat angles C4'-P-C4' energy: -163.135
flat angles P-C4'-P energy: -110.883
tors. eta vs tors. theta energy: -208.062
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: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2242.200066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.200066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.200066 (E_RNA)
where:
Base-Base interactions energy: -1578.100
where: short stacking energy: -630.495
Base-Backbone interact. energy: -4.068
local terms energy: -660.031901
where:
bonds (distance) C4'-P energy: -128.955
bonds (distance) P-C4' energy: -117.517
flat angles C4'-P-C4' energy: -137.457
flat angles P-C4'-P energy: -100.713
tors. eta vs tors. theta energy: -175.390
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: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2136.139022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.139022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.139022 (E_RNA)
where:
Base-Base interactions energy: -1479.602
where: short stacking energy: -628.599
Base-Backbone interact. energy: -0.880
local terms energy: -655.656439
where:
bonds (distance) C4'-P energy: -116.967
bonds (distance) P-C4' energy: -119.799
flat angles C4'-P-C4' energy: -138.273
flat angles P-C4'-P energy: -105.137
tors. eta vs tors. theta energy: -175.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2044.055402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.055402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.055402 (E_RNA)
where:
Base-Base interactions energy: -1378.264
where: short stacking energy: -587.171
Base-Backbone interact. energy: -5.464
local terms energy: -660.327363
where:
bonds (distance) C4'-P energy: -127.586
bonds (distance) P-C4' energy: -129.756
flat angles C4'-P-C4' energy: -133.856
flat angles P-C4'-P energy: -95.474
tors. eta vs tors. theta energy: -173.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1978.413702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.413702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.413702 (E_RNA)
where:
Base-Base interactions energy: -1388.303
where: short stacking energy: -601.351
Base-Backbone interact. energy: 6.257
local terms energy: -596.367661
where:
bonds (distance) C4'-P energy: -115.087
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -141.892
flat angles P-C4'-P energy: -69.074
tors. eta vs tors. theta energy: -157.028
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: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1758.959325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.959325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.959325 (E_RNA)
where:
Base-Base interactions energy: -1199.533
where: short stacking energy: -508.892
Base-Backbone interact. energy: -4.014
local terms energy: -555.412074
where:
bonds (distance) C4'-P energy: -95.391
bonds (distance) P-C4' energy: -125.440
flat angles C4'-P-C4' energy: -122.781
flat angles P-C4'-P energy: -69.291
tors. eta vs tors. theta energy: -142.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1552.667998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.667998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.667998 (E_RNA)
where:
Base-Base interactions energy: -1056.527
where: short stacking energy: -449.970
Base-Backbone interact. energy: 6.129
local terms energy: -502.270873
where:
bonds (distance) C4'-P energy: -100.752
bonds (distance) P-C4' energy: -99.278
flat angles C4'-P-C4' energy: -122.327
flat angles P-C4'-P energy: -67.496
tors. eta vs tors. theta energy: -112.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1159.679140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.679140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.679140 (E_RNA)
where:
Base-Base interactions energy: -696.418
where: short stacking energy: -354.324
Base-Backbone interact. energy: 0.516
local terms energy: -463.777366
where:
bonds (distance) C4'-P energy: -103.928
bonds (distance) P-C4' energy: -101.231
flat angles C4'-P-C4' energy: -109.660
flat angles P-C4'-P energy: -74.984
tors. eta vs tors. theta energy: -73.975
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: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -830.246164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.246164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.246164 (E_RNA)
where:
Base-Base interactions energy: -451.787
where: short stacking energy: -257.960
Base-Backbone interact. energy: 7.122
local terms energy: -385.581054
where:
bonds (distance) C4'-P energy: -101.184
bonds (distance) P-C4' energy: -115.075
flat angles C4'-P-C4' energy: -91.850
flat angles P-C4'-P energy: -71.011
tors. eta vs tors. theta energy: -6.461
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: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -751.876639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.876639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.876639 (E_RNA)
where:
Base-Base interactions energy: -384.569
where: short stacking energy: -208.700
Base-Backbone interact. energy: 8.159
local terms energy: -375.467292
where:
bonds (distance) C4'-P energy: -118.757
bonds (distance) P-C4' energy: -115.139
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2344.794511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.794511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.794511 (E_RNA)
where:
Base-Base interactions energy: -1624.926
where: short stacking energy: -711.233
Base-Backbone interact. energy: 0.444
local terms energy: -720.312360
where:
bonds (distance) C4'-P energy: -108.884
bonds (distance) P-C4' energy: -146.754
flat angles C4'-P-C4' energy: -152.450
flat angles P-C4'-P energy: -105.982
tors. eta vs tors. theta energy: -206.243
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: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2234.329121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.329121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.329121 (E_RNA)
where:
Base-Base interactions energy: -1548.889
where: short stacking energy: -622.640
Base-Backbone interact. energy: -4.336
local terms energy: -681.104599
where:
bonds (distance) C4'-P energy: -128.708
bonds (distance) P-C4' energy: -133.658
flat angles C4'-P-C4' energy: -146.852
flat angles P-C4'-P energy: -98.437
tors. eta vs tors. theta energy: -173.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2148.121835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.121835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.121835 (E_RNA)
where:
Base-Base interactions energy: -1502.262
where: short stacking energy: -626.612
Base-Backbone interact. energy: 0.826
local terms energy: -646.686413
where:
bonds (distance) C4'-P energy: -118.782
bonds (distance) P-C4' energy: -130.047
flat angles C4'-P-C4' energy: -135.572
flat angles P-C4'-P energy: -93.286
tors. eta vs tors. theta energy: -168.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2076.867328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.867328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.867328 (E_RNA)
where:
Base-Base interactions energy: -1425.571
where: short stacking energy: -617.032
Base-Backbone interact. energy: 1.995
local terms energy: -653.291342
where:
bonds (distance) C4'-P energy: -124.605
bonds (distance) P-C4' energy: -131.296
flat angles C4'-P-C4' energy: -135.070
flat angles P-C4'-P energy: -86.453
tors. eta vs tors. theta energy: -175.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2028.592103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.592103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.592103 (E_RNA)
where:
Base-Base interactions energy: -1412.669
where: short stacking energy: -631.967
Base-Backbone interact. energy: -2.234
local terms energy: -613.689805
where:
bonds (distance) C4'-P energy: -100.686
bonds (distance) P-C4' energy: -105.988
flat angles C4'-P-C4' energy: -150.408
flat angles P-C4'-P energy: -83.641
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: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1782.958777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.958777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.958777 (E_RNA)
where:
Base-Base interactions energy: -1211.338
where: short stacking energy: -530.883
Base-Backbone interact. energy: 2.657
local terms energy: -574.277735
where:
bonds (distance) C4'-P energy: -100.734
bonds (distance) P-C4' energy: -117.973
flat angles C4'-P-C4' energy: -131.558
flat angles P-C4'-P energy: -98.138
tors. eta vs tors. theta energy: -125.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1554.585603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.585603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.585603 (E_RNA)
where:
Base-Base interactions energy: -1088.544
where: short stacking energy: -450.140
Base-Backbone interact. energy: -2.242
local terms energy: -463.798814
where:
bonds (distance) C4'-P energy: -92.207
bonds (distance) P-C4' energy: -113.766
flat angles C4'-P-C4' energy: -107.434
flat angles P-C4'-P energy: -54.386
tors. eta vs tors. theta energy: -96.005
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: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1169.904581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.904581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.904581 (E_RNA)
where:
Base-Base interactions energy: -689.480
where: short stacking energy: -338.280
Base-Backbone interact. energy: 0.597
local terms energy: -481.021204
where:
bonds (distance) C4'-P energy: -103.761
bonds (distance) P-C4' energy: -126.978
flat angles C4'-P-C4' energy: -112.681
flat angles P-C4'-P energy: -67.768
tors. eta vs tors. theta energy: -69.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -820.130688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.130688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.130688 (E_RNA)
where:
Base-Base interactions energy: -448.573
where: short stacking energy: -240.564
Base-Backbone interact. energy: 3.258
local terms energy: -374.816008
where:
bonds (distance) C4'-P energy: -100.630
bonds (distance) P-C4' energy: -103.265
flat angles C4'-P-C4' energy: -107.397
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -13.292
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: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -754.629628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.629628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.629628 (E_RNA)
where:
Base-Base interactions energy: -403.559
where: short stacking energy: -241.967
Base-Backbone interact. energy: -0.727
local terms energy: -350.343839
where:
bonds (distance) C4'-P energy: -84.116
bonds (distance) P-C4' energy: -107.615
flat angles C4'-P-C4' energy: -92.517
flat angles P-C4'-P energy: -52.611
tors. eta vs tors. theta energy: -13.486
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: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2331.974762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.974762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.974762 (E_RNA)
where:
Base-Base interactions energy: -1617.243
where: short stacking energy: -682.420
Base-Backbone interact. energy: 3.496
local terms energy: -718.227918
where:
bonds (distance) C4'-P energy: -130.960
bonds (distance) P-C4' energy: -130.991
flat angles C4'-P-C4' energy: -147.151
flat angles P-C4'-P energy: -108.842
tors. eta vs tors. theta energy: -200.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2254.397736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.397736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.397736 (E_RNA)
where:
Base-Base interactions energy: -1586.649
where: short stacking energy: -650.641
Base-Backbone interact. energy: 0.200
local terms energy: -667.948092
where:
bonds (distance) C4'-P energy: -128.051
bonds (distance) P-C4' energy: -121.207
flat angles C4'-P-C4' energy: -154.653
flat angles P-C4'-P energy: -93.322
tors. eta vs tors. theta energy: -170.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2137.227482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.227482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.227482 (E_RNA)
where:
Base-Base interactions energy: -1476.808
where: short stacking energy: -593.703
Base-Backbone interact. energy: -2.746
local terms energy: -657.673501
where:
bonds (distance) C4'-P energy: -122.016
bonds (distance) P-C4' energy: -120.832
flat angles C4'-P-C4' energy: -148.908
flat angles P-C4'-P energy: -99.069
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: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2066.564519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.564519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.564519 (E_RNA)
where:
Base-Base interactions energy: -1436.381
where: short stacking energy: -621.696
Base-Backbone interact. energy: -0.361
local terms energy: -629.821950
where:
bonds (distance) C4'-P energy: -108.479
bonds (distance) P-C4' energy: -118.150
flat angles C4'-P-C4' energy: -140.047
flat angles P-C4'-P energy: -86.508
tors. eta vs tors. theta energy: -176.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2009.330427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.330427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.330427 (E_RNA)
where:
Base-Base interactions energy: -1380.435
where: short stacking energy: -599.213
Base-Backbone interact. energy: -0.933
local terms energy: -627.962098
where:
bonds (distance) C4'-P energy: -108.976
bonds (distance) P-C4' energy: -111.167
flat angles C4'-P-C4' energy: -146.026
flat angles P-C4'-P energy: -88.586
tors. eta vs tors. theta energy: -173.207
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: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1788.716346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.716346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.716346 (E_RNA)
where:
Base-Base interactions energy: -1226.868
where: short stacking energy: -521.325
Base-Backbone interact. energy: -2.269
local terms energy: -559.580221
where:
bonds (distance) C4'-P energy: -101.172
bonds (distance) P-C4' energy: -131.597
flat angles C4'-P-C4' energy: -113.997
flat angles P-C4'-P energy: -81.923
tors. eta vs tors. theta energy: -130.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1591.557917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.557917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.557917 (E_RNA)
where:
Base-Base interactions energy: -1059.871
where: short stacking energy: -471.513
Base-Backbone interact. energy: -2.253
local terms energy: -529.434402
where:
bonds (distance) C4'-P energy: -125.679
bonds (distance) P-C4' energy: -105.323
flat angles C4'-P-C4' energy: -111.664
flat angles P-C4'-P energy: -75.896
tors. eta vs tors. theta energy: -110.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1124.465970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.465970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.465970 (E_RNA)
where:
Base-Base interactions energy: -711.025
where: short stacking energy: -345.567
Base-Backbone interact. energy: 3.317
local terms energy: -416.757768
where:
bonds (distance) C4'-P energy: -113.355
bonds (distance) P-C4' energy: -91.488
flat angles C4'-P-C4' energy: -110.935
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -65.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -819.155342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.155342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.155342 (E_RNA)
where:
Base-Base interactions energy: -428.553
where: short stacking energy: -212.720
Base-Backbone interact. energy: -3.347
local terms energy: -387.255428
where:
bonds (distance) C4'-P energy: -108.567
bonds (distance) P-C4' energy: -112.850
flat angles C4'-P-C4' energy: -95.665
flat angles P-C4'-P energy: -56.964
tors. eta vs tors. theta energy: -13.209
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: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -728.425116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.425116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.425116 (E_RNA)
where:
Base-Base interactions energy: -396.391
where: short stacking energy: -196.071
Base-Backbone interact. energy: -3.544
local terms energy: -328.490589
where:
bonds (distance) C4'-P energy: -102.253
bonds (distance) P-C4' energy: -81.253
flat angles C4'-P-C4' energy: -89.877
flat angles P-C4'-P energy: -75.678
tors. eta vs tors. theta energy: 20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2374.746010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.746010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.746010 (E_RNA)
where:
Base-Base interactions energy: -1633.004
where: short stacking energy: -690.990
Base-Backbone interact. energy: -0.769
local terms energy: -740.972761
where:
bonds (distance) C4'-P energy: -141.520
bonds (distance) P-C4' energy: -137.086
flat angles C4'-P-C4' energy: -160.739
flat angles P-C4'-P energy: -101.086
tors. eta vs tors. theta energy: -200.541
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: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2257.288914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.288914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.288914 (E_RNA)
where:
Base-Base interactions energy: -1569.621
where: short stacking energy: -647.248
Base-Backbone interact. energy: -3.724
local terms energy: -683.943710
where:
bonds (distance) C4'-P energy: -124.133
bonds (distance) P-C4' energy: -137.021
flat angles C4'-P-C4' energy: -150.715
flat angles P-C4'-P energy: -93.095
tors. eta vs tors. theta energy: -178.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2126.045283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.045283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.045283 (E_RNA)
where:
Base-Base interactions energy: -1460.355
where: short stacking energy: -583.254
Base-Backbone interact. energy: -2.329
local terms energy: -663.361338
where:
bonds (distance) C4'-P energy: -128.817
bonds (distance) P-C4' energy: -136.200
flat angles C4'-P-C4' energy: -145.537
flat angles P-C4'-P energy: -82.746
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: 4, replica: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2080.650707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.650707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.650707 (E_RNA)
where:
Base-Base interactions energy: -1440.034
where: short stacking energy: -610.881
Base-Backbone interact. energy: 1.065
local terms energy: -641.681417
where:
bonds (distance) C4'-P energy: -108.975
bonds (distance) P-C4' energy: -134.971
flat angles C4'-P-C4' energy: -131.806
flat angles P-C4'-P energy: -84.074
tors. eta vs tors. theta energy: -181.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2024.455525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.455525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.455525 (E_RNA)
where:
Base-Base interactions energy: -1402.449
where: short stacking energy: -603.202
Base-Backbone interact. energy: -3.403
local terms energy: -618.603619
where:
bonds (distance) C4'-P energy: -118.032
bonds (distance) P-C4' energy: -116.684
flat angles C4'-P-C4' energy: -126.551
flat angles P-C4'-P energy: -84.916
tors. eta vs tors. theta energy: -172.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1747.781382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.781382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.781382 (E_RNA)
where:
Base-Base interactions energy: -1186.166
where: short stacking energy: -512.260
Base-Backbone interact. energy: -1.395
local terms energy: -560.219532
where:
bonds (distance) C4'-P energy: -115.515
bonds (distance) P-C4' energy: -115.301
flat angles C4'-P-C4' energy: -133.655
flat angles P-C4'-P energy: -75.470
tors. eta vs tors. theta energy: -120.278
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: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1608.368200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.368200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.368200 (E_RNA)
where:
Base-Base interactions energy: -1058.111
where: short stacking energy: -455.762
Base-Backbone interact. energy: 2.238
local terms energy: -552.495401
where:
bonds (distance) C4'-P energy: -113.738
bonds (distance) P-C4' energy: -117.057
flat angles C4'-P-C4' energy: -127.888
flat angles P-C4'-P energy: -72.156
tors. eta vs tors. theta energy: -121.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1132.791684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.791684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.791684 (E_RNA)
where:
Base-Base interactions energy: -691.345
where: short stacking energy: -347.514
Base-Backbone interact. energy: 2.095
local terms energy: -443.541404
where:
bonds (distance) C4'-P energy: -99.663
bonds (distance) P-C4' energy: -109.050
flat angles C4'-P-C4' energy: -101.868
flat angles P-C4'-P energy: -73.318
tors. eta vs tors. theta energy: -59.642
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -828.023904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.023904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.023904 (E_RNA)
where:
Base-Base interactions energy: -433.942
where: short stacking energy: -250.288
Base-Backbone interact. energy: -0.214
local terms energy: -393.867608
where:
bonds (distance) C4'-P energy: -110.109
bonds (distance) P-C4' energy: -121.275
flat angles C4'-P-C4' energy: -116.317
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -681.703164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.703164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.703164 (E_RNA)
where:
Base-Base interactions energy: -348.010
where: short stacking energy: -192.070
Base-Backbone interact. energy: -3.662
local terms energy: -330.030500
where:
bonds (distance) C4'-P energy: -99.479
bonds (distance) P-C4' energy: -110.764
flat angles C4'-P-C4' energy: -98.057
flat angles P-C4'-P energy: -43.388
tors. eta vs tors. theta energy: 21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2361.379802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.379802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.379802 (E_RNA)
where:
Base-Base interactions energy: -1639.668
where: short stacking energy: -695.222
Base-Backbone interact. energy: -1.415
local terms energy: -720.297029
where:
bonds (distance) C4'-P energy: -136.413
bonds (distance) P-C4' energy: -132.853
flat angles C4'-P-C4' energy: -152.770
flat angles P-C4'-P energy: -101.085
tors. eta vs tors. theta energy: -197.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2288.269407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.269407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.269407 (E_RNA)
where:
Base-Base interactions energy: -1615.918
where: short stacking energy: -656.161
Base-Backbone interact. energy: 2.492
local terms energy: -674.843205
where:
bonds (distance) C4'-P energy: -130.799
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -155.371
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -171.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2122.868200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.868200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.868200 (E_RNA)
where:
Base-Base interactions energy: -1474.818
where: short stacking energy: -625.837
Base-Backbone interact. energy: -2.078
local terms energy: -645.971630
where:
bonds (distance) C4'-P energy: -125.906
bonds (distance) P-C4' energy: -124.739
flat angles C4'-P-C4' energy: -129.838
flat angles P-C4'-P energy: -95.504
tors. eta vs tors. theta energy: -169.985
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: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2088.702644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.702644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.702644 (E_RNA)
where:
Base-Base interactions energy: -1434.219
where: short stacking energy: -586.426
Base-Backbone interact. energy: 0.682
local terms energy: -655.165408
where:
bonds (distance) C4'-P energy: -125.713
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -130.487
flat angles P-C4'-P energy: -93.318
tors. eta vs tors. theta energy: -186.720
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: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1977.188457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.188457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.188457 (E_RNA)
where:
Base-Base interactions energy: -1374.879
where: short stacking energy: -592.068
Base-Backbone interact. energy: -1.277
local terms energy: -601.031734
where:
bonds (distance) C4'-P energy: -102.403
bonds (distance) P-C4' energy: -110.874
flat angles C4'-P-C4' energy: -132.956
flat angles P-C4'-P energy: -87.530
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: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1729.391716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.391716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.391716 (E_RNA)
where:
Base-Base interactions energy: -1178.666
where: short stacking energy: -502.378
Base-Backbone interact. energy: -3.872
local terms energy: -546.853214
where:
bonds (distance) C4'-P energy: -107.145
bonds (distance) P-C4' energy: -123.173
flat angles C4'-P-C4' energy: -130.715
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -114.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1625.817067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.817067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.817067 (E_RNA)
where:
Base-Base interactions energy: -1086.836
where: short stacking energy: -476.089
Base-Backbone interact. energy: -1.552
local terms energy: -537.428744
where:
bonds (distance) C4'-P energy: -106.325
bonds (distance) P-C4' energy: -116.228
flat angles C4'-P-C4' energy: -129.891
flat angles P-C4'-P energy: -77.802
tors. eta vs tors. theta energy: -107.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1115.578934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.578934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.578934 (E_RNA)
where:
Base-Base interactions energy: -650.893
where: short stacking energy: -316.240
Base-Backbone interact. energy: -0.550
local terms energy: -464.135936
where:
bonds (distance) C4'-P energy: -121.536
bonds (distance) P-C4' energy: -115.074
flat angles C4'-P-C4' energy: -118.597
flat angles P-C4'-P energy: -69.755
tors. eta vs tors. theta energy: -39.175
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: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -820.354516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.354516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.354516 (E_RNA)
where:
Base-Base interactions energy: -420.668
where: short stacking energy: -250.164
Base-Backbone interact. energy: 5.361
local terms energy: -405.047177
where:
bonds (distance) C4'-P energy: -101.972
bonds (distance) P-C4' energy: -110.784
flat angles C4'-P-C4' energy: -108.680
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: -33.798
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: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -721.591937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.591937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.591937 (E_RNA)
where:
Base-Base interactions energy: -337.130
where: short stacking energy: -203.223
Base-Backbone interact. energy: -1.267
local terms energy: -383.195279
where:
bonds (distance) C4'-P energy: -106.138
bonds (distance) P-C4' energy: -120.409
flat angles C4'-P-C4' energy: -109.693
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: 1.535
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: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2351.654831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.654831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.654831 (E_RNA)
where:
Base-Base interactions energy: -1645.388
where: short stacking energy: -693.405
Base-Backbone interact. energy: -1.672
local terms energy: -704.594530
where:
bonds (distance) C4'-P energy: -130.588
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -148.341
flat angles P-C4'-P energy: -103.450
tors. eta vs tors. theta energy: -198.934
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: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2270.599158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.599158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.599158 (E_RNA)
where:
Base-Base interactions energy: -1586.410
where: short stacking energy: -640.600
Base-Backbone interact. energy: -4.112
local terms energy: -680.077312
where:
bonds (distance) C4'-P energy: -118.952
bonds (distance) P-C4' energy: -133.393
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -98.165
tors. eta vs tors. theta energy: -178.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2115.944568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.944568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.944568 (E_RNA)
where:
Base-Base interactions energy: -1460.580
where: short stacking energy: -592.819
Base-Backbone interact. energy: -4.079
local terms energy: -651.285098
where:
bonds (distance) C4'-P energy: -115.775
bonds (distance) P-C4' energy: -124.007
flat angles C4'-P-C4' energy: -145.505
flat angles P-C4'-P energy: -94.574
tors. eta vs tors. theta energy: -171.424
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: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2070.630359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.630359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.630359 (E_RNA)
where:
Base-Base interactions energy: -1397.909
where: short stacking energy: -598.319
Base-Backbone interact. energy: -1.983
local terms energy: -670.738324
where:
bonds (distance) C4'-P energy: -120.233
bonds (distance) P-C4' energy: -129.529
flat angles C4'-P-C4' energy: -138.340
flat angles P-C4'-P energy: -103.536
tors. eta vs tors. theta energy: -179.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2013.967297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.967297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.967297 (E_RNA)
where:
Base-Base interactions energy: -1386.337
where: short stacking energy: -590.361
Base-Backbone interact. energy: 4.015
local terms energy: -631.644967
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -132.551
flat angles C4'-P-C4' energy: -146.510
flat angles P-C4'-P energy: -78.566
tors. eta vs tors. theta energy: -163.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1732.820199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.820199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.820199 (E_RNA)
where:
Base-Base interactions energy: -1154.185
where: short stacking energy: -510.968
Base-Backbone interact. energy: -0.861
local terms energy: -577.774366
where:
bonds (distance) C4'-P energy: -110.036
bonds (distance) P-C4' energy: -118.917
flat angles C4'-P-C4' energy: -131.953
flat angles P-C4'-P energy: -76.294
tors. eta vs tors. theta energy: -140.576
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1652.406620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.406620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.406620 (E_RNA)
where:
Base-Base interactions energy: -1101.218
where: short stacking energy: -494.628
Base-Backbone interact. energy: -2.274
local terms energy: -548.914463
where:
bonds (distance) C4'-P energy: -115.190
bonds (distance) P-C4' energy: -128.935
flat angles C4'-P-C4' energy: -105.042
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -121.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1174.401916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.401916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.401916 (E_RNA)
where:
Base-Base interactions energy: -722.521
where: short stacking energy: -339.829
Base-Backbone interact. energy: -1.917
local terms energy: -449.963445
where:
bonds (distance) C4'-P energy: -107.582
bonds (distance) P-C4' energy: -110.389
flat angles C4'-P-C4' energy: -114.562
flat angles P-C4'-P energy: -65.699
tors. eta vs tors. theta energy: -51.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -820.729602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.729602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.729602 (E_RNA)
where:
Base-Base interactions energy: -422.835
where: short stacking energy: -245.285
Base-Backbone interact. energy: 1.058
local terms energy: -398.952808
where:
bonds (distance) C4'-P energy: -116.959
bonds (distance) P-C4' energy: -113.286
flat angles C4'-P-C4' energy: -88.060
flat angles P-C4'-P energy: -73.457
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -748.136156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.136156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.136156 (E_RNA)
where:
Base-Base interactions energy: -398.360
where: short stacking energy: -218.936
Base-Backbone interact. energy: -0.469
local terms energy: -349.307044
where:
bonds (distance) C4'-P energy: -105.605
bonds (distance) P-C4' energy: -127.735
flat angles C4'-P-C4' energy: -79.381
flat angles P-C4'-P energy: -42.642
tors. eta vs tors. theta energy: 6.056
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: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2325.135512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.135512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.135512 (E_RNA)
where:
Base-Base interactions energy: -1628.914
where: short stacking energy: -688.290
Base-Backbone interact. energy: 0.328
local terms energy: -696.550055
where:
bonds (distance) C4'-P energy: -115.082
bonds (distance) P-C4' energy: -132.726
flat angles C4'-P-C4' energy: -151.521
flat angles P-C4'-P energy: -103.129
tors. eta vs tors. theta energy: -194.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2256.317777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.317777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.317777 (E_RNA)
where:
Base-Base interactions energy: -1589.175
where: short stacking energy: -646.645
Base-Backbone interact. energy: -3.036
local terms energy: -664.106982
where:
bonds (distance) C4'-P energy: -113.062
bonds (distance) P-C4' energy: -132.666
flat angles C4'-P-C4' energy: -141.885
flat angles P-C4'-P energy: -96.883
tors. eta vs tors. theta energy: -179.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2126.846784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.846784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.846784 (E_RNA)
where:
Base-Base interactions energy: -1459.701
where: short stacking energy: -583.832
Base-Backbone interact. energy: -3.304
local terms energy: -663.842541
where:
bonds (distance) C4'-P energy: -117.032
bonds (distance) P-C4' energy: -131.905
flat angles C4'-P-C4' energy: -149.318
flat angles P-C4'-P energy: -99.006
tors. eta vs tors. theta energy: -166.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2021.447207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.447207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.447207 (E_RNA)
where:
Base-Base interactions energy: -1378.412
where: short stacking energy: -605.617
Base-Backbone interact. energy: -1.949
local terms energy: -641.086515
where:
bonds (distance) C4'-P energy: -119.582
bonds (distance) P-C4' energy: -112.776
flat angles C4'-P-C4' energy: -142.527
flat angles P-C4'-P energy: -100.063
tors. eta vs tors. theta energy: -166.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1972.815381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.815381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.815381 (E_RNA)
where:
Base-Base interactions energy: -1341.318
where: short stacking energy: -583.237
Base-Backbone interact. energy: -3.186
local terms energy: -628.311572
where:
bonds (distance) C4'-P energy: -103.086
bonds (distance) P-C4' energy: -122.363
flat angles C4'-P-C4' energy: -151.956
flat angles P-C4'-P energy: -79.466
tors. eta vs tors. theta energy: -171.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1710.982687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.982687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.982687 (E_RNA)
where:
Base-Base interactions energy: -1145.222
where: short stacking energy: -528.924
Base-Backbone interact. energy: -0.037
local terms energy: -565.723857
where:
bonds (distance) C4'-P energy: -122.384
bonds (distance) P-C4' energy: -117.428
flat angles C4'-P-C4' energy: -128.013
flat angles P-C4'-P energy: -70.704
tors. eta vs tors. theta energy: -127.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1641.524018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.524018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.524018 (E_RNA)
where:
Base-Base interactions energy: -1101.157
where: short stacking energy: -465.246
Base-Backbone interact. energy: 1.524
local terms energy: -541.890817
where:
bonds (distance) C4'-P energy: -114.281
bonds (distance) P-C4' energy: -106.910
flat angles C4'-P-C4' energy: -126.798
flat angles P-C4'-P energy: -79.805
tors. eta vs tors. theta energy: -114.097
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: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1132.671190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.671190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.671190 (E_RNA)
where:
Base-Base interactions energy: -685.516
where: short stacking energy: -309.421
Base-Backbone interact. energy: 10.025
local terms energy: -457.180642
where:
bonds (distance) C4'-P energy: -108.044
bonds (distance) P-C4' energy: -116.388
flat angles C4'-P-C4' energy: -119.677
flat angles P-C4'-P energy: -85.316
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -771.319506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.319506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.319506 (E_RNA)
where:
Base-Base interactions energy: -399.566
where: short stacking energy: -200.411
Base-Backbone interact. energy: -1.281
local terms energy: -370.472240
where:
bonds (distance) C4'-P energy: -109.283
bonds (distance) P-C4' energy: -95.184
flat angles C4'-P-C4' energy: -90.962
flat angles P-C4'-P energy: -64.261
tors. eta vs tors. theta energy: -10.783
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: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -710.229095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.229095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.229095 (E_RNA)
where:
Base-Base interactions energy: -360.531
where: short stacking energy: -217.045
Base-Backbone interact. energy: 4.962
local terms energy: -354.659437
where:
bonds (distance) C4'-P energy: -82.070
bonds (distance) P-C4' energy: -120.681
flat angles C4'-P-C4' energy: -94.106
flat angles P-C4'-P energy: -45.468
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: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2290.298131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.298131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.298131 (E_RNA)
where:
Base-Base interactions energy: -1586.731
where: short stacking energy: -689.410
Base-Backbone interact. energy: -2.632
local terms energy: -700.935015
where:
bonds (distance) C4'-P energy: -130.305
bonds (distance) P-C4' energy: -126.427
flat angles C4'-P-C4' energy: -152.756
flat angles P-C4'-P energy: -106.528
tors. eta vs tors. theta energy: -184.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2243.692723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.692723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.692723 (E_RNA)
where:
Base-Base interactions energy: -1574.837
where: short stacking energy: -645.237
Base-Backbone interact. energy: -3.136
local terms energy: -665.720395
where:
bonds (distance) C4'-P energy: -121.440
bonds (distance) P-C4' energy: -122.382
flat angles C4'-P-C4' energy: -134.921
flat angles P-C4'-P energy: -103.763
tors. eta vs tors. theta energy: -183.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2141.543808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.543808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.543808 (E_RNA)
where:
Base-Base interactions energy: -1492.092
where: short stacking energy: -578.285
Base-Backbone interact. energy: -4.332
local terms energy: -645.119880
where:
bonds (distance) C4'-P energy: -120.980
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -148.028
flat angles P-C4'-P energy: -89.837
tors. eta vs tors. theta energy: -159.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2100.042058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.042058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.042058 (E_RNA)
where:
Base-Base interactions energy: -1439.969
where: short stacking energy: -612.076
Base-Backbone interact. energy: -0.941
local terms energy: -659.131923
where:
bonds (distance) C4'-P energy: -117.367
bonds (distance) P-C4' energy: -136.589
flat angles C4'-P-C4' energy: -146.973
flat angles P-C4'-P energy: -84.651
tors. eta vs tors. theta energy: -173.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2003.920355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.920355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.920355 (E_RNA)
where:
Base-Base interactions energy: -1351.682
where: short stacking energy: -591.959
Base-Backbone interact. energy: -3.829
local terms energy: -648.408813
where:
bonds (distance) C4'-P energy: -119.326
bonds (distance) P-C4' energy: -125.454
flat angles C4'-P-C4' energy: -145.977
flat angles P-C4'-P energy: -93.836
tors. eta vs tors. theta energy: -163.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1762.976869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.976869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.976869 (E_RNA)
where:
Base-Base interactions energy: -1190.068
where: short stacking energy: -520.630
Base-Backbone interact. energy: 0.041
local terms energy: -572.949401
where:
bonds (distance) C4'-P energy: -111.308
bonds (distance) P-C4' energy: -113.632
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -76.312
tors. eta vs tors. theta energy: -137.564
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1644.736639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.736639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.736639 (E_RNA)
where:
Base-Base interactions energy: -1117.232
where: short stacking energy: -477.972
Base-Backbone interact. energy: 0.589
local terms energy: -528.093425
where:
bonds (distance) C4'-P energy: -95.729
bonds (distance) P-C4' energy: -105.309
flat angles C4'-P-C4' energy: -142.071
flat angles P-C4'-P energy: -74.329
tors. eta vs tors. theta energy: -110.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1091.008014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.008014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.008014 (E_RNA)
where:
Base-Base interactions energy: -610.234
where: short stacking energy: -306.058
Base-Backbone interact. energy: -1.656
local terms energy: -479.118246
where:
bonds (distance) C4'-P energy: -103.120
bonds (distance) P-C4' energy: -125.201
flat angles C4'-P-C4' energy: -126.812
flat angles P-C4'-P energy: -79.167
tors. eta vs tors. theta energy: -44.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -787.898858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.898858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.898858 (E_RNA)
where:
Base-Base interactions energy: -399.029
where: short stacking energy: -219.281
Base-Backbone interact. energy: -2.639
local terms energy: -386.230074
where:
bonds (distance) C4'-P energy: -103.952
bonds (distance) P-C4' energy: -107.811
flat angles C4'-P-C4' energy: -98.611
flat angles P-C4'-P energy: -66.294
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -772.117135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.117135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.117135 (E_RNA)
where:
Base-Base interactions energy: -398.927
where: short stacking energy: -235.213
Base-Backbone interact. energy: 2.307
local terms energy: -375.496866
where:
bonds (distance) C4'-P energy: -106.828
bonds (distance) P-C4' energy: -112.166
flat angles C4'-P-C4' energy: -86.885
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -8.191
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: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2311.246922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.246922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.246922 (E_RNA)
where:
Base-Base interactions energy: -1608.656
where: short stacking energy: -681.219
Base-Backbone interact. energy: -3.820
local terms energy: -698.770892
where:
bonds (distance) C4'-P energy: -138.599
bonds (distance) P-C4' energy: -136.278
flat angles C4'-P-C4' energy: -148.076
flat angles P-C4'-P energy: -87.826
tors. eta vs tors. theta energy: -187.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2264.568519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.568519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.568519 (E_RNA)
where:
Base-Base interactions energy: -1569.295
where: short stacking energy: -625.388
Base-Backbone interact. energy: -3.340
local terms energy: -691.933022
where:
bonds (distance) C4'-P energy: -127.029
bonds (distance) P-C4' energy: -134.867
flat angles C4'-P-C4' energy: -148.758
flat angles P-C4'-P energy: -97.638
tors. eta vs tors. theta energy: -183.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2154.881445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.881445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.881445 (E_RNA)
where:
Base-Base interactions energy: -1492.842
where: short stacking energy: -580.904
Base-Backbone interact. energy: 3.670
local terms energy: -665.709534
where:
bonds (distance) C4'-P energy: -114.889
bonds (distance) P-C4' energy: -136.707
flat angles C4'-P-C4' energy: -150.052
flat angles P-C4'-P energy: -105.384
tors. eta vs tors. theta energy: -158.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2054.158696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.158696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.158696 (E_RNA)
where:
Base-Base interactions energy: -1413.606
where: short stacking energy: -600.059
Base-Backbone interact. energy: 4.502
local terms energy: -645.054369
where:
bonds (distance) C4'-P energy: -118.519
bonds (distance) P-C4' energy: -124.647
flat angles C4'-P-C4' energy: -127.769
flat angles P-C4'-P energy: -107.769
tors. eta vs tors. theta energy: -166.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1954.367188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.367188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.367188 (E_RNA)
where:
Base-Base interactions energy: -1335.096
where: short stacking energy: -556.389
Base-Backbone interact. energy: 3.916
local terms energy: -623.187805
where:
bonds (distance) C4'-P energy: -110.723
bonds (distance) P-C4' energy: -115.417
flat angles C4'-P-C4' energy: -135.212
flat angles P-C4'-P energy: -99.666
tors. eta vs tors. theta energy: -162.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1737.261218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.261218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.261218 (E_RNA)
where:
Base-Base interactions energy: -1196.336
where: short stacking energy: -515.201
Base-Backbone interact. energy: -0.656
local terms energy: -540.269194
where:
bonds (distance) C4'-P energy: -99.438
bonds (distance) P-C4' energy: -97.882
flat angles C4'-P-C4' energy: -133.310
flat angles P-C4'-P energy: -74.441
tors. eta vs tors. theta energy: -135.198
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1640.994409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.994409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.994409 (E_RNA)
where:
Base-Base interactions energy: -1078.406
where: short stacking energy: -457.128
Base-Backbone interact. energy: 0.240
local terms energy: -562.828589
where:
bonds (distance) C4'-P energy: -113.645
bonds (distance) P-C4' energy: -112.757
flat angles C4'-P-C4' energy: -133.830
flat angles P-C4'-P energy: -85.897
tors. eta vs tors. theta energy: -116.700
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: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1146.633685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.633685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.633685 (E_RNA)
where:
Base-Base interactions energy: -738.734
where: short stacking energy: -338.456
Base-Backbone interact. energy: -2.885
local terms energy: -405.015047
where:
bonds (distance) C4'-P energy: -86.806
bonds (distance) P-C4' energy: -101.097
flat angles C4'-P-C4' energy: -85.265
flat angles P-C4'-P energy: -72.413
tors. eta vs tors. theta energy: -59.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -778.442049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.442049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.442049 (E_RNA)
where:
Base-Base interactions energy: -425.424
where: short stacking energy: -243.845
Base-Backbone interact. energy: 1.407
local terms energy: -354.425329
where:
bonds (distance) C4'-P energy: -106.375
bonds (distance) P-C4' energy: -102.909
flat angles C4'-P-C4' energy: -84.400
flat angles P-C4'-P energy: -55.520
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -795.475962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.475962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.475962 (E_RNA)
where:
Base-Base interactions energy: -446.284
where: short stacking energy: -242.964
Base-Backbone interact. energy: 2.916
local terms energy: -352.108282
where:
bonds (distance) C4'-P energy: -92.619
bonds (distance) P-C4' energy: -99.288
flat angles C4'-P-C4' energy: -91.078
flat angles P-C4'-P energy: -56.373
tors. eta vs tors. theta energy: -12.749
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: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2325.682240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.682240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.682240 (E_RNA)
where:
Base-Base interactions energy: -1613.338
where: short stacking energy: -697.421
Base-Backbone interact. energy: 6.736
local terms energy: -719.080262
where:
bonds (distance) C4'-P energy: -138.051
bonds (distance) P-C4' energy: -124.857
flat angles C4'-P-C4' energy: -152.810
flat angles P-C4'-P energy: -109.655
tors. eta vs tors. theta energy: -193.707
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: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2265.505934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.505934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.505934 (E_RNA)
where:
Base-Base interactions energy: -1577.950
where: short stacking energy: -626.260
Base-Backbone interact. energy: -3.646
local terms energy: -683.909831
where:
bonds (distance) C4'-P energy: -123.992
bonds (distance) P-C4' energy: -135.514
flat angles C4'-P-C4' energy: -147.278
flat angles P-C4'-P energy: -99.489
tors. eta vs tors. theta energy: -177.638
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: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2159.424128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.424128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.424128 (E_RNA)
where:
Base-Base interactions energy: -1512.777
where: short stacking energy: -600.270
Base-Backbone interact. energy: -2.530
local terms energy: -644.117162
where:
bonds (distance) C4'-P energy: -125.903
bonds (distance) P-C4' energy: -120.470
flat angles C4'-P-C4' energy: -141.872
flat angles P-C4'-P energy: -95.151
tors. eta vs tors. theta energy: -160.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2076.188849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.188849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.188849 (E_RNA)
where:
Base-Base interactions energy: -1418.450
where: short stacking energy: -619.134
Base-Backbone interact. energy: -2.107
local terms energy: -655.632151
where:
bonds (distance) C4'-P energy: -115.342
bonds (distance) P-C4' energy: -123.438
flat angles C4'-P-C4' energy: -146.609
flat angles P-C4'-P energy: -94.824
tors. eta vs tors. theta energy: -175.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1991.236786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.236786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.236786 (E_RNA)
where:
Base-Base interactions energy: -1384.345
where: short stacking energy: -589.055
Base-Backbone interact. energy: -3.451
local terms energy: -603.441292
where:
bonds (distance) C4'-P energy: -107.720
bonds (distance) P-C4' energy: -111.653
flat angles C4'-P-C4' energy: -124.334
flat angles P-C4'-P energy: -88.699
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1665.426168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.426168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.426168 (E_RNA)
where:
Base-Base interactions energy: -1114.340
where: short stacking energy: -476.710
Base-Backbone interact. energy: -2.953
local terms energy: -548.132666
where:
bonds (distance) C4'-P energy: -110.564
bonds (distance) P-C4' energy: -114.630
flat angles C4'-P-C4' energy: -127.912
flat angles P-C4'-P energy: -81.746
tors. eta vs tors. theta energy: -113.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1693.452687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.452687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.452687 (E_RNA)
where:
Base-Base interactions energy: -1151.613
where: short stacking energy: -510.315
Base-Backbone interact. energy: 1.024
local terms energy: -542.863761
where:
bonds (distance) C4'-P energy: -104.096
bonds (distance) P-C4' energy: -122.555
flat angles C4'-P-C4' energy: -120.933
flat angles P-C4'-P energy: -71.632
tors. eta vs tors. theta energy: -123.648
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: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1157.915372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.915372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.915372 (E_RNA)
where:
Base-Base interactions energy: -730.648
where: short stacking energy: -349.845
Base-Backbone interact. energy: -0.957
local terms energy: -426.311068
where:
bonds (distance) C4'-P energy: -105.869
bonds (distance) P-C4' energy: -117.042
flat angles C4'-P-C4' energy: -90.192
flat angles P-C4'-P energy: -68.778
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -796.069331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.069331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.069331 (E_RNA)
where:
Base-Base interactions energy: -419.031
where: short stacking energy: -246.725
Base-Backbone interact. energy: 9.844
local terms energy: -386.882038
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -113.147
flat angles C4'-P-C4' energy: -76.102
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -18.183
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: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -797.131320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.131320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.131320 (E_RNA)
where:
Base-Base interactions energy: -431.949
where: short stacking energy: -233.505
Base-Backbone interact. energy: 0.302
local terms energy: -365.484183
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -98.480
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -58.091
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2326.576185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.576185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.576185 (E_RNA)
where:
Base-Base interactions energy: -1614.607
where: short stacking energy: -652.347
Base-Backbone interact. energy: -4.071
local terms energy: -707.898215
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -135.752
flat angles C4'-P-C4' energy: -151.538
flat angles P-C4'-P energy: -97.794
tors. eta vs tors. theta energy: -181.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2263.786743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.786743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.786743 (E_RNA)
where:
Base-Base interactions energy: -1566.568
where: short stacking energy: -675.024
Base-Backbone interact. energy: -0.833
local terms energy: -696.385558
where:
bonds (distance) C4'-P energy: -130.937
bonds (distance) P-C4' energy: -124.987
flat angles C4'-P-C4' energy: -152.387
flat angles P-C4'-P energy: -103.559
tors. eta vs tors. theta energy: -184.514
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2175.363038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.363038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.363038 (E_RNA)
where:
Base-Base interactions energy: -1495.552
where: short stacking energy: -617.133
Base-Backbone interact. energy: -4.519
local terms energy: -675.292467
where:
bonds (distance) C4'-P energy: -138.094
bonds (distance) P-C4' energy: -121.296
flat angles C4'-P-C4' energy: -136.526
flat angles P-C4'-P energy: -94.907
tors. eta vs tors. theta energy: -184.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2093.546650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.546650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.546650 (E_RNA)
where:
Base-Base interactions energy: -1432.717
where: short stacking energy: -630.718
Base-Backbone interact. energy: 0.567
local terms energy: -661.396682
where:
bonds (distance) C4'-P energy: -124.096
bonds (distance) P-C4' energy: -126.289
flat angles C4'-P-C4' energy: -141.486
flat angles P-C4'-P energy: -80.192
tors. eta vs tors. theta energy: -189.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2020.039571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.039571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.039571 (E_RNA)
where:
Base-Base interactions energy: -1357.946
where: short stacking energy: -601.958
Base-Backbone interact. energy: -3.476
local terms energy: -658.617858
where:
bonds (distance) C4'-P energy: -111.150
bonds (distance) P-C4' energy: -128.678
flat angles C4'-P-C4' energy: -145.295
flat angles P-C4'-P energy: -91.654
tors. eta vs tors. theta energy: -181.841
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: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1646.107888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.107888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.107888 (E_RNA)
where:
Base-Base interactions energy: -1105.360
where: short stacking energy: -486.929
Base-Backbone interact. energy: 1.748
local terms energy: -542.495260
where:
bonds (distance) C4'-P energy: -118.701
bonds (distance) P-C4' energy: -127.709
flat angles C4'-P-C4' energy: -120.065
flat angles P-C4'-P energy: -66.018
tors. eta vs tors. theta energy: -110.002
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1644.463001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.463001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.463001 (E_RNA)
where:
Base-Base interactions energy: -1115.698
where: short stacking energy: -479.471
Base-Backbone interact. energy: -0.607
local terms energy: -528.158218
where:
bonds (distance) C4'-P energy: -112.699
bonds (distance) P-C4' energy: -111.875
flat angles C4'-P-C4' energy: -113.385
flat angles P-C4'-P energy: -79.524
tors. eta vs tors. theta energy: -110.676
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1211.670373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.670373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.670373 (E_RNA)
where:
Base-Base interactions energy: -727.229
where: short stacking energy: -357.475
Base-Backbone interact. energy: 1.542
local terms energy: -485.983598
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -117.674
flat angles C4'-P-C4' energy: -115.442
flat angles P-C4'-P energy: -70.553
tors. eta vs tors. theta energy: -52.177
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: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -804.201316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.201316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.201316 (E_RNA)
where:
Base-Base interactions energy: -411.663
where: short stacking energy: -224.875
Base-Backbone interact. energy: 1.116
local terms energy: -393.653899
where:
bonds (distance) C4'-P energy: -99.591
bonds (distance) P-C4' energy: -119.413
flat angles C4'-P-C4' energy: -85.189
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -770.357504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.357504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.357504 (E_RNA)
where:
Base-Base interactions energy: -393.300
where: short stacking energy: -229.736
Base-Backbone interact. energy: 2.139
local terms energy: -379.195911
where:
bonds (distance) C4'-P energy: -103.117
bonds (distance) P-C4' energy: -92.329
flat angles C4'-P-C4' energy: -96.641
flat angles P-C4'-P energy: -63.788
tors. eta vs tors. theta energy: -23.321
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: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2315.353242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.353242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.353242 (E_RNA)
where:
Base-Base interactions energy: -1635.479
where: short stacking energy: -656.582
Base-Backbone interact. energy: -3.250
local terms energy: -676.624439
where:
bonds (distance) C4'-P energy: -111.285
bonds (distance) P-C4' energy: -139.432
flat angles C4'-P-C4' energy: -149.555
flat angles P-C4'-P energy: -99.856
tors. eta vs tors. theta energy: -176.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2254.162961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.162961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.162961 (E_RNA)
where:
Base-Base interactions energy: -1574.215
where: short stacking energy: -662.301
Base-Backbone interact. energy: -6.757
local terms energy: -673.190574
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -115.120
flat angles C4'-P-C4' energy: -151.754
flat angles P-C4'-P energy: -108.546
tors. eta vs tors. theta energy: -187.095
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: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2143.763149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.763149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.763149 (E_RNA)
where:
Base-Base interactions energy: -1486.709
where: short stacking energy: -612.664
Base-Backbone interact. energy: -5.493
local terms energy: -651.560348
where:
bonds (distance) C4'-P energy: -123.994
bonds (distance) P-C4' energy: -113.785
flat angles C4'-P-C4' energy: -133.979
flat angles P-C4'-P energy: -112.584
tors. eta vs tors. theta energy: -167.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2109.506351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.506351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.506351 (E_RNA)
where:
Base-Base interactions energy: -1424.027
where: short stacking energy: -632.178
Base-Backbone interact. energy: -0.072
local terms energy: -685.407754
where:
bonds (distance) C4'-P energy: -125.627
bonds (distance) P-C4' energy: -131.415
flat angles C4'-P-C4' energy: -145.119
flat angles P-C4'-P energy: -92.554
tors. eta vs tors. theta energy: -190.693
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1982.925829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.925829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.925829 (E_RNA)
where:
Base-Base interactions energy: -1369.736
where: short stacking energy: -581.093
Base-Backbone interact. energy: 2.043
local terms energy: -615.232593
where:
bonds (distance) C4'-P energy: -108.791
bonds (distance) P-C4' energy: -113.872
flat angles C4'-P-C4' energy: -137.004
flat angles P-C4'-P energy: -80.499
tors. eta vs tors. theta energy: -175.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1704.935313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.935313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.935313 (E_RNA)
where:
Base-Base interactions energy: -1160.722
where: short stacking energy: -511.155
Base-Backbone interact. energy: 0.286
local terms energy: -544.499417
where:
bonds (distance) C4'-P energy: -99.769
bonds (distance) P-C4' energy: -123.596
flat angles C4'-P-C4' energy: -119.425
flat angles P-C4'-P energy: -75.285
tors. eta vs tors. theta energy: -126.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1585.203217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.203217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.203217 (E_RNA)
where:
Base-Base interactions energy: -1081.129
where: short stacking energy: -473.972
Base-Backbone interact. energy: -1.579
local terms energy: -502.494576
where:
bonds (distance) C4'-P energy: -97.632
bonds (distance) P-C4' energy: -93.520
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -83.861
tors. eta vs tors. theta energy: -106.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1162.066973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.066973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.066973 (E_RNA)
where:
Base-Base interactions energy: -710.288
where: short stacking energy: -343.251
Base-Backbone interact. energy: -1.274
local terms energy: -450.505114
where:
bonds (distance) C4'-P energy: -110.157
bonds (distance) P-C4' energy: -107.337
flat angles C4'-P-C4' energy: -125.917
flat angles P-C4'-P energy: -58.663
tors. eta vs tors. theta energy: -48.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -814.039540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.039540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.039540 (E_RNA)
where:
Base-Base interactions energy: -411.046
where: short stacking energy: -214.703
Base-Backbone interact. energy: -0.118
local terms energy: -402.875483
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -104.769
flat angles C4'-P-C4' energy: -114.710
flat angles P-C4'-P energy: -65.598
tors. eta vs tors. theta energy: -2.260
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: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -767.836323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.836323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.836323 (E_RNA)
where:
Base-Base interactions energy: -392.938
where: short stacking energy: -207.781
Base-Backbone interact. energy: 9.960
local terms energy: -384.858418
where:
bonds (distance) C4'-P energy: -113.935
bonds (distance) P-C4' energy: -103.497
flat angles C4'-P-C4' energy: -96.813
flat angles P-C4'-P energy: -76.443
tors. eta vs tors. theta energy: 5.829
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: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2293.071029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.071029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.071029 (E_RNA)
where:
Base-Base interactions energy: -1615.736
where: short stacking energy: -652.031
Base-Backbone interact. energy: 5.816
local terms energy: -683.151340
where:
bonds (distance) C4'-P energy: -136.007
bonds (distance) P-C4' energy: -128.135
flat angles C4'-P-C4' energy: -136.266
flat angles P-C4'-P energy: -110.067
tors. eta vs tors. theta energy: -172.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2241.483728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.483728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.483728 (E_RNA)
where:
Base-Base interactions energy: -1570.280
where: short stacking energy: -656.775
Base-Backbone interact. energy: -3.323
local terms energy: -667.880964
where:
bonds (distance) C4'-P energy: -130.190
bonds (distance) P-C4' energy: -130.260
flat angles C4'-P-C4' energy: -134.841
flat angles P-C4'-P energy: -90.083
tors. eta vs tors. theta energy: -182.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2180.126707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.126707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.126707 (E_RNA)
where:
Base-Base interactions energy: -1512.337
where: short stacking energy: -593.974
Base-Backbone interact. energy: -4.856
local terms energy: -662.933949
where:
bonds (distance) C4'-P energy: -128.175
bonds (distance) P-C4' energy: -135.264
flat angles C4'-P-C4' energy: -135.882
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -168.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2074.181288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.181288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.181288 (E_RNA)
where:
Base-Base interactions energy: -1430.367
where: short stacking energy: -618.967
Base-Backbone interact. energy: -1.184
local terms energy: -642.629992
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -130.456
flat angles P-C4'-P energy: -88.943
tors. eta vs tors. theta energy: -180.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2036.031339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.031339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.031339 (E_RNA)
where:
Base-Base interactions energy: -1384.699
where: short stacking energy: -593.134
Base-Backbone interact. energy: -4.169
local terms energy: -647.163324
where:
bonds (distance) C4'-P energy: -116.870
bonds (distance) P-C4' energy: -114.662
flat angles C4'-P-C4' energy: -145.614
flat angles P-C4'-P energy: -79.661
tors. eta vs tors. theta energy: -190.355
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: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1741.256598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.256598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.256598 (E_RNA)
where:
Base-Base interactions energy: -1165.147
where: short stacking energy: -497.468
Base-Backbone interact. energy: -3.342
local terms energy: -572.768126
where:
bonds (distance) C4'-P energy: -127.652
bonds (distance) P-C4' energy: -115.184
flat angles C4'-P-C4' energy: -122.796
flat angles P-C4'-P energy: -83.754
tors. eta vs tors. theta energy: -123.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1550.277860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.277860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.277860 (E_RNA)
where:
Base-Base interactions energy: -1041.437
where: short stacking energy: -449.475
Base-Backbone interact. energy: 0.268
local terms energy: -509.108867
where:
bonds (distance) C4'-P energy: -128.224
bonds (distance) P-C4' energy: -108.061
flat angles C4'-P-C4' energy: -111.655
flat angles P-C4'-P energy: -63.038
tors. eta vs tors. theta energy: -98.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1091.457600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.457600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.457600 (E_RNA)
where:
Base-Base interactions energy: -676.112
where: short stacking energy: -333.958
Base-Backbone interact. energy: -0.170
local terms energy: -415.174652
where:
bonds (distance) C4'-P energy: -83.419
bonds (distance) P-C4' energy: -94.801
flat angles C4'-P-C4' energy: -108.416
flat angles P-C4'-P energy: -83.712
tors. eta vs tors. theta energy: -44.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -841.455845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.455845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.455845 (E_RNA)
where:
Base-Base interactions energy: -445.686
where: short stacking energy: -254.554
Base-Backbone interact. energy: 3.127
local terms energy: -398.896535
where:
bonds (distance) C4'-P energy: -96.085
bonds (distance) P-C4' energy: -100.924
flat angles C4'-P-C4' energy: -112.853
flat angles P-C4'-P energy: -59.383
tors. eta vs tors. theta energy: -29.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -698.036517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.036517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.036517 (E_RNA)
where:
Base-Base interactions energy: -372.791
where: short stacking energy: -192.593
Base-Backbone interact. energy: -2.717
local terms energy: -322.528119
where:
bonds (distance) C4'-P energy: -87.199
bonds (distance) P-C4' energy: -111.119
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -57.587
tors. eta vs tors. theta energy: 13.398
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: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2301.612007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.612007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.612007 (E_RNA)
where:
Base-Base interactions energy: -1612.782
where: short stacking energy: -633.791
Base-Backbone interact. energy: -3.449
local terms energy: -685.380402
where:
bonds (distance) C4'-P energy: -122.267
bonds (distance) P-C4' energy: -128.251
flat angles C4'-P-C4' energy: -146.534
flat angles P-C4'-P energy: -109.507
tors. eta vs tors. theta energy: -178.821
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: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2206.234975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.234975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.234975 (E_RNA)
where:
Base-Base interactions energy: -1553.023
where: short stacking energy: -626.709
Base-Backbone interact. energy: -6.844
local terms energy: -646.367531
where:
bonds (distance) C4'-P energy: -124.007
bonds (distance) P-C4' energy: -125.640
flat angles C4'-P-C4' energy: -138.220
flat angles P-C4'-P energy: -81.839
tors. eta vs tors. theta energy: -176.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2201.326290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.326290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.326290 (E_RNA)
where:
Base-Base interactions energy: -1528.180
where: short stacking energy: -612.113
Base-Backbone interact. energy: -3.241
local terms energy: -669.905248
where:
bonds (distance) C4'-P energy: -122.869
bonds (distance) P-C4' energy: -126.243
flat angles C4'-P-C4' energy: -141.692
flat angles P-C4'-P energy: -95.385
tors. eta vs tors. theta energy: -183.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2085.009432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.009432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.009432 (E_RNA)
where:
Base-Base interactions energy: -1429.618
where: short stacking energy: -629.537
Base-Backbone interact. energy: 0.429
local terms energy: -655.820956
where:
bonds (distance) C4'-P energy: -108.687
bonds (distance) P-C4' energy: -120.959
flat angles C4'-P-C4' energy: -142.570
flat angles P-C4'-P energy: -101.193
tors. eta vs tors. theta energy: -182.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1986.580860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.580860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.580860 (E_RNA)
where:
Base-Base interactions energy: -1340.926
where: short stacking energy: -576.530
Base-Backbone interact. energy: 3.974
local terms energy: -649.628763
where:
bonds (distance) C4'-P energy: -119.468
bonds (distance) P-C4' energy: -121.206
flat angles C4'-P-C4' energy: -139.920
flat angles P-C4'-P energy: -93.627
tors. eta vs tors. theta energy: -175.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1745.800717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.800717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.800717 (E_RNA)
where:
Base-Base interactions energy: -1169.828
where: short stacking energy: -515.414
Base-Backbone interact. energy: -1.380
local terms energy: -574.593006
where:
bonds (distance) C4'-P energy: -111.717
bonds (distance) P-C4' energy: -117.942
flat angles C4'-P-C4' energy: -129.709
flat angles P-C4'-P energy: -78.494
tors. eta vs tors. theta energy: -136.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1492.418197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.418197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.418197 (E_RNA)
where:
Base-Base interactions energy: -989.048
where: short stacking energy: -420.042
Base-Backbone interact. energy: -0.904
local terms energy: -502.466541
where:
bonds (distance) C4'-P energy: -97.134
bonds (distance) P-C4' energy: -118.328
flat angles C4'-P-C4' energy: -115.486
flat angles P-C4'-P energy: -73.743
tors. eta vs tors. theta energy: -97.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1144.838431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.838431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.838431 (E_RNA)
where:
Base-Base interactions energy: -697.915
where: short stacking energy: -316.112
Base-Backbone interact. energy: -1.142
local terms energy: -445.780894
where:
bonds (distance) C4'-P energy: -92.431
bonds (distance) P-C4' energy: -122.157
flat angles C4'-P-C4' energy: -103.363
flat angles P-C4'-P energy: -66.648
tors. eta vs tors. theta energy: -61.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -895.768334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.768334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.768334 (E_RNA)
where:
Base-Base interactions energy: -490.629
where: short stacking energy: -278.629
Base-Backbone interact. energy: 0.935
local terms energy: -406.074131
where:
bonds (distance) C4'-P energy: -112.868
bonds (distance) P-C4' energy: -104.262
flat angles C4'-P-C4' energy: -109.318
flat angles P-C4'-P energy: -49.418
tors. eta vs tors. theta energy: -30.209
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: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -743.495719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.495719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.495719 (E_RNA)
where:
Base-Base interactions energy: -377.625
where: short stacking energy: -226.382
Base-Backbone interact. energy: -1.042
local terms energy: -364.828871
where:
bonds (distance) C4'-P energy: -111.771
bonds (distance) P-C4' energy: -90.075
flat angles C4'-P-C4' energy: -99.540
flat angles P-C4'-P energy: -57.718
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2322.309532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.309532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.309532 (E_RNA)
where:
Base-Base interactions energy: -1606.478
where: short stacking energy: -661.961
Base-Backbone interact. energy: -2.902
local terms energy: -712.929649
where:
bonds (distance) C4'-P energy: -131.828
bonds (distance) P-C4' energy: -128.046
flat angles C4'-P-C4' energy: -150.323
flat angles P-C4'-P energy: -108.633
tors. eta vs tors. theta energy: -194.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2213.349693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.349693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.349693 (E_RNA)
where:
Base-Base interactions energy: -1531.468
where: short stacking energy: -610.050
Base-Backbone interact. energy: -1.995
local terms energy: -679.886979
where:
bonds (distance) C4'-P energy: -117.802
bonds (distance) P-C4' energy: -138.609
flat angles C4'-P-C4' energy: -142.417
flat angles P-C4'-P energy: -109.419
tors. eta vs tors. theta energy: -171.640
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2182.167670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.167670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.167670 (E_RNA)
where:
Base-Base interactions energy: -1505.478
where: short stacking energy: -671.191
Base-Backbone interact. energy: -1.350
local terms energy: -675.339399
where:
bonds (distance) C4'-P energy: -121.323
bonds (distance) P-C4' energy: -131.398
flat angles C4'-P-C4' energy: -152.627
flat angles P-C4'-P energy: -91.134
tors. eta vs tors. theta energy: -178.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2064.281546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.281546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.281546 (E_RNA)
where:
Base-Base interactions energy: -1417.340
where: short stacking energy: -581.710
Base-Backbone interact. energy: -1.840
local terms energy: -645.101223
where:
bonds (distance) C4'-P energy: -114.687
bonds (distance) P-C4' energy: -117.553
flat angles C4'-P-C4' energy: -143.771
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -178.361
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: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1992.367451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.367451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.367451 (E_RNA)
where:
Base-Base interactions energy: -1337.903
where: short stacking energy: -592.355
Base-Backbone interact. energy: -1.110
local terms energy: -653.354516
where:
bonds (distance) C4'-P energy: -126.467
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -137.663
flat angles P-C4'-P energy: -92.668
tors. eta vs tors. theta energy: -168.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1747.588025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.588025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.588025 (E_RNA)
where:
Base-Base interactions energy: -1184.271
where: short stacking energy: -526.397
Base-Backbone interact. energy: 0.461
local terms energy: -563.777855
where:
bonds (distance) C4'-P energy: -99.410
bonds (distance) P-C4' energy: -125.639
flat angles C4'-P-C4' energy: -130.361
flat angles P-C4'-P energy: -82.785
tors. eta vs tors. theta energy: -125.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1510.733873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.733873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.733873 (E_RNA)
where:
Base-Base interactions energy: -993.237
where: short stacking energy: -420.766
Base-Backbone interact. energy: -2.612
local terms energy: -514.884836
where:
bonds (distance) C4'-P energy: -103.758
bonds (distance) P-C4' energy: -121.599
flat angles C4'-P-C4' energy: -116.369
flat angles P-C4'-P energy: -73.361
tors. eta vs tors. theta energy: -99.798
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: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1142.880117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.880117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.880117 (E_RNA)
where:
Base-Base interactions energy: -718.169
where: short stacking energy: -352.415
Base-Backbone interact. energy: -1.023
local terms energy: -423.687791
where:
bonds (distance) C4'-P energy: -80.391
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -104.725
flat angles P-C4'-P energy: -66.768
tors. eta vs tors. theta energy: -54.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -857.694767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.694767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.694767 (E_RNA)
where:
Base-Base interactions energy: -463.953
where: short stacking energy: -267.984
Base-Backbone interact. energy: 5.267
local terms energy: -399.008514
where:
bonds (distance) C4'-P energy: -115.301
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -97.604
flat angles P-C4'-P energy: -44.175
tors. eta vs tors. theta energy: -32.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -761.976011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.976011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.976011 (E_RNA)
where:
Base-Base interactions energy: -413.635
where: short stacking energy: -239.045
Base-Backbone interact. energy: 0.961
local terms energy: -349.301805
where:
bonds (distance) C4'-P energy: -95.800
bonds (distance) P-C4' energy: -93.356
flat angles C4'-P-C4' energy: -96.336
flat angles P-C4'-P energy: -51.634
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2325.333251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.333251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.333251 (E_RNA)
where:
Base-Base interactions energy: -1629.252
where: short stacking energy: -687.517
Base-Backbone interact. energy: -2.510
local terms energy: -693.571112
where:
bonds (distance) C4'-P energy: -127.178
bonds (distance) P-C4' energy: -129.035
flat angles C4'-P-C4' energy: -145.530
flat angles P-C4'-P energy: -99.428
tors. eta vs tors. theta energy: -192.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2193.829872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.829872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.829872 (E_RNA)
where:
Base-Base interactions energy: -1516.486
where: short stacking energy: -627.746
Base-Backbone interact. energy: -4.310
local terms energy: -673.034089
where:
bonds (distance) C4'-P energy: -132.236
bonds (distance) P-C4' energy: -127.292
flat angles C4'-P-C4' energy: -145.474
flat angles P-C4'-P energy: -89.251
tors. eta vs tors. theta energy: -178.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2194.874041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.874041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.874041 (E_RNA)
where:
Base-Base interactions energy: -1514.578
where: short stacking energy: -645.781
Base-Backbone interact. energy: 5.191
local terms energy: -685.486320
where:
bonds (distance) C4'-P energy: -117.518
bonds (distance) P-C4' energy: -137.193
flat angles C4'-P-C4' energy: -148.833
flat angles P-C4'-P energy: -93.553
tors. eta vs tors. theta energy: -188.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2064.361357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.361357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.361357 (E_RNA)
where:
Base-Base interactions energy: -1416.552
where: short stacking energy: -588.187
Base-Backbone interact. energy: -2.516
local terms energy: -645.293036
where:
bonds (distance) C4'-P energy: -131.274
bonds (distance) P-C4' energy: -118.930
flat angles C4'-P-C4' energy: -140.321
flat angles P-C4'-P energy: -83.250
tors. eta vs tors. theta energy: -171.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1957.278734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.278734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.278734 (E_RNA)
where:
Base-Base interactions energy: -1355.629
where: short stacking energy: -589.782
Base-Backbone interact. energy: -0.813
local terms energy: -600.835884
where:
bonds (distance) C4'-P energy: -108.991
bonds (distance) P-C4' energy: -120.019
flat angles C4'-P-C4' energy: -127.228
flat angles P-C4'-P energy: -80.124
tors. eta vs tors. theta energy: -164.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1734.988288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.988288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.988288 (E_RNA)
where:
Base-Base interactions energy: -1157.387
where: short stacking energy: -507.571
Base-Backbone interact. energy: -1.241
local terms energy: -576.360251
where:
bonds (distance) C4'-P energy: -127.653
bonds (distance) P-C4' energy: -121.490
flat angles C4'-P-C4' energy: -116.307
flat angles P-C4'-P energy: -79.330
tors. eta vs tors. theta energy: -131.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1540.061071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.061071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.061071 (E_RNA)
where:
Base-Base interactions energy: -1022.173
where: short stacking energy: -445.440
Base-Backbone interact. energy: 4.021
local terms energy: -521.909024
where:
bonds (distance) C4'-P energy: -107.101
bonds (distance) P-C4' energy: -126.043
flat angles C4'-P-C4' energy: -106.672
flat angles P-C4'-P energy: -75.578
tors. eta vs tors. theta energy: -106.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1182.212287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.212287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.212287 (E_RNA)
where:
Base-Base interactions energy: -729.290
where: short stacking energy: -363.372
Base-Backbone interact. energy: 9.141
local terms energy: -462.063401
where:
bonds (distance) C4'-P energy: -109.769
bonds (distance) P-C4' energy: -117.909
flat angles C4'-P-C4' energy: -93.421
flat angles P-C4'-P energy: -64.951
tors. eta vs tors. theta energy: -76.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -834.824002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.824002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.824002 (E_RNA)
where:
Base-Base interactions energy: -424.103
where: short stacking energy: -261.998
Base-Backbone interact. energy: -5.907
local terms energy: -404.813287
where:
bonds (distance) C4'-P energy: -120.619
bonds (distance) P-C4' energy: -105.259
flat angles C4'-P-C4' energy: -107.268
flat angles P-C4'-P energy: -45.362
tors. eta vs tors. theta energy: -26.305
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: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -813.097018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.097018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.097018 (E_RNA)
where:
Base-Base interactions energy: -434.659
where: short stacking energy: -264.771
Base-Backbone interact. energy: 4.136
local terms energy: -382.573307
where:
bonds (distance) C4'-P energy: -111.206
bonds (distance) P-C4' energy: -94.061
flat angles C4'-P-C4' energy: -106.851
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -19.445
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: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2304.566709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.566709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.566709 (E_RNA)
where:
Base-Base interactions energy: -1635.515
where: short stacking energy: -648.222
Base-Backbone interact. energy: -4.261
local terms energy: -664.791334
where:
bonds (distance) C4'-P energy: -129.458
bonds (distance) P-C4' energy: -128.975
flat angles C4'-P-C4' energy: -141.316
flat angles P-C4'-P energy: -84.675
tors. eta vs tors. theta energy: -180.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2160.787597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.787597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.787597 (E_RNA)
where:
Base-Base interactions energy: -1484.141
where: short stacking energy: -626.618
Base-Backbone interact. energy: -1.703
local terms energy: -674.942968
where:
bonds (distance) C4'-P energy: -132.665
bonds (distance) P-C4' energy: -132.280
flat angles C4'-P-C4' energy: -150.668
flat angles P-C4'-P energy: -91.245
tors. eta vs tors. theta energy: -168.084
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: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2192.974603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.974603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.974603 (E_RNA)
where:
Base-Base interactions energy: -1478.484
where: short stacking energy: -630.551
Base-Backbone interact. energy: -5.282
local terms energy: -709.208635
where:
bonds (distance) C4'-P energy: -126.742
bonds (distance) P-C4' energy: -140.392
flat angles C4'-P-C4' energy: -151.389
flat angles P-C4'-P energy: -101.027
tors. eta vs tors. theta energy: -189.657
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2073.441902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.441902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.441902 (E_RNA)
where:
Base-Base interactions energy: -1409.900
where: short stacking energy: -623.072
Base-Backbone interact. energy: -1.150
local terms energy: -662.392017
where:
bonds (distance) C4'-P energy: -130.963
bonds (distance) P-C4' energy: -111.778
flat angles C4'-P-C4' energy: -159.424
flat angles P-C4'-P energy: -81.407
tors. eta vs tors. theta energy: -178.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1959.233404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.233404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.233404 (E_RNA)
where:
Base-Base interactions energy: -1310.470
where: short stacking energy: -573.625
Base-Backbone interact. energy: -0.189
local terms energy: -648.574609
where:
bonds (distance) C4'-P energy: -127.743
bonds (distance) P-C4' energy: -119.945
flat angles C4'-P-C4' energy: -132.184
flat angles P-C4'-P energy: -92.960
tors. eta vs tors. theta energy: -175.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1759.121214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.121214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.121214 (E_RNA)
where:
Base-Base interactions energy: -1208.570
where: short stacking energy: -526.475
Base-Backbone interact. energy: 2.400
local terms energy: -552.951394
where:
bonds (distance) C4'-P energy: -111.170
bonds (distance) P-C4' energy: -116.691
flat angles C4'-P-C4' energy: -133.618
flat angles P-C4'-P energy: -60.280
tors. eta vs tors. theta energy: -131.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1503.988916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.988916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.988916 (E_RNA)
where:
Base-Base interactions energy: -1000.270
where: short stacking energy: -443.750
Base-Backbone interact. energy: -0.122
local terms energy: -503.596263
where:
bonds (distance) C4'-P energy: -122.344
bonds (distance) P-C4' energy: -93.434
flat angles C4'-P-C4' energy: -106.920
flat angles P-C4'-P energy: -77.699
tors. eta vs tors. theta energy: -103.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1204.084599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.084599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.084599 (E_RNA)
where:
Base-Base interactions energy: -752.230
where: short stacking energy: -365.794
Base-Backbone interact. energy: -0.773
local terms energy: -451.080927
where:
bonds (distance) C4'-P energy: -101.460
bonds (distance) P-C4' energy: -117.452
flat angles C4'-P-C4' energy: -122.072
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: -52.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -785.126999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.126999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.126999 (E_RNA)
where:
Base-Base interactions energy: -403.028
where: short stacking energy: -218.214
Base-Backbone interact. energy: 0.106
local terms energy: -382.204639
where:
bonds (distance) C4'-P energy: -109.918
bonds (distance) P-C4' energy: -127.203
flat angles C4'-P-C4' energy: -84.302
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -9.394
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: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -789.923290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.923290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.923290 (E_RNA)
where:
Base-Base interactions energy: -408.638
where: short stacking energy: -243.832
Base-Backbone interact. energy: -1.186
local terms energy: -380.099287
where:
bonds (distance) C4'-P energy: -107.857
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -91.718
flat angles P-C4'-P energy: -64.457
tors. eta vs tors. theta energy: -14.779
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2307.306470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.306470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.306470 (E_RNA)
where:
Base-Base interactions energy: -1600.878
where: short stacking energy: -647.200
Base-Backbone interact. energy: -6.932
local terms energy: -699.496765
where:
bonds (distance) C4'-P energy: -130.107
bonds (distance) P-C4' energy: -135.035
flat angles C4'-P-C4' energy: -139.721
flat angles P-C4'-P energy: -105.274
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: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2234.468619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.468619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.468619 (E_RNA)
where:
Base-Base interactions energy: -1521.172
where: short stacking energy: -666.056
Base-Backbone interact. energy: -0.652
local terms energy: -712.644240
where:
bonds (distance) C4'-P energy: -129.636
bonds (distance) P-C4' energy: -144.187
flat angles C4'-P-C4' energy: -155.127
flat angles P-C4'-P energy: -93.063
tors. eta vs tors. theta energy: -190.633
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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2099.538308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.538308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.538308 (E_RNA)
where:
Base-Base interactions energy: -1459.018
where: short stacking energy: -596.177
Base-Backbone interact. energy: -2.289
local terms energy: -638.231500
where:
bonds (distance) C4'-P energy: -121.817
bonds (distance) P-C4' energy: -127.117
flat angles C4'-P-C4' energy: -136.587
flat angles P-C4'-P energy: -84.986
tors. eta vs tors. theta energy: -167.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2122.484628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.484628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.484628 (E_RNA)
where:
Base-Base interactions energy: -1453.138
where: short stacking energy: -655.666
Base-Backbone interact. energy: -0.551
local terms energy: -668.795957
where:
bonds (distance) C4'-P energy: -118.839
bonds (distance) P-C4' energy: -130.416
flat angles C4'-P-C4' energy: -127.051
flat angles P-C4'-P energy: -100.795
tors. eta vs tors. theta energy: -191.696
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1975.862520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.862520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.862520 (E_RNA)
where:
Base-Base interactions energy: -1351.765
where: short stacking energy: -580.761
Base-Backbone interact. energy: -0.753
local terms energy: -623.344574
where:
bonds (distance) C4'-P energy: -111.877
bonds (distance) P-C4' energy: -122.791
flat angles C4'-P-C4' energy: -136.930
flat angles P-C4'-P energy: -79.564
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1772.877108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.877108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.877108 (E_RNA)
where:
Base-Base interactions energy: -1199.755
where: short stacking energy: -520.001
Base-Backbone interact. energy: 2.624
local terms energy: -575.745800
where:
bonds (distance) C4'-P energy: -112.560
bonds (distance) P-C4' energy: -108.340
flat angles C4'-P-C4' energy: -128.437
flat angles P-C4'-P energy: -80.151
tors. eta vs tors. theta energy: -146.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1523.863770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.863770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.863770 (E_RNA)
where:
Base-Base interactions energy: -1012.336
where: short stacking energy: -439.210
Base-Backbone interact. energy: -0.995
local terms energy: -510.532469
where:
bonds (distance) C4'-P energy: -114.377
bonds (distance) P-C4' energy: -118.429
flat angles C4'-P-C4' energy: -118.466
flat angles P-C4'-P energy: -70.869
tors. eta vs tors. theta energy: -88.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1194.285326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.285326 (E_RNA)
where:
Base-Base interactions energy: -772.101
where: short stacking energy: -343.799
Base-Backbone interact. energy: 3.951
local terms energy: -426.135595
where:
bonds (distance) C4'-P energy: -108.187
bonds (distance) P-C4' energy: -103.678
flat angles C4'-P-C4' energy: -97.137
flat angles P-C4'-P energy: -74.361
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -762.665519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.665519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.665519 (E_RNA)
where:
Base-Base interactions energy: -361.586
where: short stacking energy: -197.537
Base-Backbone interact. energy: -3.747
local terms energy: -397.332635
where:
bonds (distance) C4'-P energy: -120.258
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -86.674
flat angles P-C4'-P energy: -76.481
tors. eta vs tors. theta energy: 5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -812.703101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.703101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.703101 (E_RNA)
where:
Base-Base interactions energy: -432.039
where: short stacking energy: -230.199
Base-Backbone interact. energy: 0.267
local terms energy: -380.930490
where:
bonds (distance) C4'-P energy: -96.626
bonds (distance) P-C4' energy: -114.055
flat angles C4'-P-C4' energy: -109.599
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2339.005774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.005774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.005774 (E_RNA)
where:
Base-Base interactions energy: -1624.931
where: short stacking energy: -672.503
Base-Backbone interact. energy: -4.642
local terms energy: -709.433173
where:
bonds (distance) C4'-P energy: -121.842
bonds (distance) P-C4' energy: -146.881
flat angles C4'-P-C4' energy: -143.926
flat angles P-C4'-P energy: -103.915
tors. eta vs tors. theta energy: -192.869
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2240.658435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.658435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.658435 (E_RNA)
where:
Base-Base interactions energy: -1540.751
where: short stacking energy: -678.631
Base-Backbone interact. energy: -4.267
local terms energy: -695.640207
where:
bonds (distance) C4'-P energy: -133.684
bonds (distance) P-C4' energy: -127.438
flat angles C4'-P-C4' energy: -148.296
flat angles P-C4'-P energy: -95.564
tors. eta vs tors. theta energy: -190.658
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: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2126.144922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.144922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.144922 (E_RNA)
where:
Base-Base interactions energy: -1449.711
where: short stacking energy: -607.986
Base-Backbone interact. energy: -2.052
local terms energy: -674.382232
where:
bonds (distance) C4'-P energy: -125.274
bonds (distance) P-C4' energy: -137.043
flat angles C4'-P-C4' energy: -145.984
flat angles P-C4'-P energy: -96.120
tors. eta vs tors. theta energy: -169.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2054.188523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.188523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.188523 (E_RNA)
where:
Base-Base interactions energy: -1412.873
where: short stacking energy: -616.541
Base-Backbone interact. energy: -0.215
local terms energy: -641.100898
where:
bonds (distance) C4'-P energy: -113.587
bonds (distance) P-C4' energy: -116.731
flat angles C4'-P-C4' energy: -135.852
flat angles P-C4'-P energy: -88.088
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: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1965.507369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.507369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.507369 (E_RNA)
where:
Base-Base interactions energy: -1333.635
where: short stacking energy: -587.451
Base-Backbone interact. energy: -3.644
local terms energy: -628.228601
where:
bonds (distance) C4'-P energy: -111.740
bonds (distance) P-C4' energy: -134.129
flat angles C4'-P-C4' energy: -127.544
flat angles P-C4'-P energy: -81.942
tors. eta vs tors. theta energy: -172.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1745.254211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.254211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.254211 (E_RNA)
where:
Base-Base interactions energy: -1181.228
where: short stacking energy: -520.597
Base-Backbone interact. energy: -2.206
local terms energy: -561.820145
where:
bonds (distance) C4'-P energy: -114.029
bonds (distance) P-C4' energy: -110.399
flat angles C4'-P-C4' energy: -129.974
flat angles P-C4'-P energy: -79.787
tors. eta vs tors. theta energy: -127.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1553.593203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.593203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.593203 (E_RNA)
where:
Base-Base interactions energy: -1013.523
where: short stacking energy: -438.814
Base-Backbone interact. energy: -1.504
local terms energy: -538.566325
where:
bonds (distance) C4'-P energy: -109.842
bonds (distance) P-C4' energy: -112.132
flat angles C4'-P-C4' energy: -124.923
flat angles P-C4'-P energy: -86.836
tors. eta vs tors. theta energy: -104.834
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1162.396659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.396659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.396659 (E_RNA)
where:
Base-Base interactions energy: -717.355
where: short stacking energy: -329.703
Base-Backbone interact. energy: -0.968
local terms energy: -444.073710
where:
bonds (distance) C4'-P energy: -83.840
bonds (distance) P-C4' energy: -132.966
flat angles C4'-P-C4' energy: -106.174
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -50.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -815.705814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.705814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.705814 (E_RNA)
where:
Base-Base interactions energy: -437.016
where: short stacking energy: -274.549
Base-Backbone interact. energy: -1.460
local terms energy: -377.229501
where:
bonds (distance) C4'-P energy: -95.721
bonds (distance) P-C4' energy: -109.305
flat angles C4'-P-C4' energy: -85.997
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -31.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -754.694233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.694233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.694233 (E_RNA)
where:
Base-Base interactions energy: -390.597
where: short stacking energy: -218.832
Base-Backbone interact. energy: -0.558
local terms energy: -363.539293
where:
bonds (distance) C4'-P energy: -97.272
bonds (distance) P-C4' energy: -101.020
flat angles C4'-P-C4' energy: -89.136
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -10.264
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: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2313.660201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.660201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.660201 (E_RNA)
where:
Base-Base interactions energy: -1623.546
where: short stacking energy: -655.628
Base-Backbone interact. energy: -4.921
local terms energy: -685.193610
where:
bonds (distance) C4'-P energy: -124.865
bonds (distance) P-C4' energy: -130.707
flat angles C4'-P-C4' energy: -139.259
flat angles P-C4'-P energy: -108.783
tors. eta vs tors. theta energy: -181.579
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: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2236.977649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.977649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.977649 (E_RNA)
where:
Base-Base interactions energy: -1555.849
where: short stacking energy: -682.240
Base-Backbone interact. energy: -3.078
local terms energy: -678.051116
where:
bonds (distance) C4'-P energy: -128.616
bonds (distance) P-C4' energy: -120.797
flat angles C4'-P-C4' energy: -145.669
flat angles P-C4'-P energy: -86.543
tors. eta vs tors. theta energy: -196.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2119.531564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.531564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.531564 (E_RNA)
where:
Base-Base interactions energy: -1445.281
where: short stacking energy: -611.510
Base-Backbone interact. energy: -2.532
local terms energy: -671.719154
where:
bonds (distance) C4'-P energy: -124.159
bonds (distance) P-C4' energy: -131.988
flat angles C4'-P-C4' energy: -148.015
flat angles P-C4'-P energy: -87.002
tors. eta vs tors. theta energy: -180.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2062.087378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.087378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.087378 (E_RNA)
where:
Base-Base interactions energy: -1415.255
where: short stacking energy: -611.704
Base-Backbone interact. energy: 5.070
local terms energy: -651.902561
where:
bonds (distance) C4'-P energy: -111.295
bonds (distance) P-C4' energy: -129.020
flat angles C4'-P-C4' energy: -136.833
flat angles P-C4'-P energy: -98.649
tors. eta vs tors. theta energy: -176.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1913.179582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.179582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.179582 (E_RNA)
where:
Base-Base interactions energy: -1310.222
where: short stacking energy: -574.575
Base-Backbone interact. energy: -0.418
local terms energy: -602.539872
where:
bonds (distance) C4'-P energy: -103.520
bonds (distance) P-C4' energy: -117.474
flat angles C4'-P-C4' energy: -129.198
flat angles P-C4'-P energy: -91.231
tors. eta vs tors. theta energy: -161.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1744.312043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.312043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.312043 (E_RNA)
where:
Base-Base interactions energy: -1160.706
where: short stacking energy: -509.888
Base-Backbone interact. energy: -4.258
local terms energy: -579.347673
where:
bonds (distance) C4'-P energy: -115.459
bonds (distance) P-C4' energy: -113.680
flat angles C4'-P-C4' energy: -123.536
flat angles P-C4'-P energy: -94.044
tors. eta vs tors. theta energy: -132.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1535.082083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.082083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.082083 (E_RNA)
where:
Base-Base interactions energy: -1009.024
where: short stacking energy: -471.339
Base-Backbone interact. energy: -3.449
local terms energy: -522.608876
where:
bonds (distance) C4'-P energy: -117.020
bonds (distance) P-C4' energy: -105.642
flat angles C4'-P-C4' energy: -119.806
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -100.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1188.562453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.562453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.562453 (E_RNA)
where:
Base-Base interactions energy: -737.214
where: short stacking energy: -368.528
Base-Backbone interact. energy: 0.555
local terms energy: -451.903701
where:
bonds (distance) C4'-P energy: -106.577
bonds (distance) P-C4' energy: -115.514
flat angles C4'-P-C4' energy: -109.908
flat angles P-C4'-P energy: -64.364
tors. eta vs tors. theta energy: -55.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -813.712458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.712458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.712458 (E_RNA)
where:
Base-Base interactions energy: -406.799
where: short stacking energy: -225.070
Base-Backbone interact. energy: -1.750
local terms energy: -405.163200
where:
bonds (distance) C4'-P energy: -121.457
bonds (distance) P-C4' energy: -122.101
flat angles C4'-P-C4' energy: -85.453
flat angles P-C4'-P energy: -51.408
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -767.204953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.204953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.204953 (E_RNA)
where:
Base-Base interactions energy: -412.611
where: short stacking energy: -191.857
Base-Backbone interact. energy: -2.685
local terms energy: -351.908683
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -124.666
flat angles C4'-P-C4' energy: -85.967
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: 10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2301.586163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.586163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.586163 (E_RNA)
where:
Base-Base interactions energy: -1604.706
where: short stacking energy: -655.228
Base-Backbone interact. energy: -0.999
local terms energy: -695.881531
where:
bonds (distance) C4'-P energy: -132.377
bonds (distance) P-C4' energy: -131.526
flat angles C4'-P-C4' energy: -146.528
flat angles P-C4'-P energy: -103.499
tors. eta vs tors. theta energy: -181.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2220.480711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.480711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.480711 (E_RNA)
where:
Base-Base interactions energy: -1524.676
where: short stacking energy: -671.144
Base-Backbone interact. energy: -5.442
local terms energy: -690.362821
where:
bonds (distance) C4'-P energy: -131.556
bonds (distance) P-C4' energy: -122.956
flat angles C4'-P-C4' energy: -148.512
flat angles P-C4'-P energy: -96.982
tors. eta vs tors. theta energy: -190.357
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: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2153.003947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.003947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.003947 (E_RNA)
where:
Base-Base interactions energy: -1518.059
where: short stacking energy: -638.550
Base-Backbone interact. energy: -2.178
local terms energy: -632.766881
where:
bonds (distance) C4'-P energy: -120.320
bonds (distance) P-C4' energy: -103.834
flat angles C4'-P-C4' energy: -151.935
flat angles P-C4'-P energy: -92.954
tors. eta vs tors. theta energy: -163.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2045.796322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.796322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.796322 (E_RNA)
where:
Base-Base interactions energy: -1397.890
where: short stacking energy: -603.331
Base-Backbone interact. energy: -2.890
local terms energy: -645.016240
where:
bonds (distance) C4'-P energy: -111.531
bonds (distance) P-C4' energy: -128.226
flat angles C4'-P-C4' energy: -141.068
flat angles P-C4'-P energy: -80.379
tors. eta vs tors. theta energy: -183.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1915.712813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.712813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.712813 (E_RNA)
where:
Base-Base interactions energy: -1284.869
where: short stacking energy: -550.118
Base-Backbone interact. energy: -4.029
local terms energy: -626.814448
where:
bonds (distance) C4'-P energy: -120.352
bonds (distance) P-C4' energy: -121.690
flat angles C4'-P-C4' energy: -134.443
flat angles P-C4'-P energy: -89.125
tors. eta vs tors. theta energy: -161.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1743.786654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.786654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.786654 (E_RNA)
where:
Base-Base interactions energy: -1148.065
where: short stacking energy: -484.918
Base-Backbone interact. energy: 0.975
local terms energy: -596.696556
where:
bonds (distance) C4'-P energy: -117.502
bonds (distance) P-C4' energy: -134.437
flat angles C4'-P-C4' energy: -141.148
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -129.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1529.628202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.628202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.628202 (E_RNA)
where:
Base-Base interactions energy: -999.938
where: short stacking energy: -454.406
Base-Backbone interact. energy: -0.832
local terms energy: -528.858960
where:
bonds (distance) C4'-P energy: -105.649
bonds (distance) P-C4' energy: -114.345
flat angles C4'-P-C4' energy: -122.512
flat angles P-C4'-P energy: -86.429
tors. eta vs tors. theta energy: -99.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1139.646009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.646009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.646009 (E_RNA)
where:
Base-Base interactions energy: -702.244
where: short stacking energy: -341.084
Base-Backbone interact. energy: 1.863
local terms energy: -439.264629
where:
bonds (distance) C4'-P energy: -105.276
bonds (distance) P-C4' energy: -117.522
flat angles C4'-P-C4' energy: -112.678
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -47.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -842.215169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.215169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.215169 (E_RNA)
where:
Base-Base interactions energy: -439.948
where: short stacking energy: -252.389
Base-Backbone interact. energy: 4.070
local terms energy: -406.336388
where:
bonds (distance) C4'-P energy: -99.335
bonds (distance) P-C4' energy: -110.559
flat angles C4'-P-C4' energy: -109.466
flat angles P-C4'-P energy: -59.773
tors. eta vs tors. theta energy: -27.203
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: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -802.075403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.075403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.075403 (E_RNA)
where:
Base-Base interactions energy: -460.414
where: short stacking energy: -226.376
Base-Backbone interact. energy: 2.837
local terms energy: -344.498072
where:
bonds (distance) C4'-P energy: -94.268
bonds (distance) P-C4' energy: -109.345
flat angles C4'-P-C4' energy: -81.286
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -11.516
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: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2298.196852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.196852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.196852 (E_RNA)
where:
Base-Base interactions energy: -1590.501
where: short stacking energy: -640.058
Base-Backbone interact. energy: -4.093
local terms energy: -703.602411
where:
bonds (distance) C4'-P energy: -128.446
bonds (distance) P-C4' energy: -133.884
flat angles C4'-P-C4' energy: -148.592
flat angles P-C4'-P energy: -110.951
tors. eta vs tors. theta energy: -181.729
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2210.540022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.540022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.540022 (E_RNA)
where:
Base-Base interactions energy: -1529.544
where: short stacking energy: -654.181
Base-Backbone interact. energy: -4.022
local terms energy: -676.973390
where:
bonds (distance) C4'-P energy: -122.991
bonds (distance) P-C4' energy: -124.479
flat angles C4'-P-C4' energy: -139.275
flat angles P-C4'-P energy: -106.467
tors. eta vs tors. theta energy: -183.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2111.701504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.701504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.701504 (E_RNA)
where:
Base-Base interactions energy: -1474.371
where: short stacking energy: -606.488
Base-Backbone interact. energy: 0.307
local terms energy: -637.637057
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -118.784
flat angles C4'-P-C4' energy: -147.201
flat angles P-C4'-P energy: -90.802
tors. eta vs tors. theta energy: -163.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2071.465359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.465359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.465359 (E_RNA)
where:
Base-Base interactions energy: -1416.995
where: short stacking energy: -610.233
Base-Backbone interact. energy: -1.050
local terms energy: -653.420742
where:
bonds (distance) C4'-P energy: -116.904
bonds (distance) P-C4' energy: -123.018
flat angles C4'-P-C4' energy: -128.837
flat angles P-C4'-P energy: -101.824
tors. eta vs tors. theta energy: -182.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1900.193005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.193005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.193005 (E_RNA)
where:
Base-Base interactions energy: -1283.908
where: short stacking energy: -564.711
Base-Backbone interact. energy: -4.023
local terms energy: -612.262821
where:
bonds (distance) C4'-P energy: -126.036
bonds (distance) P-C4' energy: -117.655
flat angles C4'-P-C4' energy: -129.128
flat angles P-C4'-P energy: -84.161
tors. eta vs tors. theta energy: -155.283
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: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1735.147303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.147303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.147303 (E_RNA)
where:
Base-Base interactions energy: -1176.722
where: short stacking energy: -496.795
Base-Backbone interact. energy: -1.784
local terms energy: -556.641552
where:
bonds (distance) C4'-P energy: -108.979
bonds (distance) P-C4' energy: -119.766
flat angles C4'-P-C4' energy: -132.653
flat angles P-C4'-P energy: -70.590
tors. eta vs tors. theta energy: -124.654
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: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1578.146542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.146542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.146542 (E_RNA)
where:
Base-Base interactions energy: -1053.595
where: short stacking energy: -475.418
Base-Backbone interact. energy: 0.974
local terms energy: -525.525567
where:
bonds (distance) C4'-P energy: -102.930
bonds (distance) P-C4' energy: -108.331
flat angles C4'-P-C4' energy: -124.117
flat angles P-C4'-P energy: -74.502
tors. eta vs tors. theta energy: -115.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1145.718360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.718360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.718360 (E_RNA)
where:
Base-Base interactions energy: -678.101
where: short stacking energy: -335.507
Base-Backbone interact. energy: 1.228
local terms energy: -468.844782
where:
bonds (distance) C4'-P energy: -116.229
bonds (distance) P-C4' energy: -113.468
flat angles C4'-P-C4' energy: -118.022
flat angles P-C4'-P energy: -66.074
tors. eta vs tors. theta energy: -55.052
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: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -864.105750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.105750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.105750 (E_RNA)
where:
Base-Base interactions energy: -474.611
where: short stacking energy: -263.256
Base-Backbone interact. energy: 7.269
local terms energy: -396.763247
where:
bonds (distance) C4'-P energy: -111.122
bonds (distance) P-C4' energy: -129.717
flat angles C4'-P-C4' energy: -92.534
flat angles P-C4'-P energy: -55.344
tors. eta vs tors. theta energy: -8.046
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: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -835.115290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.115290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.115290 (E_RNA)
where:
Base-Base interactions energy: -439.322
where: short stacking energy: -259.663
Base-Backbone interact. energy: -1.798
local terms energy: -393.995587
where:
bonds (distance) C4'-P energy: -96.524
bonds (distance) P-C4' energy: -109.147
flat angles C4'-P-C4' energy: -91.749
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -43.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2317.166567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.166567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.166567 (E_RNA)
where:
Base-Base interactions energy: -1616.292
where: short stacking energy: -637.195
Base-Backbone interact. energy: -4.456
local terms energy: -696.418032
where:
bonds (distance) C4'-P energy: -133.870
bonds (distance) P-C4' energy: -139.765
flat angles C4'-P-C4' energy: -146.683
flat angles P-C4'-P energy: -99.676
tors. eta vs tors. theta energy: -176.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2231.968770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.968770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.968770 (E_RNA)
where:
Base-Base interactions energy: -1534.798
where: short stacking energy: -694.378
Base-Backbone interact. energy: 3.939
local terms energy: -701.110053
where:
bonds (distance) C4'-P energy: -132.389
bonds (distance) P-C4' energy: -127.420
flat angles C4'-P-C4' energy: -150.876
flat angles P-C4'-P energy: -98.548
tors. eta vs tors. theta energy: -191.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2112.145326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.145326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.145326 (E_RNA)
where:
Base-Base interactions energy: -1445.863
where: short stacking energy: -602.611
Base-Backbone interact. energy: 5.353
local terms energy: -671.635047
where:
bonds (distance) C4'-P energy: -125.050
bonds (distance) P-C4' energy: -133.895
flat angles C4'-P-C4' energy: -143.214
flat angles P-C4'-P energy: -95.825
tors. eta vs tors. theta energy: -173.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2073.755639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.755639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.755639 (E_RNA)
where:
Base-Base interactions energy: -1436.604
where: short stacking energy: -640.957
Base-Backbone interact. energy: -2.550
local terms energy: -634.601568
where:
bonds (distance) C4'-P energy: -111.322
bonds (distance) P-C4' energy: -111.035
flat angles C4'-P-C4' energy: -143.710
flat angles P-C4'-P energy: -88.045
tors. eta vs tors. theta energy: -180.490
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: 344
Temperature: 1.100000
Total energy: -1897.358636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.358636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.358636 (E_RNA)
where:
Base-Base interactions energy: -1249.405
where: short stacking energy: -534.401
Base-Backbone interact. energy: -1.656
local terms energy: -646.297868
where:
bonds (distance) C4'-P energy: -117.184
bonds (distance) P-C4' energy: -136.314
flat angles C4'-P-C4' energy: -132.733
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -165.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1772.493196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.493196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.493196 (E_RNA)
where:
Base-Base interactions energy: -1232.906
where: short stacking energy: -536.511
Base-Backbone interact. energy: -1.495
local terms energy: -538.091996
where:
bonds (distance) C4'-P energy: -119.545
bonds (distance) P-C4' energy: -107.252
flat angles C4'-P-C4' energy: -111.533
flat angles P-C4'-P energy: -74.330
tors. eta vs tors. theta energy: -125.432
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: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1594.328838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.328838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.328838 (E_RNA)
where:
Base-Base interactions energy: -1055.589
where: short stacking energy: -436.989
Base-Backbone interact. energy: 1.491
local terms energy: -540.230986
where:
bonds (distance) C4'-P energy: -103.906
bonds (distance) P-C4' energy: -125.210
flat angles C4'-P-C4' energy: -117.547
flat angles P-C4'-P energy: -86.119
tors. eta vs tors. theta energy: -107.450
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: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1227.507761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.507761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.507761 (E_RNA)
where:
Base-Base interactions energy: -764.918
where: short stacking energy: -327.839
Base-Backbone interact. energy: -0.249
local terms energy: -462.340130
where:
bonds (distance) C4'-P energy: -112.478
bonds (distance) P-C4' energy: -110.530
flat angles C4'-P-C4' energy: -123.837
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -55.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -877.197688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.197688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.197688 (E_RNA)
where:
Base-Base interactions energy: -475.081
where: short stacking energy: -274.291
Base-Backbone interact. energy: -1.541
local terms energy: -400.575636
where:
bonds (distance) C4'-P energy: -122.799
bonds (distance) P-C4' energy: -106.138
flat angles C4'-P-C4' energy: -84.820
flat angles P-C4'-P energy: -74.238
tors. eta vs tors. theta energy: -12.580
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: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -760.041679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.041679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.041679 (E_RNA)
where:
Base-Base interactions energy: -393.869
where: short stacking energy: -213.518
Base-Backbone interact. energy: 2.926
local terms energy: -369.099093
where:
bonds (distance) C4'-P energy: -107.977
bonds (distance) P-C4' energy: -121.332
flat angles C4'-P-C4' energy: -90.480
flat angles P-C4'-P energy: -48.913
tors. eta vs tors. theta energy: -0.397
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: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2326.701654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.701654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.701654 (E_RNA)
where:
Base-Base interactions energy: -1633.625
where: short stacking energy: -657.508
Base-Backbone interact. energy: -6.863
local terms energy: -686.214149
where:
bonds (distance) C4'-P energy: -126.872
bonds (distance) P-C4' energy: -147.770
flat angles C4'-P-C4' energy: -146.484
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -173.793
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: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2238.885938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.885938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.885938 (E_RNA)
where:
Base-Base interactions energy: -1547.643
where: short stacking energy: -666.438
Base-Backbone interact. energy: -3.578
local terms energy: -687.664916
where:
bonds (distance) C4'-P energy: -121.868
bonds (distance) P-C4' energy: -132.512
flat angles C4'-P-C4' energy: -146.694
flat angles P-C4'-P energy: -87.595
tors. eta vs tors. theta energy: -198.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2118.615680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.615680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.615680 (E_RNA)
where:
Base-Base interactions energy: -1468.319
where: short stacking energy: -621.321
Base-Backbone interact. energy: 2.671
local terms energy: -652.967615
where:
bonds (distance) C4'-P energy: -129.718
bonds (distance) P-C4' energy: -106.536
flat angles C4'-P-C4' energy: -147.757
flat angles P-C4'-P energy: -92.186
tors. eta vs tors. theta energy: -176.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2056.726017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.726017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.726017 (E_RNA)
where:
Base-Base interactions energy: -1401.379
where: short stacking energy: -589.440
Base-Backbone interact. energy: -0.041
local terms energy: -655.306372
where:
bonds (distance) C4'-P energy: -113.114
bonds (distance) P-C4' energy: -132.937
flat angles C4'-P-C4' energy: -135.957
flat angles P-C4'-P energy: -95.061
tors. eta vs tors. theta energy: -178.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1893.516687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.516687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.516687 (E_RNA)
where:
Base-Base interactions energy: -1293.263
where: short stacking energy: -552.118
Base-Backbone interact. energy: -1.422
local terms energy: -598.831364
where:
bonds (distance) C4'-P energy: -121.194
bonds (distance) P-C4' energy: -91.075
flat angles C4'-P-C4' energy: -140.968
flat angles P-C4'-P energy: -87.461
tors. eta vs tors. theta energy: -158.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1828.793717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.793717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.793717 (E_RNA)
where:
Base-Base interactions energy: -1253.337
where: short stacking energy: -510.078
Base-Backbone interact. energy: 0.509
local terms energy: -575.966060
where:
bonds (distance) C4'-P energy: -120.157
bonds (distance) P-C4' energy: -118.293
flat angles C4'-P-C4' energy: -115.202
flat angles P-C4'-P energy: -82.705
tors. eta vs tors. theta energy: -139.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1594.573952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.573952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.573952 (E_RNA)
where:
Base-Base interactions energy: -1072.551
where: short stacking energy: -452.603
Base-Backbone interact. energy: 2.525
local terms energy: -524.547901
where:
bonds (distance) C4'-P energy: -106.629
bonds (distance) P-C4' energy: -104.337
flat angles C4'-P-C4' energy: -129.381
flat angles P-C4'-P energy: -74.275
tors. eta vs tors. theta energy: -109.926
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: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1240.780373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.780373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.780373 (E_RNA)
where:
Base-Base interactions energy: -757.590
where: short stacking energy: -334.787
Base-Backbone interact. energy: -1.788
local terms energy: -481.402569
where:
bonds (distance) C4'-P energy: -121.514
bonds (distance) P-C4' energy: -111.232
flat angles C4'-P-C4' energy: -110.121
flat angles P-C4'-P energy: -80.564
tors. eta vs tors. theta energy: -57.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -808.711021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.711021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.711021 (E_RNA)
where:
Base-Base interactions energy: -425.909
where: short stacking energy: -243.954
Base-Backbone interact. energy: -0.391
local terms energy: -382.410487
where:
bonds (distance) C4'-P energy: -106.029
bonds (distance) P-C4' energy: -106.904
flat angles C4'-P-C4' energy: -88.524
flat angles P-C4'-P energy: -70.222
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -767.303765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.303765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.303765 (E_RNA)
where:
Base-Base interactions energy: -401.665
where: short stacking energy: -232.632
Base-Backbone interact. energy: 1.932
local terms energy: -367.570601
where:
bonds (distance) C4'-P energy: -93.358
bonds (distance) P-C4' energy: -97.995
flat angles C4'-P-C4' energy: -93.329
flat angles P-C4'-P energy: -55.733
tors. eta vs tors. theta energy: -27.155
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: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2307.970440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.970440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.970440 (E_RNA)
where:
Base-Base interactions energy: -1636.651
where: short stacking energy: -639.930
Base-Backbone interact. energy: -3.013
local terms energy: -668.305994
where:
bonds (distance) C4'-P energy: -118.467
bonds (distance) P-C4' energy: -132.021
flat angles C4'-P-C4' energy: -147.219
flat angles P-C4'-P energy: -90.323
tors. eta vs tors. theta energy: -180.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2240.951642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.951642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.951642 (E_RNA)
where:
Base-Base interactions energy: -1544.898
where: short stacking energy: -686.688
Base-Backbone interact. energy: -0.658
local terms energy: -695.395269
where:
bonds (distance) C4'-P energy: -112.646
bonds (distance) P-C4' energy: -135.859
flat angles C4'-P-C4' energy: -150.617
flat angles P-C4'-P energy: -95.255
tors. eta vs tors. theta energy: -201.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2086.136889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.136889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.136889 (E_RNA)
where:
Base-Base interactions energy: -1427.155
where: short stacking energy: -627.007
Base-Backbone interact. energy: 1.017
local terms energy: -659.998487
where:
bonds (distance) C4'-P energy: -109.800
bonds (distance) P-C4' energy: -130.628
flat angles C4'-P-C4' energy: -138.534
flat angles P-C4'-P energy: -98.724
tors. eta vs tors. theta energy: -182.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2097.444304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.444304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.444304 (E_RNA)
where:
Base-Base interactions energy: -1449.055
where: short stacking energy: -597.179
Base-Backbone interact. energy: -1.500
local terms energy: -646.888841
where:
bonds (distance) C4'-P energy: -117.577
bonds (distance) P-C4' energy: -119.267
flat angles C4'-P-C4' energy: -139.137
flat angles P-C4'-P energy: -99.548
tors. eta vs tors. theta energy: -171.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1870.064252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.064252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.064252 (E_RNA)
where:
Base-Base interactions energy: -1274.141
where: short stacking energy: -561.225
Base-Backbone interact. energy: -2.797
local terms energy: -593.125708
where:
bonds (distance) C4'-P energy: -100.115
bonds (distance) P-C4' energy: -111.600
flat angles C4'-P-C4' energy: -133.242
flat angles P-C4'-P energy: -84.065
tors. eta vs tors. theta energy: -164.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1755.026988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.026988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.026988 (E_RNA)
where:
Base-Base interactions energy: -1178.527
where: short stacking energy: -514.900
Base-Backbone interact. energy: -1.352
local terms energy: -575.147479
where:
bonds (distance) C4'-P energy: -108.765
bonds (distance) P-C4' energy: -135.339
flat angles C4'-P-C4' energy: -130.270
flat angles P-C4'-P energy: -75.278
tors. eta vs tors. theta energy: -125.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1561.028657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.028657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.028657 (E_RNA)
where:
Base-Base interactions energy: -1052.596
where: short stacking energy: -449.376
Base-Backbone interact. energy: -0.815
local terms energy: -507.617333
where:
bonds (distance) C4'-P energy: -112.854
bonds (distance) P-C4' energy: -108.507
flat angles C4'-P-C4' energy: -126.144
flat angles P-C4'-P energy: -61.081
tors. eta vs tors. theta energy: -99.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1138.905774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.905774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.905774 (E_RNA)
where:
Base-Base interactions energy: -707.840
where: short stacking energy: -341.727
Base-Backbone interact. energy: -2.467
local terms energy: -428.598072
where:
bonds (distance) C4'-P energy: -106.984
bonds (distance) P-C4' energy: -110.552
flat angles C4'-P-C4' energy: -108.859
flat angles P-C4'-P energy: -60.964
tors. eta vs tors. theta energy: -41.239
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: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -899.864416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.864416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.864416 (E_RNA)
where:
Base-Base interactions energy: -522.290
where: short stacking energy: -261.699
Base-Backbone interact. energy: 3.624
local terms energy: -381.197812
where:
bonds (distance) C4'-P energy: -98.366
bonds (distance) P-C4' energy: -90.984
flat angles C4'-P-C4' energy: -106.386
flat angles P-C4'-P energy: -68.782
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -782.989533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.989533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.989533 (E_RNA)
where:
Base-Base interactions energy: -402.963
where: short stacking energy: -228.244
Base-Backbone interact. energy: 6.397
local terms energy: -386.424041
where:
bonds (distance) C4'-P energy: -115.460
bonds (distance) P-C4' energy: -119.815
flat angles C4'-P-C4' energy: -86.957
flat angles P-C4'-P energy: -54.814
tors. eta vs tors. theta energy: -9.378
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: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2306.177549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.177549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.177549 (E_RNA)
where:
Base-Base interactions energy: -1616.339
where: short stacking energy: -634.985
Base-Backbone interact. energy: -0.898
local terms energy: -688.940618
where:
bonds (distance) C4'-P energy: -134.414
bonds (distance) P-C4' energy: -127.100
flat angles C4'-P-C4' energy: -145.534
flat angles P-C4'-P energy: -107.214
tors. eta vs tors. theta energy: -174.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2243.445525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.445525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.445525 (E_RNA)
where:
Base-Base interactions energy: -1541.327
where: short stacking energy: -676.325
Base-Backbone interact. energy: 0.520
local terms energy: -702.639161
where:
bonds (distance) C4'-P energy: -122.933
bonds (distance) P-C4' energy: -141.855
flat angles C4'-P-C4' energy: -155.151
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -193.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2089.312133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.312133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.312133 (E_RNA)
where:
Base-Base interactions energy: -1445.542
where: short stacking energy: -649.845
Base-Backbone interact. energy: -2.327
local terms energy: -641.443636
where:
bonds (distance) C4'-P energy: -118.167
bonds (distance) P-C4' energy: -130.091
flat angles C4'-P-C4' energy: -126.065
flat angles P-C4'-P energy: -88.354
tors. eta vs tors. theta energy: -178.766
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: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2049.190029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.190029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.190029 (E_RNA)
where:
Base-Base interactions energy: -1397.401
where: short stacking energy: -585.457
Base-Backbone interact. energy: -3.607
local terms energy: -648.182242
where:
bonds (distance) C4'-P energy: -116.626
bonds (distance) P-C4' energy: -126.399
flat angles C4'-P-C4' energy: -152.883
flat angles P-C4'-P energy: -88.556
tors. eta vs tors. theta energy: -163.718
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: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1890.527974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.527974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.527974 (E_RNA)
where:
Base-Base interactions energy: -1269.133
where: short stacking energy: -556.992
Base-Backbone interact. energy: -0.646
local terms energy: -620.748587
where:
bonds (distance) C4'-P energy: -113.630
bonds (distance) P-C4' energy: -128.770
flat angles C4'-P-C4' energy: -131.711
flat angles P-C4'-P energy: -98.987
tors. eta vs tors. theta energy: -147.650
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: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1766.885536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.885536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.885536 (E_RNA)
where:
Base-Base interactions energy: -1178.796
where: short stacking energy: -508.509
Base-Backbone interact. energy: 2.082
local terms energy: -590.171652
where:
bonds (distance) C4'-P energy: -101.552
bonds (distance) P-C4' energy: -127.605
flat angles C4'-P-C4' energy: -131.399
flat angles P-C4'-P energy: -87.972
tors. eta vs tors. theta energy: -141.643
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: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1620.013371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.013371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.013371 (E_RNA)
where:
Base-Base interactions energy: -1064.677
where: short stacking energy: -484.964
Base-Backbone interact. energy: -2.093
local terms energy: -553.242898
where:
bonds (distance) C4'-P energy: -111.120
bonds (distance) P-C4' energy: -129.443
flat angles C4'-P-C4' energy: -127.111
flat angles P-C4'-P energy: -77.570
tors. eta vs tors. theta energy: -108.000
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: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1138.547652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.547652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.547652 (E_RNA)
where:
Base-Base interactions energy: -687.885
where: short stacking energy: -322.070
Base-Backbone interact. energy: -0.161
local terms energy: -450.502163
where:
bonds (distance) C4'-P energy: -117.722
bonds (distance) P-C4' energy: -104.743
flat angles C4'-P-C4' energy: -112.501
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -53.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -888.665427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.665427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.665427 (E_RNA)
where:
Base-Base interactions energy: -502.591
where: short stacking energy: -251.850
Base-Backbone interact. energy: -3.181
local terms energy: -382.893380
where:
bonds (distance) C4'-P energy: -96.752
bonds (distance) P-C4' energy: -100.863
flat angles C4'-P-C4' energy: -97.452
flat angles P-C4'-P energy: -73.600
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -797.546083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.546083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.546083 (E_RNA)
where:
Base-Base interactions energy: -421.480
where: short stacking energy: -242.752
Base-Backbone interact. energy: -2.164
local terms energy: -373.901857
where:
bonds (distance) C4'-P energy: -93.938
bonds (distance) P-C4' energy: -110.520
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2320.892217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.892217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.892217 (E_RNA)
where:
Base-Base interactions energy: -1612.897
where: short stacking energy: -651.362
Base-Backbone interact. energy: -2.847
local terms energy: -705.148350
where:
bonds (distance) C4'-P energy: -133.456
bonds (distance) P-C4' energy: -126.339
flat angles C4'-P-C4' energy: -152.976
flat angles P-C4'-P energy: -109.741
tors. eta vs tors. theta energy: -182.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2247.381937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.381937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.381937 (E_RNA)
where:
Base-Base interactions energy: -1540.176
where: short stacking energy: -679.555
Base-Backbone interact. energy: -4.818
local terms energy: -702.388322
where:
bonds (distance) C4'-P energy: -136.492
bonds (distance) P-C4' energy: -128.164
flat angles C4'-P-C4' energy: -143.807
flat angles P-C4'-P energy: -104.974
tors. eta vs tors. theta energy: -188.951
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: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2087.552386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.552386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.552386 (E_RNA)
where:
Base-Base interactions energy: -1447.961
where: short stacking energy: -612.263
Base-Backbone interact. energy: 1.290
local terms energy: -640.881331
where:
bonds (distance) C4'-P energy: -120.138
bonds (distance) P-C4' energy: -118.941
flat angles C4'-P-C4' energy: -147.278
flat angles P-C4'-P energy: -83.667
tors. eta vs tors. theta energy: -170.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2053.888611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.888611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.888611 (E_RNA)
where:
Base-Base interactions energy: -1419.038
where: short stacking energy: -631.367
Base-Backbone interact. energy: -0.271
local terms energy: -634.579261
where:
bonds (distance) C4'-P energy: -106.597
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -133.018
flat angles P-C4'-P energy: -94.780
tors. eta vs tors. theta energy: -176.461
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: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1901.641138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.641138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.641138 (E_RNA)
where:
Base-Base interactions energy: -1287.927
where: short stacking energy: -549.174
Base-Backbone interact. energy: -2.926
local terms energy: -610.788823
where:
bonds (distance) C4'-P energy: -116.171
bonds (distance) P-C4' energy: -120.724
flat angles C4'-P-C4' energy: -137.734
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -159.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1758.845308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.845308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.845308 (E_RNA)
where:
Base-Base interactions energy: -1200.828
where: short stacking energy: -520.901
Base-Backbone interact. energy: -1.911
local terms energy: -556.106889
where:
bonds (distance) C4'-P energy: -118.655
bonds (distance) P-C4' energy: -100.090
flat angles C4'-P-C4' energy: -120.625
flat angles P-C4'-P energy: -82.753
tors. eta vs tors. theta energy: -133.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1647.446971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.446971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.446971 (E_RNA)
where:
Base-Base interactions energy: -1097.555
where: short stacking energy: -493.686
Base-Backbone interact. energy: -1.025
local terms energy: -548.867760
where:
bonds (distance) C4'-P energy: -104.256
bonds (distance) P-C4' energy: -112.410
flat angles C4'-P-C4' energy: -125.218
flat angles P-C4'-P energy: -73.268
tors. eta vs tors. theta energy: -133.716
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1261.514025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.514025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.514025 (E_RNA)
where:
Base-Base interactions energy: -777.100
where: short stacking energy: -364.501
Base-Backbone interact. energy: -0.054
local terms energy: -484.359843
where:
bonds (distance) C4'-P energy: -107.500
bonds (distance) P-C4' energy: -117.890
flat angles C4'-P-C4' energy: -96.907
flat angles P-C4'-P energy: -85.379
tors. eta vs tors. theta energy: -76.684
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: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -901.164562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.164562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.164562 (E_RNA)
where:
Base-Base interactions energy: -488.116
where: short stacking energy: -269.096
Base-Backbone interact. energy: 0.507
local terms energy: -413.555166
where:
bonds (distance) C4'-P energy: -101.567
bonds (distance) P-C4' energy: -109.081
flat angles C4'-P-C4' energy: -99.049
flat angles P-C4'-P energy: -66.857
tors. eta vs tors. theta energy: -37.000
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: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -792.728590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.728590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.728590 (E_RNA)
where:
Base-Base interactions energy: -411.845
where: short stacking energy: -201.143
Base-Backbone interact. energy: 2.005
local terms energy: -382.888936
where:
bonds (distance) C4'-P energy: -118.187
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -77.137
flat angles P-C4'-P energy: -67.283
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2328.210101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.210101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.210101 (E_RNA)
where:
Base-Base interactions energy: -1609.521
where: short stacking energy: -656.199
Base-Backbone interact. energy: -1.737
local terms energy: -716.952618
where:
bonds (distance) C4'-P energy: -142.228
bonds (distance) P-C4' energy: -144.495
flat angles C4'-P-C4' energy: -151.277
flat angles P-C4'-P energy: -96.171
tors. eta vs tors. theta energy: -182.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2207.332482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.332482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.332482 (E_RNA)
where:
Base-Base interactions energy: -1491.939
where: short stacking energy: -642.407
Base-Backbone interact. energy: -1.368
local terms energy: -714.025749
where:
bonds (distance) C4'-P energy: -136.858
bonds (distance) P-C4' energy: -125.313
flat angles C4'-P-C4' energy: -148.331
flat angles P-C4'-P energy: -113.711
tors. eta vs tors. theta energy: -189.813
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: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2129.410954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.410954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.410954 (E_RNA)
where:
Base-Base interactions energy: -1477.356
where: short stacking energy: -624.791
Base-Backbone interact. energy: -1.388
local terms energy: -650.667344
where:
bonds (distance) C4'-P energy: -109.779
bonds (distance) P-C4' energy: -132.346
flat angles C4'-P-C4' energy: -145.463
flat angles P-C4'-P energy: -92.320
tors. eta vs tors. theta energy: -170.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1991.076837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.076837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.076837 (E_RNA)
where:
Base-Base interactions energy: -1380.130
where: short stacking energy: -577.345
Base-Backbone interact. energy: -2.825
local terms energy: -608.121091
where:
bonds (distance) C4'-P energy: -113.433
bonds (distance) P-C4' energy: -128.401
flat angles C4'-P-C4' energy: -134.045
flat angles P-C4'-P energy: -75.279
tors. eta vs tors. theta energy: -156.963
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2061.236550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.236550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.236550 (E_RNA)
where:
Base-Base interactions energy: -1435.696
where: short stacking energy: -622.910
Base-Backbone interact. energy: -1.966
local terms energy: -623.575135
where:
bonds (distance) C4'-P energy: -116.653
bonds (distance) P-C4' energy: -116.340
flat angles C4'-P-C4' energy: -137.449
flat angles P-C4'-P energy: -65.872
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1751.182669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.182669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.182669 (E_RNA)
where:
Base-Base interactions energy: -1181.505
where: short stacking energy: -509.667
Base-Backbone interact. energy: 0.579
local terms energy: -570.256671
where:
bonds (distance) C4'-P energy: -111.402
bonds (distance) P-C4' energy: -115.536
flat angles C4'-P-C4' energy: -119.450
flat angles P-C4'-P energy: -92.483
tors. eta vs tors. theta energy: -131.386
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: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1611.650574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.650574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.650574 (E_RNA)
where:
Base-Base interactions energy: -1069.321
where: short stacking energy: -474.727
Base-Backbone interact. energy: 2.878
local terms energy: -545.207708
where:
bonds (distance) C4'-P energy: -118.683
bonds (distance) P-C4' energy: -107.233
flat angles C4'-P-C4' energy: -121.814
flat angles P-C4'-P energy: -73.308
tors. eta vs tors. theta energy: -124.170
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: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1215.795255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.795255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.795255 (E_RNA)
where:
Base-Base interactions energy: -754.186
where: short stacking energy: -348.024
Base-Backbone interact. energy: -0.674
local terms energy: -460.935899
where:
bonds (distance) C4'-P energy: -110.392
bonds (distance) P-C4' energy: -115.473
flat angles C4'-P-C4' energy: -94.981
flat angles P-C4'-P energy: -74.484
tors. eta vs tors. theta energy: -65.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -894.129106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.129106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.129106 (E_RNA)
where:
Base-Base interactions energy: -482.780
where: short stacking energy: -262.252
Base-Backbone interact. energy: 0.545
local terms energy: -411.894101
where:
bonds (distance) C4'-P energy: -103.389
bonds (distance) P-C4' energy: -123.334
flat angles C4'-P-C4' energy: -91.481
flat angles P-C4'-P energy: -62.026
tors. eta vs tors. theta energy: -31.664
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: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -772.205122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.205122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.205122 (E_RNA)
where:
Base-Base interactions energy: -409.994
where: short stacking energy: -229.785
Base-Backbone interact. energy: -3.792
local terms energy: -358.418570
where:
bonds (distance) C4'-P energy: -118.389
bonds (distance) P-C4' energy: -73.991
flat angles C4'-P-C4' energy: -103.050
flat angles P-C4'-P energy: -53.135
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2315.658450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.658450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.658450 (E_RNA)
where:
Base-Base interactions energy: -1611.037
where: short stacking energy: -658.933
Base-Backbone interact. energy: -7.429
local terms energy: -697.192839
where:
bonds (distance) C4'-P energy: -138.328
bonds (distance) P-C4' energy: -139.816
flat angles C4'-P-C4' energy: -144.483
flat angles P-C4'-P energy: -91.441
tors. eta vs tors. theta energy: -183.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2218.212455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.212455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.212455 (E_RNA)
where:
Base-Base interactions energy: -1527.729
where: short stacking energy: -656.649
Base-Backbone interact. energy: -0.363
local terms energy: -690.119625
where:
bonds (distance) C4'-P energy: -135.808
bonds (distance) P-C4' energy: -130.249
flat angles C4'-P-C4' energy: -141.974
flat angles P-C4'-P energy: -99.531
tors. eta vs tors. theta energy: -182.557
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: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2129.840650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.840650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.840650 (E_RNA)
where:
Base-Base interactions energy: -1481.687
where: short stacking energy: -611.507
Base-Backbone interact. energy: -5.600
local terms energy: -642.553605
where:
bonds (distance) C4'-P energy: -119.583
bonds (distance) P-C4' energy: -121.048
flat angles C4'-P-C4' energy: -135.679
flat angles P-C4'-P energy: -95.698
tors. eta vs tors. theta energy: -170.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1999.712057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.712057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.712057 (E_RNA)
where:
Base-Base interactions energy: -1359.063
where: short stacking energy: -580.578
Base-Backbone interact. energy: -0.113
local terms energy: -640.536055
where:
bonds (distance) C4'-P energy: -124.297
bonds (distance) P-C4' energy: -124.208
flat angles C4'-P-C4' energy: -149.603
flat angles P-C4'-P energy: -77.568
tors. eta vs tors. theta energy: -164.859
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: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2033.798163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.798163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.798163 (E_RNA)
where:
Base-Base interactions energy: -1419.756
where: short stacking energy: -610.938
Base-Backbone interact. energy: -0.004
local terms energy: -614.037874
where:
bonds (distance) C4'-P energy: -105.762
bonds (distance) P-C4' energy: -128.059
flat angles C4'-P-C4' energy: -141.938
flat angles P-C4'-P energy: -81.898
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: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1732.104204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.104204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.104204 (E_RNA)
where:
Base-Base interactions energy: -1169.653
where: short stacking energy: -500.676
Base-Backbone interact. energy: -3.600
local terms energy: -558.851810
where:
bonds (distance) C4'-P energy: -101.075
bonds (distance) P-C4' energy: -110.666
flat angles C4'-P-C4' energy: -128.559
flat angles P-C4'-P energy: -87.394
tors. eta vs tors. theta energy: -131.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1631.037842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.037842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.037842 (E_RNA)
where:
Base-Base interactions energy: -1086.320
where: short stacking energy: -468.590
Base-Backbone interact. energy: 0.178
local terms energy: -544.895799
where:
bonds (distance) C4'-P energy: -103.847
bonds (distance) P-C4' energy: -105.341
flat angles C4'-P-C4' energy: -139.975
flat angles P-C4'-P energy: -70.917
tors. eta vs tors. theta energy: -124.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1233.886109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.886109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.886109 (E_RNA)
where:
Base-Base interactions energy: -762.010
where: short stacking energy: -337.012
Base-Backbone interact. energy: 1.068
local terms energy: -472.944309
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -129.562
flat angles C4'-P-C4' energy: -102.752
flat angles P-C4'-P energy: -70.681
tors. eta vs tors. theta energy: -63.534
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: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -815.510325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.510325 (E_RNA)
where:
Base-Base interactions energy: -446.639
where: short stacking energy: -238.055
Base-Backbone interact. energy: 0.128
local terms energy: -368.998868
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -108.453
flat angles C4'-P-C4' energy: -87.291
flat angles P-C4'-P energy: -43.849
tors. eta vs tors. theta energy: -14.895
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: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -728.085263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.085263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.085263 (E_RNA)
where:
Base-Base interactions energy: -379.942
where: short stacking energy: -215.272
Base-Backbone interact. energy: 1.178
local terms energy: -349.321727
where:
bonds (distance) C4'-P energy: -115.733
bonds (distance) P-C4' energy: -103.512
flat angles C4'-P-C4' energy: -79.006
flat angles P-C4'-P energy: -49.607
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2300.847675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.847675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.847675 (E_RNA)
where:
Base-Base interactions energy: -1601.010
where: short stacking energy: -626.524
Base-Backbone interact. energy: 0.376
local terms energy: -700.213605
where:
bonds (distance) C4'-P energy: -144.872
bonds (distance) P-C4' energy: -132.320
flat angles C4'-P-C4' energy: -144.304
flat angles P-C4'-P energy: -100.453
tors. eta vs tors. theta energy: -178.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2222.658710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.658710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.658710 (E_RNA)
where:
Base-Base interactions energy: -1536.293
where: short stacking energy: -657.613
Base-Backbone interact. energy: -2.236
local terms energy: -684.129321
where:
bonds (distance) C4'-P energy: -122.934
bonds (distance) P-C4' energy: -123.390
flat angles C4'-P-C4' energy: -153.743
flat angles P-C4'-P energy: -101.147
tors. eta vs tors. theta energy: -182.915
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: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2091.484102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.484102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.484102 (E_RNA)
where:
Base-Base interactions energy: -1437.765
where: short stacking energy: -596.947
Base-Backbone interact. energy: -1.774
local terms energy: -651.944610
where:
bonds (distance) C4'-P energy: -120.480
bonds (distance) P-C4' energy: -134.398
flat angles C4'-P-C4' energy: -129.591
flat angles P-C4'-P energy: -102.988
tors. eta vs tors. theta energy: -164.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2056.551006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.551006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.551006 (E_RNA)
where:
Base-Base interactions energy: -1383.013
where: short stacking energy: -566.850
Base-Backbone interact. energy: -1.929
local terms energy: -671.609739
where:
bonds (distance) C4'-P energy: -125.580
bonds (distance) P-C4' energy: -134.795
flat angles C4'-P-C4' energy: -150.993
flat angles P-C4'-P energy: -89.717
tors. eta vs tors. theta energy: -170.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1941.574767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.574767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.574767 (E_RNA)
where:
Base-Base interactions energy: -1312.371
where: short stacking energy: -575.945
Base-Backbone interact. energy: -2.242
local terms energy: -626.960954
where:
bonds (distance) C4'-P energy: -123.389
bonds (distance) P-C4' energy: -112.283
flat angles C4'-P-C4' energy: -138.334
flat angles P-C4'-P energy: -81.096
tors. eta vs tors. theta energy: -171.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1762.624891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.624891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.624891 (E_RNA)
where:
Base-Base interactions energy: -1190.948
where: short stacking energy: -500.601
Base-Backbone interact. energy: -4.262
local terms energy: -567.415730
where:
bonds (distance) C4'-P energy: -119.911
bonds (distance) P-C4' energy: -107.395
flat angles C4'-P-C4' energy: -134.761
flat angles P-C4'-P energy: -75.433
tors. eta vs tors. theta energy: -129.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1593.071288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.071288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.071288 (E_RNA)
where:
Base-Base interactions energy: -1077.566
where: short stacking energy: -481.883
Base-Backbone interact. energy: -3.350
local terms energy: -512.155630
where:
bonds (distance) C4'-P energy: -108.247
bonds (distance) P-C4' energy: -105.066
flat angles C4'-P-C4' energy: -115.486
flat angles P-C4'-P energy: -78.235
tors. eta vs tors. theta energy: -105.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1309.825476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.825476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.825476 (E_RNA)
where:
Base-Base interactions energy: -853.866
where: short stacking energy: -394.606
Base-Backbone interact. energy: -0.446
local terms energy: -455.513989
where:
bonds (distance) C4'-P energy: -109.434
bonds (distance) P-C4' energy: -99.446
flat angles C4'-P-C4' energy: -105.676
flat angles P-C4'-P energy: -60.526
tors. eta vs tors. theta energy: -80.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -897.113581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.113581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.113581 (E_RNA)
where:
Base-Base interactions energy: -496.846
where: short stacking energy: -272.713
Base-Backbone interact. energy: 5.005
local terms energy: -405.272554
where:
bonds (distance) C4'-P energy: -92.898
bonds (distance) P-C4' energy: -127.457
flat angles C4'-P-C4' energy: -94.872
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -22.592
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: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -662.103382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.103382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.103382 (E_RNA)
where:
Base-Base interactions energy: -288.597
where: short stacking energy: -167.554
Base-Backbone interact. energy: 3.246
local terms energy: -376.751955
where:
bonds (distance) C4'-P energy: -101.287
bonds (distance) P-C4' energy: -122.243
flat angles C4'-P-C4' energy: -96.981
flat angles P-C4'-P energy: -52.191
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2317.667365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.667365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.667365 (E_RNA)
where:
Base-Base interactions energy: -1627.589
where: short stacking energy: -620.217
Base-Backbone interact. energy: -2.937
local terms energy: -687.141822
where:
bonds (distance) C4'-P energy: -138.624
bonds (distance) P-C4' energy: -145.748
flat angles C4'-P-C4' energy: -138.079
flat angles P-C4'-P energy: -92.760
tors. eta vs tors. theta energy: -171.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2220.631408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.631408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.631408 (E_RNA)
where:
Base-Base interactions energy: -1558.262
where: short stacking energy: -651.417
Base-Backbone interact. energy: -0.573
local terms energy: -661.797230
where:
bonds (distance) C4'-P energy: -124.797
bonds (distance) P-C4' energy: -117.795
flat angles C4'-P-C4' energy: -141.892
flat angles P-C4'-P energy: -98.820
tors. eta vs tors. theta energy: -178.494
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: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2113.406789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.406789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.406789 (E_RNA)
where:
Base-Base interactions energy: -1469.082
where: short stacking energy: -624.507
Base-Backbone interact. energy: 0.079
local terms energy: -644.404189
where:
bonds (distance) C4'-P energy: -125.272
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -139.974
flat angles P-C4'-P energy: -77.694
tors. eta vs tors. theta energy: -173.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2039.226463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.226463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.226463 (E_RNA)
where:
Base-Base interactions energy: -1424.617
where: short stacking energy: -613.725
Base-Backbone interact. energy: -3.016
local terms energy: -611.593316
where:
bonds (distance) C4'-P energy: -119.678
bonds (distance) P-C4' energy: -91.368
flat angles C4'-P-C4' energy: -146.028
flat angles P-C4'-P energy: -89.574
tors. eta vs tors. theta energy: -164.946
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: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1898.555712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.555712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.555712 (E_RNA)
where:
Base-Base interactions energy: -1310.685
where: short stacking energy: -590.686
Base-Backbone interact. energy: 1.832
local terms energy: -589.702357
where:
bonds (distance) C4'-P energy: -93.160
bonds (distance) P-C4' energy: -105.008
flat angles C4'-P-C4' energy: -143.841
flat angles P-C4'-P energy: -88.250
tors. eta vs tors. theta energy: -159.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1783.969849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.969849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.969849 (E_RNA)
where:
Base-Base interactions energy: -1200.063
where: short stacking energy: -519.802
Base-Backbone interact. energy: -3.088
local terms energy: -580.818696
where:
bonds (distance) C4'-P energy: -113.585
bonds (distance) P-C4' energy: -108.405
flat angles C4'-P-C4' energy: -124.896
flat angles P-C4'-P energy: -92.759
tors. eta vs tors. theta energy: -141.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1586.483704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.483704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.483704 (E_RNA)
where:
Base-Base interactions energy: -1048.414
where: short stacking energy: -439.895
Base-Backbone interact. energy: -2.126
local terms energy: -535.944463
where:
bonds (distance) C4'-P energy: -109.108
bonds (distance) P-C4' energy: -124.625
flat angles C4'-P-C4' energy: -126.421
flat angles P-C4'-P energy: -65.338
tors. eta vs tors. theta energy: -110.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1293.964505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.964505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.964505 (E_RNA)
where:
Base-Base interactions energy: -816.312
where: short stacking energy: -396.660
Base-Backbone interact. energy: 4.032
local terms energy: -481.684672
where:
bonds (distance) C4'-P energy: -93.917
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -117.789
flat angles P-C4'-P energy: -64.856
tors. eta vs tors. theta energy: -71.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -880.458486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.458486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.458486 (E_RNA)
where:
Base-Base interactions energy: -483.029
where: short stacking energy: -267.353
Base-Backbone interact. energy: -3.473
local terms energy: -393.956295
where:
bonds (distance) C4'-P energy: -84.294
bonds (distance) P-C4' energy: -105.717
flat angles C4'-P-C4' energy: -105.007
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -33.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -665.345246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.345246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.345246 (E_RNA)
where:
Base-Base interactions energy: -324.085
where: short stacking energy: -206.247
Base-Backbone interact. energy: -0.144
local terms energy: -341.116122
where:
bonds (distance) C4'-P energy: -80.949
bonds (distance) P-C4' energy: -99.296
flat angles C4'-P-C4' energy: -90.460
flat angles P-C4'-P energy: -52.916
tors. eta vs tors. theta energy: -17.496
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: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2296.204589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.204589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.204589 (E_RNA)
where:
Base-Base interactions energy: -1626.335
where: short stacking energy: -647.883
Base-Backbone interact. energy: -5.135
local terms energy: -664.734523
where:
bonds (distance) C4'-P energy: -130.497
bonds (distance) P-C4' energy: -121.422
flat angles C4'-P-C4' energy: -142.651
flat angles P-C4'-P energy: -84.962
tors. eta vs tors. theta energy: -185.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2253.593708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.593708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.593708 (E_RNA)
where:
Base-Base interactions energy: -1572.537
where: short stacking energy: -695.143
Base-Backbone interact. energy: -1.585
local terms energy: -679.471562
where:
bonds (distance) C4'-P energy: -135.849
bonds (distance) P-C4' energy: -121.916
flat angles C4'-P-C4' energy: -150.101
flat angles P-C4'-P energy: -79.017
tors. eta vs tors. theta energy: -192.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2131.193291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.193291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.193291 (E_RNA)
where:
Base-Base interactions energy: -1464.347
where: short stacking energy: -586.389
Base-Backbone interact. energy: -0.570
local terms energy: -666.276817
where:
bonds (distance) C4'-P energy: -131.964
bonds (distance) P-C4' energy: -130.395
flat angles C4'-P-C4' energy: -135.323
flat angles P-C4'-P energy: -96.849
tors. eta vs tors. theta energy: -171.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2015.559612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.559612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.559612 (E_RNA)
where:
Base-Base interactions energy: -1399.716
where: short stacking energy: -558.882
Base-Backbone interact. energy: -0.846
local terms energy: -614.997650
where:
bonds (distance) C4'-P energy: -118.270
bonds (distance) P-C4' energy: -97.985
flat angles C4'-P-C4' energy: -135.085
flat angles P-C4'-P energy: -104.742
tors. eta vs tors. theta energy: -158.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1925.437469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.437469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.437469 (E_RNA)
where:
Base-Base interactions energy: -1295.891
where: short stacking energy: -579.149
Base-Backbone interact. energy: -3.197
local terms energy: -626.349402
where:
bonds (distance) C4'-P energy: -117.687
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -135.672
flat angles P-C4'-P energy: -90.393
tors. eta vs tors. theta energy: -154.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1789.356510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.356510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.356510 (E_RNA)
where:
Base-Base interactions energy: -1228.115
where: short stacking energy: -531.568
Base-Backbone interact. energy: -5.315
local terms energy: -555.926635
where:
bonds (distance) C4'-P energy: -102.798
bonds (distance) P-C4' energy: -109.980
flat angles C4'-P-C4' energy: -132.408
flat angles P-C4'-P energy: -80.358
tors. eta vs tors. theta energy: -130.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1500.314032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.314032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.314032 (E_RNA)
where:
Base-Base interactions energy: -989.975
where: short stacking energy: -447.406
Base-Backbone interact. energy: 0.858
local terms energy: -511.197402
where:
bonds (distance) C4'-P energy: -102.438
bonds (distance) P-C4' energy: -122.599
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -69.994
tors. eta vs tors. theta energy: -90.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1289.889142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.889142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.889142 (E_RNA)
where:
Base-Base interactions energy: -790.221
where: short stacking energy: -378.477
Base-Backbone interact. energy: -1.490
local terms energy: -498.178339
where:
bonds (distance) C4'-P energy: -117.512
bonds (distance) P-C4' energy: -114.388
flat angles C4'-P-C4' energy: -113.946
flat angles P-C4'-P energy: -61.950
tors. eta vs tors. theta energy: -90.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -754.219984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.219984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.219984 (E_RNA)
where:
Base-Base interactions energy: -379.050
where: short stacking energy: -224.468
Base-Backbone interact. energy: 1.119
local terms energy: -376.288711
where:
bonds (distance) C4'-P energy: -107.770
bonds (distance) P-C4' energy: -92.891
flat angles C4'-P-C4' energy: -107.796
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -654.876972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.876972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.876972 (E_RNA)
where:
Base-Base interactions energy: -284.692
where: short stacking energy: -173.022
Base-Backbone interact. energy: -1.729
local terms energy: -368.455441
where:
bonds (distance) C4'-P energy: -120.617
bonds (distance) P-C4' energy: -107.817
flat angles C4'-P-C4' energy: -98.925
flat angles P-C4'-P energy: -58.332
tors. eta vs tors. theta energy: 17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2307.133646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.133646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.133646 (E_RNA)
where:
Base-Base interactions energy: -1644.758
where: short stacking energy: -653.332
Base-Backbone interact. energy: 3.410
local terms energy: -665.785600
where:
bonds (distance) C4'-P energy: -115.286
bonds (distance) P-C4' energy: -126.358
flat angles C4'-P-C4' energy: -153.167
flat angles P-C4'-P energy: -94.616
tors. eta vs tors. theta energy: -176.359
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: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2236.470872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.470872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.470872 (E_RNA)
where:
Base-Base interactions energy: -1537.554
where: short stacking energy: -684.432
Base-Backbone interact. energy: -5.504
local terms energy: -693.413403
where:
bonds (distance) C4'-P energy: -144.432
bonds (distance) P-C4' energy: -124.584
flat angles C4'-P-C4' energy: -138.603
flat angles P-C4'-P energy: -92.569
tors. eta vs tors. theta energy: -193.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2166.245632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.245632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.245632 (E_RNA)
where:
Base-Base interactions energy: -1494.815
where: short stacking energy: -601.008
Base-Backbone interact. energy: -0.611
local terms energy: -670.819882
where:
bonds (distance) C4'-P energy: -119.926
bonds (distance) P-C4' energy: -137.913
flat angles C4'-P-C4' energy: -138.769
flat angles P-C4'-P energy: -98.724
tors. eta vs tors. theta energy: -175.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2074.132235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.132235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.132235 (E_RNA)
where:
Base-Base interactions energy: -1410.543
where: short stacking energy: -639.007
Base-Backbone interact. energy: -0.156
local terms energy: -663.432708
where:
bonds (distance) C4'-P energy: -121.817
bonds (distance) P-C4' energy: -113.723
flat angles C4'-P-C4' energy: -146.311
flat angles P-C4'-P energy: -92.949
tors. eta vs tors. theta energy: -188.632
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: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1904.158484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.158484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.158484 (E_RNA)
where:
Base-Base interactions energy: -1308.265
where: short stacking energy: -572.184
Base-Backbone interact. energy: -2.073
local terms energy: -593.820263
where:
bonds (distance) C4'-P energy: -125.272
bonds (distance) P-C4' energy: -117.921
flat angles C4'-P-C4' energy: -129.679
flat angles P-C4'-P energy: -73.919
tors. eta vs tors. theta energy: -147.030
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: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1798.600626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.600626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.600626 (E_RNA)
where:
Base-Base interactions energy: -1239.941
where: short stacking energy: -558.054
Base-Backbone interact. energy: 2.097
local terms energy: -560.756649
where:
bonds (distance) C4'-P energy: -119.538
bonds (distance) P-C4' energy: -100.848
flat angles C4'-P-C4' energy: -125.661
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -139.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1479.276623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.276623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.276623 (E_RNA)
where:
Base-Base interactions energy: -976.720
where: short stacking energy: -422.346
Base-Backbone interact. energy: -4.210
local terms energy: -498.346284
where:
bonds (distance) C4'-P energy: -99.832
bonds (distance) P-C4' energy: -101.232
flat angles C4'-P-C4' energy: -125.279
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -99.130
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: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1296.450938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.450938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.450938 (E_RNA)
where:
Base-Base interactions energy: -835.999
where: short stacking energy: -395.009
Base-Backbone interact. energy: -1.885
local terms energy: -458.567093
where:
bonds (distance) C4'-P energy: -110.815
bonds (distance) P-C4' energy: -109.992
flat angles C4'-P-C4' energy: -104.205
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -84.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -826.466906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.466906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.466906 (E_RNA)
where:
Base-Base interactions energy: -448.782
where: short stacking energy: -241.672
Base-Backbone interact. energy: -0.439
local terms energy: -377.245688
where:
bonds (distance) C4'-P energy: -102.509
bonds (distance) P-C4' energy: -112.031
flat angles C4'-P-C4' energy: -94.701
flat angles P-C4'-P energy: -63.690
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -651.368573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.368573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.368573 (E_RNA)
where:
Base-Base interactions energy: -290.298
where: short stacking energy: -186.066
Base-Backbone interact. energy: 1.950
local terms energy: -363.020629
where:
bonds (distance) C4'-P energy: -85.901
bonds (distance) P-C4' energy: -132.407
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -62.085
tors. eta vs tors. theta energy: 13.185
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: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2323.134991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.134991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.134991 (E_RNA)
where:
Base-Base interactions energy: -1615.553
where: short stacking energy: -668.033
Base-Backbone interact. energy: -6.224
local terms energy: -701.357985
where:
bonds (distance) C4'-P energy: -130.952
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -152.603
flat angles P-C4'-P energy: -108.885
tors. eta vs tors. theta energy: -189.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2257.071204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.071204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.071204 (E_RNA)
where:
Base-Base interactions energy: -1555.042
where: short stacking energy: -660.954
Base-Backbone interact. energy: -2.092
local terms energy: -699.937496
where:
bonds (distance) C4'-P energy: -119.620
bonds (distance) P-C4' energy: -141.743
flat angles C4'-P-C4' energy: -153.738
flat angles P-C4'-P energy: -99.521
tors. eta vs tors. theta energy: -185.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2136.147557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.147557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.147557 (E_RNA)
where:
Base-Base interactions energy: -1469.910
where: short stacking energy: -603.044
Base-Backbone interact. energy: -2.004
local terms energy: -664.233451
where:
bonds (distance) C4'-P energy: -127.763
bonds (distance) P-C4' energy: -127.696
flat angles C4'-P-C4' energy: -134.015
flat angles P-C4'-P energy: -104.362
tors. eta vs tors. theta energy: -170.398
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: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2045.545686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.545686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.545686 (E_RNA)
where:
Base-Base interactions energy: -1392.876
where: short stacking energy: -591.045
Base-Backbone interact. energy: -0.418
local terms energy: -652.251762
where:
bonds (distance) C4'-P energy: -107.974
bonds (distance) P-C4' energy: -133.233
flat angles C4'-P-C4' energy: -146.038
flat angles P-C4'-P energy: -92.169
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: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1925.282328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.282328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.282328 (E_RNA)
where:
Base-Base interactions energy: -1301.136
where: short stacking energy: -574.805
Base-Backbone interact. energy: -3.194
local terms energy: -620.952594
where:
bonds (distance) C4'-P energy: -122.106
bonds (distance) P-C4' energy: -132.820
flat angles C4'-P-C4' energy: -125.800
flat angles P-C4'-P energy: -88.921
tors. eta vs tors. theta energy: -151.306
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: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1796.225019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.225019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.225019 (E_RNA)
where:
Base-Base interactions energy: -1231.866
where: short stacking energy: -538.358
Base-Backbone interact. energy: -2.155
local terms energy: -562.204677
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -94.207
flat angles C4'-P-C4' energy: -121.454
flat angles P-C4'-P energy: -84.865
tors. eta vs tors. theta energy: -134.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1558.912624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.912624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.912624 (E_RNA)
where:
Base-Base interactions energy: -1020.370
where: short stacking energy: -454.053
Base-Backbone interact. energy: -1.129
local terms energy: -537.413885
where:
bonds (distance) C4'-P energy: -106.151
bonds (distance) P-C4' energy: -113.840
flat angles C4'-P-C4' energy: -127.932
flat angles P-C4'-P energy: -79.132
tors. eta vs tors. theta energy: -110.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1286.020357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.020357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.020357 (E_RNA)
where:
Base-Base interactions energy: -835.949
where: short stacking energy: -399.824
Base-Backbone interact. energy: -1.084
local terms energy: -448.987936
where:
bonds (distance) C4'-P energy: -88.295
bonds (distance) P-C4' energy: -103.256
flat angles C4'-P-C4' energy: -125.840
flat angles P-C4'-P energy: -62.234
tors. eta vs tors. theta energy: -69.363
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: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -793.475630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.475630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.475630 (E_RNA)
where:
Base-Base interactions energy: -399.572
where: short stacking energy: -229.870
Base-Backbone interact. energy: 1.425
local terms energy: -395.329165
where:
bonds (distance) C4'-P energy: -103.461
bonds (distance) P-C4' energy: -116.840
flat angles C4'-P-C4' energy: -99.972
flat angles P-C4'-P energy: -53.314
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -656.659061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.659061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.659061 (E_RNA)
where:
Base-Base interactions energy: -310.120
where: short stacking energy: -200.125
Base-Backbone interact. energy: -0.344
local terms energy: -346.194426
where:
bonds (distance) C4'-P energy: -92.533
bonds (distance) P-C4' energy: -118.844
flat angles C4'-P-C4' energy: -106.763
flat angles P-C4'-P energy: -51.411
tors. eta vs tors. theta energy: 23.357
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: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2338.375148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.375148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.375148 (E_RNA)
where:
Base-Base interactions energy: -1631.417
where: short stacking energy: -644.507
Base-Backbone interact. energy: -2.729
local terms energy: -704.228986
where:
bonds (distance) C4'-P energy: -140.253
bonds (distance) P-C4' energy: -129.417
flat angles C4'-P-C4' energy: -148.752
flat angles P-C4'-P energy: -101.032
tors. eta vs tors. theta energy: -184.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2260.925178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.925178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.925178 (E_RNA)
where:
Base-Base interactions energy: -1558.720
where: short stacking energy: -667.418
Base-Backbone interact. energy: -3.811
local terms energy: -698.394606
where:
bonds (distance) C4'-P energy: -124.338
bonds (distance) P-C4' energy: -128.481
flat angles C4'-P-C4' energy: -152.960
flat angles P-C4'-P energy: -99.161
tors. eta vs tors. theta energy: -193.454
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: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2159.588698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.588698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.588698 (E_RNA)
where:
Base-Base interactions energy: -1520.476
where: short stacking energy: -637.979
Base-Backbone interact. energy: -2.198
local terms energy: -636.914354
where:
bonds (distance) C4'-P energy: -104.251
bonds (distance) P-C4' energy: -122.597
flat angles C4'-P-C4' energy: -142.848
flat angles P-C4'-P energy: -85.932
tors. eta vs tors. theta energy: -181.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2080.710785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.710785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.710785 (E_RNA)
where:
Base-Base interactions energy: -1422.023
where: short stacking energy: -600.320
Base-Backbone interact. energy: -1.776
local terms energy: -656.911714
where:
bonds (distance) C4'-P energy: -126.486
bonds (distance) P-C4' energy: -113.947
flat angles C4'-P-C4' energy: -142.238
flat angles P-C4'-P energy: -95.756
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: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1841.157132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.157132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.157132 (E_RNA)
where:
Base-Base interactions energy: -1251.568
where: short stacking energy: -558.986
Base-Backbone interact. energy: -3.089
local terms energy: -586.499936
where:
bonds (distance) C4'-P energy: -100.044
bonds (distance) P-C4' energy: -118.323
flat angles C4'-P-C4' energy: -134.172
flat angles P-C4'-P energy: -82.936
tors. eta vs tors. theta energy: -151.026
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: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1868.039207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.039207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.039207 (E_RNA)
where:
Base-Base interactions energy: -1273.110
where: short stacking energy: -555.833
Base-Backbone interact. energy: -5.176
local terms energy: -589.753271
where:
bonds (distance) C4'-P energy: -113.254
bonds (distance) P-C4' energy: -115.549
flat angles C4'-P-C4' energy: -121.102
flat angles P-C4'-P energy: -80.764
tors. eta vs tors. theta energy: -159.085
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: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1553.626802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.626802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.626802 (E_RNA)
where:
Base-Base interactions energy: -1011.689
where: short stacking energy: -455.745
Base-Backbone interact. energy: -2.186
local terms energy: -539.752214
where:
bonds (distance) C4'-P energy: -104.868
bonds (distance) P-C4' energy: -121.962
flat angles C4'-P-C4' energy: -122.355
flat angles P-C4'-P energy: -74.044
tors. eta vs tors. theta energy: -116.523
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: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1256.441848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.441848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.441848 (E_RNA)
where:
Base-Base interactions energy: -778.751
where: short stacking energy: -383.824
Base-Backbone interact. energy: -1.673
local terms energy: -476.017513
where:
bonds (distance) C4'-P energy: -110.176
bonds (distance) P-C4' energy: -116.345
flat angles C4'-P-C4' energy: -106.486
flat angles P-C4'-P energy: -57.184
tors. eta vs tors. theta energy: -85.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -817.881832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.881832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.881832 (E_RNA)
where:
Base-Base interactions energy: -442.520
where: short stacking energy: -231.806
Base-Backbone interact. energy: 6.023
local terms energy: -381.384063
where:
bonds (distance) C4'-P energy: -111.469
bonds (distance) P-C4' energy: -98.122
flat angles C4'-P-C4' energy: -99.259
flat angles P-C4'-P energy: -57.974
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -661.332439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.332439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.332439 (E_RNA)
where:
Base-Base interactions energy: -283.121
where: short stacking energy: -163.763
Base-Backbone interact. energy: -2.455
local terms energy: -375.755969
where:
bonds (distance) C4'-P energy: -97.626
bonds (distance) P-C4' energy: -111.342
flat angles C4'-P-C4' energy: -98.989
flat angles P-C4'-P energy: -82.167
tors. eta vs tors. theta energy: 14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2308.568605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.568605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.568605 (E_RNA)
where:
Base-Base interactions energy: -1629.322
where: short stacking energy: -643.609
Base-Backbone interact. energy: -5.288
local terms energy: -673.958879
where:
bonds (distance) C4'-P energy: -123.736
bonds (distance) P-C4' energy: -137.725
flat angles C4'-P-C4' energy: -143.501
flat angles P-C4'-P energy: -88.492
tors. eta vs tors. theta energy: -180.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2258.924162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.924162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.924162 (E_RNA)
where:
Base-Base interactions energy: -1576.153
where: short stacking energy: -658.327
Base-Backbone interact. energy: 0.327
local terms energy: -683.098075
where:
bonds (distance) C4'-P energy: -140.274
bonds (distance) P-C4' energy: -129.945
flat angles C4'-P-C4' energy: -132.485
flat angles P-C4'-P energy: -93.366
tors. eta vs tors. theta energy: -187.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2145.123555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.123555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.123555 (E_RNA)
where:
Base-Base interactions energy: -1481.714
where: short stacking energy: -609.724
Base-Backbone interact. energy: -4.221
local terms energy: -659.189179
where:
bonds (distance) C4'-P energy: -119.586
bonds (distance) P-C4' energy: -125.344
flat angles C4'-P-C4' energy: -141.727
flat angles P-C4'-P energy: -98.782
tors. eta vs tors. theta energy: -173.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2067.108501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.108501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.108501 (E_RNA)
where:
Base-Base interactions energy: -1407.968
where: short stacking energy: -618.242
Base-Backbone interact. energy: -0.505
local terms energy: -658.634918
where:
bonds (distance) C4'-P energy: -125.908
bonds (distance) P-C4' energy: -113.959
flat angles C4'-P-C4' energy: -147.361
flat angles P-C4'-P energy: -93.178
tors. eta vs tors. theta energy: -178.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1886.157046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.157046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.157046 (E_RNA)
where:
Base-Base interactions energy: -1290.767
where: short stacking energy: -560.482
Base-Backbone interact. energy: 1.945
local terms energy: -597.335629
where:
bonds (distance) C4'-P energy: -95.959
bonds (distance) P-C4' energy: -116.460
flat angles C4'-P-C4' energy: -140.846
flat angles P-C4'-P energy: -87.550
tors. eta vs tors. theta energy: -156.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1784.874435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.874435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.874435 (E_RNA)
where:
Base-Base interactions energy: -1192.829
where: short stacking energy: -508.557
Base-Backbone interact. energy: -1.034
local terms energy: -591.011677
where:
bonds (distance) C4'-P energy: -111.799
bonds (distance) P-C4' energy: -116.210
flat angles C4'-P-C4' energy: -134.496
flat angles P-C4'-P energy: -96.626
tors. eta vs tors. theta energy: -131.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1585.672541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.672541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.672541 (E_RNA)
where:
Base-Base interactions energy: -1016.547
where: short stacking energy: -457.463
Base-Backbone interact. energy: 1.350
local terms energy: -570.476008
where:
bonds (distance) C4'-P energy: -110.116
bonds (distance) P-C4' energy: -126.955
flat angles C4'-P-C4' energy: -123.466
flat angles P-C4'-P energy: -87.276
tors. eta vs tors. theta energy: -122.663
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: 357
Temperature: 1.250000
Total energy: -1232.927025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.927025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.927025 (E_RNA)
where:
Base-Base interactions energy: -769.087
where: short stacking energy: -368.534
Base-Backbone interact. energy: -1.863
local terms energy: -461.976435
where:
bonds (distance) C4'-P energy: -109.075
bonds (distance) P-C4' energy: -106.458
flat angles C4'-P-C4' energy: -112.574
flat angles P-C4'-P energy: -69.755
tors. eta vs tors. theta energy: -64.114
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: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -903.017797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.017797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.017797 (E_RNA)
where:
Base-Base interactions energy: -508.783
where: short stacking energy: -284.090
Base-Backbone interact. energy: -3.059
local terms energy: -391.175924
where:
bonds (distance) C4'-P energy: -85.234
bonds (distance) P-C4' energy: -103.524
flat angles C4'-P-C4' energy: -94.769
flat angles P-C4'-P energy: -68.535
tors. eta vs tors. theta energy: -39.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -698.043346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.043346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.043346 (E_RNA)
where:
Base-Base interactions energy: -303.383
where: short stacking energy: -177.134
Base-Backbone interact. energy: 1.469
local terms energy: -396.128902
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -123.698
flat angles C4'-P-C4' energy: -94.629
flat angles P-C4'-P energy: -63.223
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2317.110238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.110238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.110238 (E_RNA)
where:
Base-Base interactions energy: -1633.550
where: short stacking energy: -637.585
Base-Backbone interact. energy: -1.166
local terms energy: -682.393709
where:
bonds (distance) C4'-P energy: -127.943
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -138.162
flat angles P-C4'-P energy: -97.619
tors. eta vs tors. theta energy: -185.776
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: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2254.477647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.477647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.477647 (E_RNA)
where:
Base-Base interactions energy: -1559.101
where: short stacking energy: -679.404
Base-Backbone interact. energy: -1.550
local terms energy: -693.827349
where:
bonds (distance) C4'-P energy: -118.949
bonds (distance) P-C4' energy: -145.203
flat angles C4'-P-C4' energy: -150.204
flat angles P-C4'-P energy: -89.798
tors. eta vs tors. theta energy: -189.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2147.936866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.936866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.936866 (E_RNA)
where:
Base-Base interactions energy: -1490.838
where: short stacking energy: -607.809
Base-Backbone interact. energy: 7.365
local terms energy: -664.463548
where:
bonds (distance) C4'-P energy: -117.495
bonds (distance) P-C4' energy: -131.769
flat angles C4'-P-C4' energy: -152.942
flat angles P-C4'-P energy: -104.986
tors. eta vs tors. theta energy: -157.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2099.754384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.754384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.754384 (E_RNA)
where:
Base-Base interactions energy: -1470.649
where: short stacking energy: -619.394
Base-Backbone interact. energy: 1.814
local terms energy: -630.919250
where:
bonds (distance) C4'-P energy: -110.836
bonds (distance) P-C4' energy: -122.567
flat angles C4'-P-C4' energy: -136.701
flat angles P-C4'-P energy: -91.695
tors. eta vs tors. theta energy: -169.121
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: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1928.887811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.887811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.887811 (E_RNA)
where:
Base-Base interactions energy: -1332.251
where: short stacking energy: -581.111
Base-Backbone interact. energy: -2.557
local terms energy: -594.079295
where:
bonds (distance) C4'-P energy: -103.298
bonds (distance) P-C4' energy: -124.127
flat angles C4'-P-C4' energy: -140.308
flat angles P-C4'-P energy: -72.802
tors. eta vs tors. theta energy: -153.544
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: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1804.023714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.023714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.023714 (E_RNA)
where:
Base-Base interactions energy: -1231.640
where: short stacking energy: -554.019
Base-Backbone interact. energy: -1.642
local terms energy: -570.741642
where:
bonds (distance) C4'-P energy: -110.040
bonds (distance) P-C4' energy: -117.289
flat angles C4'-P-C4' energy: -129.622
flat angles P-C4'-P energy: -64.329
tors. eta vs tors. theta energy: -149.461
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: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1558.296312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.296312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.296312 (E_RNA)
where:
Base-Base interactions energy: -1026.220
where: short stacking energy: -467.850
Base-Backbone interact. energy: -3.060
local terms energy: -529.016312
where:
bonds (distance) C4'-P energy: -111.912
bonds (distance) P-C4' energy: -115.543
flat angles C4'-P-C4' energy: -124.113
flat angles P-C4'-P energy: -73.250
tors. eta vs tors. theta energy: -104.198
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1204.052470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.052470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.052470 (E_RNA)
where:
Base-Base interactions energy: -758.644
where: short stacking energy: -350.673
Base-Backbone interact. energy: 0.392
local terms energy: -445.800297
where:
bonds (distance) C4'-P energy: -99.825
bonds (distance) P-C4' energy: -108.268
flat angles C4'-P-C4' energy: -124.019
flat angles P-C4'-P energy: -63.935
tors. eta vs tors. theta energy: -49.754
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: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -870.109617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.109617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.109617 (E_RNA)
where:
Base-Base interactions energy: -476.041
where: short stacking energy: -229.900
Base-Backbone interact. energy: -2.627
local terms energy: -391.441641
where:
bonds (distance) C4'-P energy: -82.379
bonds (distance) P-C4' energy: -125.517
flat angles C4'-P-C4' energy: -102.781
flat angles P-C4'-P energy: -64.586
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -636.437085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.437085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.437085 (E_RNA)
where:
Base-Base interactions energy: -269.511
where: short stacking energy: -169.714
Base-Backbone interact. energy: 5.620
local terms energy: -372.546217
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -116.449
flat angles C4'-P-C4' energy: -88.340
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: 5.047
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2350.599642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.599642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.599642 (E_RNA)
where:
Base-Base interactions energy: -1639.797
where: short stacking energy: -670.653
Base-Backbone interact. energy: -3.500
local terms energy: -707.302667
where:
bonds (distance) C4'-P energy: -126.928
bonds (distance) P-C4' energy: -141.919
flat angles C4'-P-C4' energy: -145.937
flat angles P-C4'-P energy: -97.526
tors. eta vs tors. theta energy: -194.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2262.726183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.726183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.726183 (E_RNA)
where:
Base-Base interactions energy: -1549.520
where: short stacking energy: -661.598
Base-Backbone interact. energy: -1.529
local terms energy: -711.677359
where:
bonds (distance) C4'-P energy: -128.955
bonds (distance) P-C4' energy: -138.449
flat angles C4'-P-C4' energy: -156.843
flat angles P-C4'-P energy: -91.695
tors. eta vs tors. theta energy: -195.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2119.746575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.746575 (E_RNA)
where:
Base-Base interactions energy: -1491.776
where: short stacking energy: -593.349
Base-Backbone interact. energy: 1.601
local terms energy: -629.571086
where:
bonds (distance) C4'-P energy: -122.924
bonds (distance) P-C4' energy: -135.130
flat angles C4'-P-C4' energy: -132.143
flat angles P-C4'-P energy: -89.459
tors. eta vs tors. theta energy: -149.914
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: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2087.214539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.214539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.214539 (E_RNA)
where:
Base-Base interactions energy: -1443.724
where: short stacking energy: -596.254
Base-Backbone interact. energy: -1.397
local terms energy: -642.093083
where:
bonds (distance) C4'-P energy: -122.845
bonds (distance) P-C4' energy: -112.483
flat angles C4'-P-C4' energy: -149.950
flat angles P-C4'-P energy: -93.606
tors. eta vs tors. theta energy: -163.208
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1861.661856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.661856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.661856 (E_RNA)
where:
Base-Base interactions energy: -1276.646
where: short stacking energy: -542.099
Base-Backbone interact. energy: -2.764
local terms energy: -582.251911
where:
bonds (distance) C4'-P energy: -121.386
bonds (distance) P-C4' energy: -106.228
flat angles C4'-P-C4' energy: -133.231
flat angles P-C4'-P energy: -77.830
tors. eta vs tors. theta energy: -143.576
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: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1733.200324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.200324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.200324 (E_RNA)
where:
Base-Base interactions energy: -1170.502
where: short stacking energy: -500.772
Base-Backbone interact. energy: -1.561
local terms energy: -561.137170
where:
bonds (distance) C4'-P energy: -109.098
bonds (distance) P-C4' energy: -134.702
flat angles C4'-P-C4' energy: -126.767
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -118.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1523.045045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.045045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.045045 (E_RNA)
where:
Base-Base interactions energy: -985.381
where: short stacking energy: -431.899
Base-Backbone interact. energy: 2.042
local terms energy: -539.706146
where:
bonds (distance) C4'-P energy: -117.465
bonds (distance) P-C4' energy: -104.171
flat angles C4'-P-C4' energy: -133.036
flat angles P-C4'-P energy: -83.461
tors. eta vs tors. theta energy: -101.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1241.914255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.914255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.914255 (E_RNA)
where:
Base-Base interactions energy: -784.861
where: short stacking energy: -364.907
Base-Backbone interact. energy: 0.806
local terms energy: -457.859479
where:
bonds (distance) C4'-P energy: -104.476
bonds (distance) P-C4' energy: -114.164
flat angles C4'-P-C4' energy: -115.444
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -55.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -947.519354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.519354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.519354 (E_RNA)
where:
Base-Base interactions energy: -514.742
where: short stacking energy: -294.252
Base-Backbone interact. energy: -2.891
local terms energy: -429.885446
where:
bonds (distance) C4'-P energy: -116.175
bonds (distance) P-C4' energy: -117.067
flat angles C4'-P-C4' energy: -94.927
flat angles P-C4'-P energy: -64.966
tors. eta vs tors. theta energy: -36.751
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: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -677.734280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.734280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.734280 (E_RNA)
where:
Base-Base interactions energy: -334.956
where: short stacking energy: -171.461
Base-Backbone interact. energy: 10.366
local terms energy: -353.143794
where:
bonds (distance) C4'-P energy: -109.784
bonds (distance) P-C4' energy: -96.028
flat angles C4'-P-C4' energy: -100.041
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: 11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2319.751442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.751442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.751442 (E_RNA)
where:
Base-Base interactions energy: -1612.789
where: short stacking energy: -670.297
Base-Backbone interact. energy: -1.147
local terms energy: -705.815529
where:
bonds (distance) C4'-P energy: -111.562
bonds (distance) P-C4' energy: -142.935
flat angles C4'-P-C4' energy: -150.424
flat angles P-C4'-P energy: -111.463
tors. eta vs tors. theta energy: -189.432
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: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2268.945141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.945141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.945141 (E_RNA)
where:
Base-Base interactions energy: -1567.338
where: short stacking energy: -673.927
Base-Backbone interact. energy: -6.196
local terms energy: -695.411557
where:
bonds (distance) C4'-P energy: -131.748
bonds (distance) P-C4' energy: -121.471
flat angles C4'-P-C4' energy: -148.514
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -199.009
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: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2138.995806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.995806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.995806 (E_RNA)
where:
Base-Base interactions energy: -1471.386
where: short stacking energy: -630.236
Base-Backbone interact. energy: 0.061
local terms energy: -667.671514
where:
bonds (distance) C4'-P energy: -130.465
bonds (distance) P-C4' energy: -121.338
flat angles C4'-P-C4' energy: -151.664
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -175.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2088.177403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.177403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.177403 (E_RNA)
where:
Base-Base interactions energy: -1429.154
where: short stacking energy: -583.751
Base-Backbone interact. energy: -1.949
local terms energy: -657.073875
where:
bonds (distance) C4'-P energy: -116.356
bonds (distance) P-C4' energy: -121.314
flat angles C4'-P-C4' energy: -142.521
flat angles P-C4'-P energy: -103.104
tors. eta vs tors. theta energy: -173.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1870.365422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.365422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.365422 (E_RNA)
where:
Base-Base interactions energy: -1287.388
where: short stacking energy: -556.506
Base-Backbone interact. energy: -1.662
local terms energy: -581.315197
where:
bonds (distance) C4'-P energy: -112.168
bonds (distance) P-C4' energy: -119.390
flat angles C4'-P-C4' energy: -124.730
flat angles P-C4'-P energy: -75.600
tors. eta vs tors. theta energy: -149.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1741.579168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.579168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.579168 (E_RNA)
where:
Base-Base interactions energy: -1194.981
where: short stacking energy: -532.323
Base-Backbone interact. energy: 1.359
local terms energy: -547.956545
where:
bonds (distance) C4'-P energy: -101.069
bonds (distance) P-C4' energy: -115.189
flat angles C4'-P-C4' energy: -127.698
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -124.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1509.250069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.250069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.250069 (E_RNA)
where:
Base-Base interactions energy: -1018.175
where: short stacking energy: -451.497
Base-Backbone interact. energy: -0.998
local terms energy: -490.076994
where:
bonds (distance) C4'-P energy: -99.069
bonds (distance) P-C4' energy: -105.454
flat angles C4'-P-C4' energy: -106.414
flat angles P-C4'-P energy: -76.476
tors. eta vs tors. theta energy: -102.664
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: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1205.875247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.875247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.875247 (E_RNA)
where:
Base-Base interactions energy: -759.470
where: short stacking energy: -331.319
Base-Backbone interact. energy: -2.776
local terms energy: -443.628525
where:
bonds (distance) C4'-P energy: -107.678
bonds (distance) P-C4' energy: -108.749
flat angles C4'-P-C4' energy: -111.155
flat angles P-C4'-P energy: -54.103
tors. eta vs tors. theta energy: -61.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -854.884384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.884384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.884384 (E_RNA)
where:
Base-Base interactions energy: -460.180
where: short stacking energy: -248.014
Base-Backbone interact. energy: -1.440
local terms energy: -393.264002
where:
bonds (distance) C4'-P energy: -106.621
bonds (distance) P-C4' energy: -107.778
flat angles C4'-P-C4' energy: -105.144
flat angles P-C4'-P energy: -53.886
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -666.237946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.237946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.237946 (E_RNA)
where:
Base-Base interactions energy: -312.759
where: short stacking energy: -189.417
Base-Backbone interact. energy: 8.649
local terms energy: -362.128051
where:
bonds (distance) C4'-P energy: -109.214
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -90.762
flat angles P-C4'-P energy: -59.840
tors. eta vs tors. theta energy: 7.421
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: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2308.535915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.535915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.535915 (E_RNA)
where:
Base-Base interactions energy: -1618.046
where: short stacking energy: -661.798
Base-Backbone interact. energy: -0.178
local terms energy: -690.312079
where:
bonds (distance) C4'-P energy: -128.172
bonds (distance) P-C4' energy: -119.845
flat angles C4'-P-C4' energy: -151.885
flat angles P-C4'-P energy: -98.452
tors. eta vs tors. theta energy: -191.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2272.743379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.743379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.743379 (E_RNA)
where:
Base-Base interactions energy: -1557.668
where: short stacking energy: -665.034
Base-Backbone interact. energy: -2.309
local terms energy: -712.766954
where:
bonds (distance) C4'-P energy: -142.129
bonds (distance) P-C4' energy: -129.907
flat angles C4'-P-C4' energy: -148.279
flat angles P-C4'-P energy: -93.528
tors. eta vs tors. theta energy: -198.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2158.185621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.185621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.185621 (E_RNA)
where:
Base-Base interactions energy: -1468.991
where: short stacking energy: -653.137
Base-Backbone interact. energy: -1.481
local terms energy: -687.713134
where:
bonds (distance) C4'-P energy: -131.828
bonds (distance) P-C4' energy: -122.151
flat angles C4'-P-C4' energy: -141.719
flat angles P-C4'-P energy: -98.884
tors. eta vs tors. theta energy: -193.131
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: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2092.957795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.957795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.957795 (E_RNA)
where:
Base-Base interactions energy: -1466.263
where: short stacking energy: -612.486
Base-Backbone interact. energy: -2.219
local terms energy: -624.475944
where:
bonds (distance) C4'-P energy: -115.193
bonds (distance) P-C4' energy: -119.638
flat angles C4'-P-C4' energy: -141.847
flat angles P-C4'-P energy: -87.929
tors. eta vs tors. theta energy: -159.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1887.047321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.047321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.047321 (E_RNA)
where:
Base-Base interactions energy: -1275.627
where: short stacking energy: -559.546
Base-Backbone interact. energy: -0.776
local terms energy: -610.644697
where:
bonds (distance) C4'-P energy: -101.364
bonds (distance) P-C4' energy: -117.962
flat angles C4'-P-C4' energy: -137.292
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -157.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1732.017967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.017967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.017967 (E_RNA)
where:
Base-Base interactions energy: -1186.027
where: short stacking energy: -500.694
Base-Backbone interact. energy: -1.748
local terms energy: -544.242968
where:
bonds (distance) C4'-P energy: -93.770
bonds (distance) P-C4' energy: -105.941
flat angles C4'-P-C4' energy: -138.189
flat angles P-C4'-P energy: -68.890
tors. eta vs tors. theta energy: -137.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1529.947120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.947120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.947120 (E_RNA)
where:
Base-Base interactions energy: -1026.069
where: short stacking energy: -433.530
Base-Backbone interact. energy: -1.899
local terms energy: -501.978847
where:
bonds (distance) C4'-P energy: -116.462
bonds (distance) P-C4' energy: -95.971
flat angles C4'-P-C4' energy: -109.481
flat angles P-C4'-P energy: -84.305
tors. eta vs tors. theta energy: -95.759
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1266.474439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.474439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.474439 (E_RNA)
where:
Base-Base interactions energy: -755.767
where: short stacking energy: -369.541
Base-Backbone interact. energy: 6.316
local terms energy: -517.022968
where:
bonds (distance) C4'-P energy: -112.092
bonds (distance) P-C4' energy: -131.916
flat angles C4'-P-C4' energy: -127.108
flat angles P-C4'-P energy: -77.134
tors. eta vs tors. theta energy: -68.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -864.505549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.505549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.505549 (E_RNA)
where:
Base-Base interactions energy: -473.616
where: short stacking energy: -256.678
Base-Backbone interact. energy: -1.140
local terms energy: -389.749545
where:
bonds (distance) C4'-P energy: -107.561
bonds (distance) P-C4' energy: -115.449
flat angles C4'-P-C4' energy: -82.720
flat angles P-C4'-P energy: -65.125
tors. eta vs tors. theta energy: -18.895
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: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -649.787182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.787182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.787182 (E_RNA)
where:
Base-Base interactions energy: -319.848
where: short stacking energy: -186.740
Base-Backbone interact. energy: 0.984
local terms energy: -330.922992
where:
bonds (distance) C4'-P energy: -102.103
bonds (distance) P-C4' energy: -87.895
flat angles C4'-P-C4' energy: -91.729
flat angles P-C4'-P energy: -58.136
tors. eta vs tors. theta energy: 8.940
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2307.124562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.124562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.124562 (E_RNA)
where:
Base-Base interactions energy: -1620.948
where: short stacking energy: -641.815
Base-Backbone interact. energy: -2.425
local terms energy: -683.751211
where:
bonds (distance) C4'-P energy: -121.489
bonds (distance) P-C4' energy: -133.085
flat angles C4'-P-C4' energy: -145.722
flat angles P-C4'-P energy: -98.943
tors. eta vs tors. theta energy: -184.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2277.924478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.924478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.924478 (E_RNA)
where:
Base-Base interactions energy: -1585.672
where: short stacking energy: -701.743
Base-Backbone interact. energy: -0.399
local terms energy: -691.852650
where:
bonds (distance) C4'-P energy: -113.397
bonds (distance) P-C4' energy: -130.056
flat angles C4'-P-C4' energy: -151.538
flat angles P-C4'-P energy: -92.675
tors. eta vs tors. theta energy: -204.187
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: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2144.239221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.239221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.239221 (E_RNA)
where:
Base-Base interactions energy: -1472.955
where: short stacking energy: -597.500
Base-Backbone interact. energy: -0.715
local terms energy: -670.569345
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -143.187
flat angles C4'-P-C4' energy: -149.507
flat angles P-C4'-P energy: -94.025
tors. eta vs tors. theta energy: -163.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2093.999032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.999032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.999032 (E_RNA)
where:
Base-Base interactions energy: -1447.255
where: short stacking energy: -612.153
Base-Backbone interact. energy: -1.675
local terms energy: -645.068842
where:
bonds (distance) C4'-P energy: -113.666
bonds (distance) P-C4' energy: -124.783
flat angles C4'-P-C4' energy: -143.412
flat angles P-C4'-P energy: -87.532
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: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1910.898076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.898076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.898076 (E_RNA)
where:
Base-Base interactions energy: -1319.235
where: short stacking energy: -581.157
Base-Backbone interact. energy: -0.949
local terms energy: -590.714540
where:
bonds (distance) C4'-P energy: -123.645
bonds (distance) P-C4' energy: -114.544
flat angles C4'-P-C4' energy: -126.580
flat angles P-C4'-P energy: -86.531
tors. eta vs tors. theta energy: -139.415
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: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1712.285443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.285443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.285443 (E_RNA)
where:
Base-Base interactions energy: -1177.804
where: short stacking energy: -480.923
Base-Backbone interact. energy: -2.435
local terms energy: -532.045895
where:
bonds (distance) C4'-P energy: -104.882
bonds (distance) P-C4' energy: -114.815
flat angles C4'-P-C4' energy: -130.718
flat angles P-C4'-P energy: -59.952
tors. eta vs tors. theta energy: -121.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1536.015437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.015437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.015437 (E_RNA)
where:
Base-Base interactions energy: -996.579
where: short stacking energy: -444.327
Base-Backbone interact. energy: -3.105
local terms energy: -536.331349
where:
bonds (distance) C4'-P energy: -114.652
bonds (distance) P-C4' energy: -105.878
flat angles C4'-P-C4' energy: -123.655
flat angles P-C4'-P energy: -82.801
tors. eta vs tors. theta energy: -109.345
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: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1223.803268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.803268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.803268 (E_RNA)
where:
Base-Base interactions energy: -751.639
where: short stacking energy: -358.530
Base-Backbone interact. energy: 0.041
local terms energy: -472.205041
where:
bonds (distance) C4'-P energy: -114.851
bonds (distance) P-C4' energy: -115.539
flat angles C4'-P-C4' energy: -107.041
flat angles P-C4'-P energy: -56.461
tors. eta vs tors. theta energy: -78.313
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: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -861.533610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.533610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.533610 (E_RNA)
where:
Base-Base interactions energy: -491.388
where: short stacking energy: -242.178
Base-Backbone interact. energy: -1.070
local terms energy: -369.075754
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -109.704
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -52.494
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -635.671802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.671802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.671802 (E_RNA)
where:
Base-Base interactions energy: -275.726
where: short stacking energy: -169.743
Base-Backbone interact. energy: 9.321
local terms energy: -369.267253
where:
bonds (distance) C4'-P energy: -95.360
bonds (distance) P-C4' energy: -105.325
flat angles C4'-P-C4' energy: -111.469
flat angles P-C4'-P energy: -52.857
tors. eta vs tors. theta energy: -4.257
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: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2318.083182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.083182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.083182 (E_RNA)
where:
Base-Base interactions energy: -1618.468
where: short stacking energy: -659.741
Base-Backbone interact. energy: -4.760
local terms energy: -694.854917
where:
bonds (distance) C4'-P energy: -122.387
bonds (distance) P-C4' energy: -132.181
flat angles C4'-P-C4' energy: -154.102
flat angles P-C4'-P energy: -105.682
tors. eta vs tors. theta energy: -180.503
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: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2259.917875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.917875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.917875 (E_RNA)
where:
Base-Base interactions energy: -1573.223
where: short stacking energy: -696.556
Base-Backbone interact. energy: -3.581
local terms energy: -683.113918
where:
bonds (distance) C4'-P energy: -139.882
bonds (distance) P-C4' energy: -115.604
flat angles C4'-P-C4' energy: -145.530
flat angles P-C4'-P energy: -92.363
tors. eta vs tors. theta energy: -189.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2199.320017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.320017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.320017 (E_RNA)
where:
Base-Base interactions energy: -1542.174
where: short stacking energy: -632.004
Base-Backbone interact. energy: -2.301
local terms energy: -654.844627
where:
bonds (distance) C4'-P energy: -117.780
bonds (distance) P-C4' energy: -129.880
flat angles C4'-P-C4' energy: -145.151
flat angles P-C4'-P energy: -76.524
tors. eta vs tors. theta energy: -185.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2138.124546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.124546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.124546 (E_RNA)
where:
Base-Base interactions energy: -1470.299
where: short stacking energy: -638.459
Base-Backbone interact. energy: -4.333
local terms energy: -663.491985
where:
bonds (distance) C4'-P energy: -121.404
bonds (distance) P-C4' energy: -122.960
flat angles C4'-P-C4' energy: -143.521
flat angles P-C4'-P energy: -80.156
tors. eta vs tors. theta energy: -195.452
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: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1865.985468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.985468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.985468 (E_RNA)
where:
Base-Base interactions energy: -1281.848
where: short stacking energy: -548.143
Base-Backbone interact. energy: 4.625
local terms energy: -588.762737
where:
bonds (distance) C4'-P energy: -108.997
bonds (distance) P-C4' energy: -111.563
flat angles C4'-P-C4' energy: -132.678
flat angles P-C4'-P energy: -83.098
tors. eta vs tors. theta energy: -152.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1734.209838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.209838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.209838 (E_RNA)
where:
Base-Base interactions energy: -1164.475
where: short stacking energy: -510.909
Base-Backbone interact. energy: -3.856
local terms energy: -565.878116
where:
bonds (distance) C4'-P energy: -119.055
bonds (distance) P-C4' energy: -114.651
flat angles C4'-P-C4' energy: -114.950
flat angles P-C4'-P energy: -83.994
tors. eta vs tors. theta energy: -133.228
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: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1500.320025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.320025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.320025 (E_RNA)
where:
Base-Base interactions energy: -973.045
where: short stacking energy: -439.164
Base-Backbone interact. energy: -2.873
local terms energy: -524.402437
where:
bonds (distance) C4'-P energy: -109.305
bonds (distance) P-C4' energy: -118.427
flat angles C4'-P-C4' energy: -126.296
flat angles P-C4'-P energy: -74.450
tors. eta vs tors. theta energy: -95.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1232.747504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.747504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.747504 (E_RNA)
where:
Base-Base interactions energy: -768.763
where: short stacking energy: -390.806
Base-Backbone interact. energy: 0.735
local terms energy: -464.719370
where:
bonds (distance) C4'-P energy: -90.538
bonds (distance) P-C4' energy: -120.253
flat angles C4'-P-C4' energy: -113.628
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -70.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -887.697391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.697391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.697391 (E_RNA)
where:
Base-Base interactions energy: -499.626
where: short stacking energy: -233.208
Base-Backbone interact. energy: 1.387
local terms energy: -389.458569
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -109.252
flat angles C4'-P-C4' energy: -104.524
flat angles P-C4'-P energy: -68.329
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -653.340075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.340075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.340075 (E_RNA)
where:
Base-Base interactions energy: -324.469
where: short stacking energy: -197.701
Base-Backbone interact. energy: 1.995
local terms energy: -330.865506
where:
bonds (distance) C4'-P energy: -102.618
bonds (distance) P-C4' energy: -112.191
flat angles C4'-P-C4' energy: -90.726
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: 16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2344.631811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.631811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.631811 (E_RNA)
where:
Base-Base interactions energy: -1651.662
where: short stacking energy: -671.351
Base-Backbone interact. energy: -0.553
local terms energy: -692.417556
where:
bonds (distance) C4'-P energy: -114.941
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -147.738
flat angles P-C4'-P energy: -108.513
tors. eta vs tors. theta energy: -185.614
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2255.091750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.091750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.091750 (E_RNA)
where:
Base-Base interactions energy: -1544.117
where: short stacking energy: -689.012
Base-Backbone interact. energy: -4.738
local terms energy: -706.236721
where:
bonds (distance) C4'-P energy: -126.675
bonds (distance) P-C4' energy: -133.315
flat angles C4'-P-C4' energy: -144.908
flat angles P-C4'-P energy: -103.848
tors. eta vs tors. theta energy: -197.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2165.528641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.528641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.528641 (E_RNA)
where:
Base-Base interactions energy: -1504.288
where: short stacking energy: -621.906
Base-Backbone interact. energy: -4.660
local terms energy: -656.580702
where:
bonds (distance) C4'-P energy: -131.454
bonds (distance) P-C4' energy: -119.490
flat angles C4'-P-C4' energy: -137.658
flat angles P-C4'-P energy: -95.735
tors. eta vs tors. theta energy: -172.244
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: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2056.178136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.178136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.178136 (E_RNA)
where:
Base-Base interactions energy: -1411.379
where: short stacking energy: -622.887
Base-Backbone interact. energy: -3.625
local terms energy: -641.173834
where:
bonds (distance) C4'-P energy: -118.065
bonds (distance) P-C4' energy: -108.355
flat angles C4'-P-C4' energy: -144.100
flat angles P-C4'-P energy: -84.675
tors. eta vs tors. theta energy: -185.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1896.724312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.724312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.724312 (E_RNA)
where:
Base-Base interactions energy: -1295.290
where: short stacking energy: -534.575
Base-Backbone interact. energy: -1.398
local terms energy: -600.036330
where:
bonds (distance) C4'-P energy: -108.378
bonds (distance) P-C4' energy: -118.543
flat angles C4'-P-C4' energy: -141.866
flat angles P-C4'-P energy: -83.974
tors. eta vs tors. theta energy: -147.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1697.109147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.109147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.109147 (E_RNA)
where:
Base-Base interactions energy: -1095.883
where: short stacking energy: -484.656
Base-Backbone interact. energy: -0.573
local terms energy: -600.653467
where:
bonds (distance) C4'-P energy: -115.118
bonds (distance) P-C4' energy: -131.700
flat angles C4'-P-C4' energy: -132.988
flat angles P-C4'-P energy: -84.870
tors. eta vs tors. theta energy: -135.977
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: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1534.908648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.908648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.908648 (E_RNA)
where:
Base-Base interactions energy: -1045.799
where: short stacking energy: -437.609
Base-Backbone interact. energy: -3.766
local terms energy: -485.342710
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -102.835
flat angles C4'-P-C4' energy: -111.161
flat angles P-C4'-P energy: -71.494
tors. eta vs tors. theta energy: -107.547
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: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1141.394062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.394062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.394062 (E_RNA)
where:
Base-Base interactions energy: -684.044
where: short stacking energy: -319.004
Base-Backbone interact. energy: -1.644
local terms energy: -455.705913
where:
bonds (distance) C4'-P energy: -114.478
bonds (distance) P-C4' energy: -108.779
flat angles C4'-P-C4' energy: -132.781
flat angles P-C4'-P energy: -54.749
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -920.164085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.164085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.164085 (E_RNA)
where:
Base-Base interactions energy: -509.396
where: short stacking energy: -281.388
Base-Backbone interact. energy: -0.417
local terms energy: -410.351373
where:
bonds (distance) C4'-P energy: -118.933
bonds (distance) P-C4' energy: -125.313
flat angles C4'-P-C4' energy: -98.910
flat angles P-C4'-P energy: -44.043
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -635.761547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.761547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.761547 (E_RNA)
where:
Base-Base interactions energy: -302.597
where: short stacking energy: -184.569
Base-Backbone interact. energy: 6.209
local terms energy: -339.373388
where:
bonds (distance) C4'-P energy: -83.917
bonds (distance) P-C4' energy: -112.373
flat angles C4'-P-C4' energy: -82.645
flat angles P-C4'-P energy: -57.196
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2327.930269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.930269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.930269 (E_RNA)
where:
Base-Base interactions energy: -1626.975
where: short stacking energy: -654.833
Base-Backbone interact. energy: -5.589
local terms energy: -695.366425
where:
bonds (distance) C4'-P energy: -109.537
bonds (distance) P-C4' energy: -148.247
flat angles C4'-P-C4' energy: -150.811
flat angles P-C4'-P energy: -100.237
tors. eta vs tors. theta energy: -186.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2265.446360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.446360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.446360 (E_RNA)
where:
Base-Base interactions energy: -1587.668
where: short stacking energy: -681.735
Base-Backbone interact. energy: -1.743
local terms energy: -676.035974
where:
bonds (distance) C4'-P energy: -132.088
bonds (distance) P-C4' energy: -115.945
flat angles C4'-P-C4' energy: -141.743
flat angles P-C4'-P energy: -88.962
tors. eta vs tors. theta energy: -197.298
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: 365
Temperature: 1.000000
Total energy: -2184.179637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.179637 (E_RNA)
where:
Base-Base interactions energy: -1526.028
where: short stacking energy: -631.654
Base-Backbone interact. energy: -3.515
local terms energy: -654.637002
where:
bonds (distance) C4'-P energy: -114.247
bonds (distance) P-C4' energy: -98.327
flat angles C4'-P-C4' energy: -159.781
flat angles P-C4'-P energy: -94.835
tors. eta vs tors. theta energy: -187.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2075.880524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.880524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.880524 (E_RNA)
where:
Base-Base interactions energy: -1407.544
where: short stacking energy: -610.418
Base-Backbone interact. energy: -4.724
local terms energy: -663.613428
where:
bonds (distance) C4'-P energy: -119.753
bonds (distance) P-C4' energy: -132.960
flat angles C4'-P-C4' energy: -126.813
flat angles P-C4'-P energy: -106.938
tors. eta vs tors. theta energy: -177.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1892.733547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.733547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.733547 (E_RNA)
where:
Base-Base interactions energy: -1291.396
where: short stacking energy: -535.446
Base-Backbone interact. energy: -2.198
local terms energy: -599.139791
where:
bonds (distance) C4'-P energy: -111.192
bonds (distance) P-C4' energy: -126.704
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -85.414
tors. eta vs tors. theta energy: -145.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1708.409030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.409030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.409030 (E_RNA)
where:
Base-Base interactions energy: -1140.972
where: short stacking energy: -520.654
Base-Backbone interact. energy: -2.901
local terms energy: -564.535660
where:
bonds (distance) C4'-P energy: -113.418
bonds (distance) P-C4' energy: -118.185
flat angles C4'-P-C4' energy: -125.304
flat angles P-C4'-P energy: -83.602
tors. eta vs tors. theta energy: -124.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1628.735218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.735218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.735218 (E_RNA)
where:
Base-Base interactions energy: -1076.714
where: short stacking energy: -478.757
Base-Backbone interact. energy: -1.045
local terms energy: -550.975948
where:
bonds (distance) C4'-P energy: -130.174
bonds (distance) P-C4' energy: -103.266
flat angles C4'-P-C4' energy: -126.128
flat angles P-C4'-P energy: -53.452
tors. eta vs tors. theta energy: -137.956
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: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1213.774979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.774979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.774979 (E_RNA)
where:
Base-Base interactions energy: -768.407
where: short stacking energy: -363.335
Base-Backbone interact. energy: 8.085
local terms energy: -453.452696
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -130.381
flat angles C4'-P-C4' energy: -93.650
flat angles P-C4'-P energy: -72.469
tors. eta vs tors. theta energy: -62.783
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: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -906.284794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.284794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.284794 (E_RNA)
where:
Base-Base interactions energy: -483.551
where: short stacking energy: -251.425
Base-Backbone interact. energy: -1.632
local terms energy: -421.102051
where:
bonds (distance) C4'-P energy: -95.758
bonds (distance) P-C4' energy: -117.793
flat angles C4'-P-C4' energy: -115.087
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -27.276
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: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -630.594839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.594839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.594839 (E_RNA)
where:
Base-Base interactions energy: -284.659
where: short stacking energy: -176.196
Base-Backbone interact. energy: 7.230
local terms energy: -353.165537
where:
bonds (distance) C4'-P energy: -93.770
bonds (distance) P-C4' energy: -126.349
flat angles C4'-P-C4' energy: -97.858
flat angles P-C4'-P energy: -59.768
tors. eta vs tors. theta energy: 24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2274.452340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.452340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.452340 (E_RNA)
where:
Base-Base interactions energy: -1563.667
where: short stacking energy: -638.987
Base-Backbone interact. energy: -4.682
local terms energy: -706.103139
where:
bonds (distance) C4'-P energy: -124.457
bonds (distance) P-C4' energy: -143.242
flat angles C4'-P-C4' energy: -151.457
flat angles P-C4'-P energy: -109.898
tors. eta vs tors. theta energy: -177.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2245.811844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.811844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.811844 (E_RNA)
where:
Base-Base interactions energy: -1547.049
where: short stacking energy: -670.455
Base-Backbone interact. energy: -2.547
local terms energy: -696.215498
where:
bonds (distance) C4'-P energy: -131.199
bonds (distance) P-C4' energy: -141.287
flat angles C4'-P-C4' energy: -140.611
flat angles P-C4'-P energy: -93.592
tors. eta vs tors. theta energy: -189.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2144.255034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.255034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.255034 (E_RNA)
where:
Base-Base interactions energy: -1488.395
where: short stacking energy: -618.044
Base-Backbone interact. energy: 1.656
local terms energy: -657.516759
where:
bonds (distance) C4'-P energy: -115.255
bonds (distance) P-C4' energy: -134.556
flat angles C4'-P-C4' energy: -141.360
flat angles P-C4'-P energy: -93.050
tors. eta vs tors. theta energy: -173.296
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: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2086.115202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.115202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.115202 (E_RNA)
where:
Base-Base interactions energy: -1450.618
where: short stacking energy: -651.980
Base-Backbone interact. energy: 1.847
local terms energy: -637.343906
where:
bonds (distance) C4'-P energy: -112.479
bonds (distance) P-C4' energy: -120.325
flat angles C4'-P-C4' energy: -125.969
flat angles P-C4'-P energy: -92.939
tors. eta vs tors. theta energy: -185.633
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: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1897.409656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.409656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.409656 (E_RNA)
where:
Base-Base interactions energy: -1305.801
where: short stacking energy: -591.656
Base-Backbone interact. energy: 3.769
local terms energy: -595.377654
where:
bonds (distance) C4'-P energy: -111.980
bonds (distance) P-C4' energy: -107.103
flat angles C4'-P-C4' energy: -134.059
flat angles P-C4'-P energy: -86.174
tors. eta vs tors. theta energy: -156.061
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: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1719.722827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.722827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.722827 (E_RNA)
where:
Base-Base interactions energy: -1147.236
where: short stacking energy: -502.507
Base-Backbone interact. energy: -0.946
local terms energy: -571.540386
where:
bonds (distance) C4'-P energy: -122.061
bonds (distance) P-C4' energy: -111.372
flat angles C4'-P-C4' energy: -137.784
flat angles P-C4'-P energy: -87.938
tors. eta vs tors. theta energy: -112.386
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1611.189359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.189359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.189359 (E_RNA)
where:
Base-Base interactions energy: -1080.908
where: short stacking energy: -462.200
Base-Backbone interact. energy: -1.721
local terms energy: -528.559742
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -123.816
flat angles C4'-P-C4' energy: -117.993
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -124.777
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: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1263.331222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.331222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.331222 (E_RNA)
where:
Base-Base interactions energy: -776.997
where: short stacking energy: -344.634
Base-Backbone interact. energy: -1.180
local terms energy: -485.154533
where:
bonds (distance) C4'-P energy: -105.136
bonds (distance) P-C4' energy: -116.441
flat angles C4'-P-C4' energy: -113.468
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -72.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -864.994413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.994413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.994413 (E_RNA)
where:
Base-Base interactions energy: -475.909
where: short stacking energy: -276.447
Base-Backbone interact. energy: -1.905
local terms energy: -387.180177
where:
bonds (distance) C4'-P energy: -100.148
bonds (distance) P-C4' energy: -96.904
flat angles C4'-P-C4' energy: -108.001
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -19.292
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: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -639.060679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.060679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.060679 (E_RNA)
where:
Base-Base interactions energy: -291.690
where: short stacking energy: -181.864
Base-Backbone interact. energy: 1.198
local terms energy: -348.569351
where:
bonds (distance) C4'-P energy: -114.683
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -88.488
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: 7.157
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: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2283.585533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.585533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.585533 (E_RNA)
where:
Base-Base interactions energy: -1588.445
where: short stacking energy: -657.106
Base-Backbone interact. energy: -3.836
local terms energy: -691.304542
where:
bonds (distance) C4'-P energy: -128.192
bonds (distance) P-C4' energy: -124.705
flat angles C4'-P-C4' energy: -151.061
flat angles P-C4'-P energy: -105.855
tors. eta vs tors. theta energy: -181.491
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: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2232.794419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.794419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.794419 (E_RNA)
where:
Base-Base interactions energy: -1533.528
where: short stacking energy: -657.342
Base-Backbone interact. energy: -4.008
local terms energy: -695.258920
where:
bonds (distance) C4'-P energy: -130.805
bonds (distance) P-C4' energy: -134.975
flat angles C4'-P-C4' energy: -151.192
flat angles P-C4'-P energy: -95.989
tors. eta vs tors. theta energy: -182.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2155.296555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.296555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.296555 (E_RNA)
where:
Base-Base interactions energy: -1529.786
where: short stacking energy: -599.134
Base-Backbone interact. energy: 1.489
local terms energy: -626.999297
where:
bonds (distance) C4'-P energy: -108.094
bonds (distance) P-C4' energy: -116.677
flat angles C4'-P-C4' energy: -149.537
flat angles P-C4'-P energy: -89.394
tors. eta vs tors. theta energy: -163.297
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: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2055.476935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.476935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.476935 (E_RNA)
where:
Base-Base interactions energy: -1403.797
where: short stacking energy: -596.758
Base-Backbone interact. energy: -0.460
local terms energy: -651.219825
where:
bonds (distance) C4'-P energy: -120.210
bonds (distance) P-C4' energy: -120.826
flat angles C4'-P-C4' energy: -145.856
flat angles P-C4'-P energy: -101.226
tors. eta vs tors. theta energy: -163.101
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: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1853.357681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.357681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.357681 (E_RNA)
where:
Base-Base interactions energy: -1269.173
where: short stacking energy: -540.077
Base-Backbone interact. energy: -4.378
local terms energy: -579.806435
where:
bonds (distance) C4'-P energy: -118.381
bonds (distance) P-C4' energy: -113.488
flat angles C4'-P-C4' energy: -132.145
flat angles P-C4'-P energy: -72.981
tors. eta vs tors. theta energy: -142.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1737.342442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.342442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.342442 (E_RNA)
where:
Base-Base interactions energy: -1174.933
where: short stacking energy: -495.951
Base-Backbone interact. energy: -5.806
local terms energy: -556.602951
where:
bonds (distance) C4'-P energy: -101.647
bonds (distance) P-C4' energy: -127.084
flat angles C4'-P-C4' energy: -128.176
flat angles P-C4'-P energy: -85.703
tors. eta vs tors. theta energy: -113.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1632.351497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.351497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.351497 (E_RNA)
where:
Base-Base interactions energy: -1102.608
where: short stacking energy: -472.055
Base-Backbone interact. energy: -3.284
local terms energy: -526.458885
where:
bonds (distance) C4'-P energy: -116.807
bonds (distance) P-C4' energy: -119.099
flat angles C4'-P-C4' energy: -113.800
flat angles P-C4'-P energy: -55.372
tors. eta vs tors. theta energy: -121.381
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1319.757427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.757427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.757427 (E_RNA)
where:
Base-Base interactions energy: -828.275
where: short stacking energy: -372.506
Base-Backbone interact. energy: -3.052
local terms energy: -488.430211
where:
bonds (distance) C4'-P energy: -103.772
bonds (distance) P-C4' energy: -112.388
flat angles C4'-P-C4' energy: -126.497
flat angles P-C4'-P energy: -76.279
tors. eta vs tors. theta energy: -69.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -944.747457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.747457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.747457 (E_RNA)
where:
Base-Base interactions energy: -547.285
where: short stacking energy: -291.284
Base-Backbone interact. energy: 4.015
local terms energy: -401.478009
where:
bonds (distance) C4'-P energy: -94.347
bonds (distance) P-C4' energy: -121.195
flat angles C4'-P-C4' energy: -85.568
flat angles P-C4'-P energy: -72.601
tors. eta vs tors. theta energy: -27.767
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: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -598.540546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.540546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.540546 (E_RNA)
where:
Base-Base interactions energy: -237.057
where: short stacking energy: -144.050
Base-Backbone interact. energy: 2.452
local terms energy: -363.936129
where:
bonds (distance) C4'-P energy: -107.278
bonds (distance) P-C4' energy: -128.317
flat angles C4'-P-C4' energy: -85.521
flat angles P-C4'-P energy: -48.776
tors. eta vs tors. theta energy: 5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2310.424479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.424479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.424479 (E_RNA)
where:
Base-Base interactions energy: -1616.877
where: short stacking energy: -664.707
Base-Backbone interact. energy: -1.200
local terms energy: -692.347002
where:
bonds (distance) C4'-P energy: -118.348
bonds (distance) P-C4' energy: -142.292
flat angles C4'-P-C4' energy: -147.419
flat angles P-C4'-P energy: -96.330
tors. eta vs tors. theta energy: -187.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2233.910075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.910075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.910075 (E_RNA)
where:
Base-Base interactions energy: -1545.980
where: short stacking energy: -655.837
Base-Backbone interact. energy: -1.188
local terms energy: -686.742332
where:
bonds (distance) C4'-P energy: -121.435
bonds (distance) P-C4' energy: -127.765
flat angles C4'-P-C4' energy: -149.328
flat angles P-C4'-P energy: -100.424
tors. eta vs tors. theta energy: -187.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2155.487000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.487000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.487000 (E_RNA)
where:
Base-Base interactions energy: -1509.847
where: short stacking energy: -647.703
Base-Backbone interact. energy: -4.283
local terms energy: -641.357571
where:
bonds (distance) C4'-P energy: -121.045
bonds (distance) P-C4' energy: -124.275
flat angles C4'-P-C4' energy: -139.786
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -182.888
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: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2071.688554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.688554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.688554 (E_RNA)
where:
Base-Base interactions energy: -1424.525
where: short stacking energy: -615.253
Base-Backbone interact. energy: 1.992
local terms energy: -649.156358
where:
bonds (distance) C4'-P energy: -127.588
bonds (distance) P-C4' energy: -121.076
flat angles C4'-P-C4' energy: -142.547
flat angles P-C4'-P energy: -91.696
tors. eta vs tors. theta energy: -166.250
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: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1875.456200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.456200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.456200 (E_RNA)
where:
Base-Base interactions energy: -1281.784
where: short stacking energy: -557.840
Base-Backbone interact. energy: -0.888
local terms energy: -592.784674
where:
bonds (distance) C4'-P energy: -110.837
bonds (distance) P-C4' energy: -125.282
flat angles C4'-P-C4' energy: -124.933
flat angles P-C4'-P energy: -93.470
tors. eta vs tors. theta energy: -138.262
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: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1753.740071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.740071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.740071 (E_RNA)
where:
Base-Base interactions energy: -1203.997
where: short stacking energy: -539.891
Base-Backbone interact. energy: -0.307
local terms energy: -549.436361
where:
bonds (distance) C4'-P energy: -116.593
bonds (distance) P-C4' energy: -96.669
flat angles C4'-P-C4' energy: -122.770
flat angles P-C4'-P energy: -85.093
tors. eta vs tors. theta energy: -128.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1690.236481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.236481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.236481 (E_RNA)
where:
Base-Base interactions energy: -1150.730
where: short stacking energy: -497.032
Base-Backbone interact. energy: -2.316
local terms energy: -537.190978
where:
bonds (distance) C4'-P energy: -91.790
bonds (distance) P-C4' energy: -109.800
flat angles C4'-P-C4' energy: -120.557
flat angles P-C4'-P energy: -77.052
tors. eta vs tors. theta energy: -137.992
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: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1280.812778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.812778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.812778 (E_RNA)
where:
Base-Base interactions energy: -814.122
where: short stacking energy: -377.479
Base-Backbone interact. energy: 0.859
local terms energy: -467.549840
where:
bonds (distance) C4'-P energy: -106.835
bonds (distance) P-C4' energy: -97.368
flat angles C4'-P-C4' energy: -119.664
flat angles P-C4'-P energy: -82.733
tors. eta vs tors. theta energy: -60.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -895.000626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.000626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.000626 (E_RNA)
where:
Base-Base interactions energy: -519.677
where: short stacking energy: -244.146
Base-Backbone interact. energy: 5.986
local terms energy: -381.309994
where:
bonds (distance) C4'-P energy: -102.165
bonds (distance) P-C4' energy: -104.873
flat angles C4'-P-C4' energy: -93.010
flat angles P-C4'-P energy: -61.887
tors. eta vs tors. theta energy: -19.374
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: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -560.827924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.827924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.827924 (E_RNA)
where:
Base-Base interactions energy: -261.490
where: short stacking energy: -150.795
Base-Backbone interact. energy: 2.850
local terms energy: -302.187961
where:
bonds (distance) C4'-P energy: -105.372
bonds (distance) P-C4' energy: -105.885
flat angles C4'-P-C4' energy: -90.600
flat angles P-C4'-P energy: -34.049
tors. eta vs tors. theta energy: 33.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2310.240286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.240286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.240286 (E_RNA)
where:
Base-Base interactions energy: -1611.983
where: short stacking energy: -652.923
Base-Backbone interact. energy: -5.411
local terms energy: -692.846647
where:
bonds (distance) C4'-P energy: -122.639
bonds (distance) P-C4' energy: -136.656
flat angles C4'-P-C4' energy: -148.735
flat angles P-C4'-P energy: -106.886
tors. eta vs tors. theta energy: -177.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2228.977714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.977714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.977714 (E_RNA)
where:
Base-Base interactions energy: -1514.023
where: short stacking energy: -704.607
Base-Backbone interact. energy: -4.723
local terms energy: -710.231264
where:
bonds (distance) C4'-P energy: -123.006
bonds (distance) P-C4' energy: -131.518
flat angles C4'-P-C4' energy: -145.920
flat angles P-C4'-P energy: -107.891
tors. eta vs tors. theta energy: -201.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2197.531525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.531525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.531525 (E_RNA)
where:
Base-Base interactions energy: -1533.831
where: short stacking energy: -635.520
Base-Backbone interact. energy: 0.025
local terms energy: -663.725595
where:
bonds (distance) C4'-P energy: -122.315
bonds (distance) P-C4' energy: -117.238
flat angles C4'-P-C4' energy: -153.583
flat angles P-C4'-P energy: -93.216
tors. eta vs tors. theta energy: -177.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2051.742330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.742330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.742330 (E_RNA)
where:
Base-Base interactions energy: -1408.224
where: short stacking energy: -576.335
Base-Backbone interact. energy: 2.688
local terms energy: -646.206373
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -123.003
flat angles C4'-P-C4' energy: -148.176
flat angles P-C4'-P energy: -88.652
tors. eta vs tors. theta energy: -177.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1905.900228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.900228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.900228 (E_RNA)
where:
Base-Base interactions energy: -1293.039
where: short stacking energy: -543.876
Base-Backbone interact. energy: 4.035
local terms energy: -616.896321
where:
bonds (distance) C4'-P energy: -111.403
bonds (distance) P-C4' energy: -141.409
flat angles C4'-P-C4' energy: -139.559
flat angles P-C4'-P energy: -92.803
tors. eta vs tors. theta energy: -131.722
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: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1772.815582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.815582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.815582 (E_RNA)
where:
Base-Base interactions energy: -1213.386
where: short stacking energy: -509.973
Base-Backbone interact. energy: 2.068
local terms energy: -561.497999
where:
bonds (distance) C4'-P energy: -125.273
bonds (distance) P-C4' energy: -103.509
flat angles C4'-P-C4' energy: -121.748
flat angles P-C4'-P energy: -83.432
tors. eta vs tors. theta energy: -127.536
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: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1618.173692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.173692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.173692 (E_RNA)
where:
Base-Base interactions energy: -1055.075
where: short stacking energy: -474.969
Base-Backbone interact. energy: -0.662
local terms energy: -562.436087
where:
bonds (distance) C4'-P energy: -114.065
bonds (distance) P-C4' energy: -111.901
flat angles C4'-P-C4' energy: -134.401
flat angles P-C4'-P energy: -72.962
tors. eta vs tors. theta energy: -129.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1256.279447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.279447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.279447 (E_RNA)
where:
Base-Base interactions energy: -798.369
where: short stacking energy: -374.085
Base-Backbone interact. energy: -1.297
local terms energy: -456.613087
where:
bonds (distance) C4'-P energy: -99.002
bonds (distance) P-C4' energy: -112.468
flat angles C4'-P-C4' energy: -117.526
flat angles P-C4'-P energy: -55.168
tors. eta vs tors. theta energy: -72.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -966.659919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.659919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.659919 (E_RNA)
where:
Base-Base interactions energy: -537.594
where: short stacking energy: -264.484
Base-Backbone interact. energy: -2.699
local terms energy: -426.366807
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -127.782
flat angles C4'-P-C4' energy: -87.010
flat angles P-C4'-P energy: -71.861
tors. eta vs tors. theta energy: -40.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -580.175630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.175630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.175630 (E_RNA)
where:
Base-Base interactions energy: -211.561
where: short stacking energy: -162.677
Base-Backbone interact. energy: -1.317
local terms energy: -367.297691
where:
bonds (distance) C4'-P energy: -112.886
bonds (distance) P-C4' energy: -116.954
flat angles C4'-P-C4' energy: -106.775
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: 30.664
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: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2328.812278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.812278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.812278 (E_RNA)
where:
Base-Base interactions energy: -1639.381
where: short stacking energy: -658.469
Base-Backbone interact. energy: 0.000
local terms energy: -689.431053
where:
bonds (distance) C4'-P energy: -133.193
bonds (distance) P-C4' energy: -133.165
flat angles C4'-P-C4' energy: -156.889
flat angles P-C4'-P energy: -97.207
tors. eta vs tors. theta energy: -168.978
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: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2215.866743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.866743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.866743 (E_RNA)
where:
Base-Base interactions energy: -1506.847
where: short stacking energy: -682.028
Base-Backbone interact. energy: -2.987
local terms energy: -706.032242
where:
bonds (distance) C4'-P energy: -123.356
bonds (distance) P-C4' energy: -138.267
flat angles C4'-P-C4' energy: -146.986
flat angles P-C4'-P energy: -104.676
tors. eta vs tors. theta energy: -192.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2182.475611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.475611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.475611 (E_RNA)
where:
Base-Base interactions energy: -1521.957
where: short stacking energy: -618.823
Base-Backbone interact. energy: 0.524
local terms energy: -661.042302
where:
bonds (distance) C4'-P energy: -131.260
bonds (distance) P-C4' energy: -131.894
flat angles C4'-P-C4' energy: -125.402
flat angles P-C4'-P energy: -92.908
tors. eta vs tors. theta energy: -179.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2072.803620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.803620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.803620 (E_RNA)
where:
Base-Base interactions energy: -1435.827
where: short stacking energy: -616.626
Base-Backbone interact. energy: -0.105
local terms energy: -636.871611
where:
bonds (distance) C4'-P energy: -100.414
bonds (distance) P-C4' energy: -126.642
flat angles C4'-P-C4' energy: -141.509
flat angles P-C4'-P energy: -90.817
tors. eta vs tors. theta energy: -177.490
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: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1884.085897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.085897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.085897 (E_RNA)
where:
Base-Base interactions energy: -1293.715
where: short stacking energy: -540.865
Base-Backbone interact. energy: 0.344
local terms energy: -590.714678
where:
bonds (distance) C4'-P energy: -125.104
bonds (distance) P-C4' energy: -114.242
flat angles C4'-P-C4' energy: -133.937
flat angles P-C4'-P energy: -81.983
tors. eta vs tors. theta energy: -135.448
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: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1808.036352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.036352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.036352 (E_RNA)
where:
Base-Base interactions energy: -1225.180
where: short stacking energy: -545.731
Base-Backbone interact. energy: -3.437
local terms energy: -579.419950
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -119.778
flat angles C4'-P-C4' energy: -114.855
flat angles P-C4'-P energy: -83.969
tors. eta vs tors. theta energy: -143.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1688.291854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.291854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.291854 (E_RNA)
where:
Base-Base interactions energy: -1111.594
where: short stacking energy: -505.082
Base-Backbone interact. energy: -0.789
local terms energy: -575.908863
where:
bonds (distance) C4'-P energy: -131.513
bonds (distance) P-C4' energy: -111.709
flat angles C4'-P-C4' energy: -129.140
flat angles P-C4'-P energy: -72.144
tors. eta vs tors. theta energy: -131.403
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1217.520843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.520843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.520843 (E_RNA)
where:
Base-Base interactions energy: -757.718
where: short stacking energy: -351.640
Base-Backbone interact. energy: -2.456
local terms energy: -457.346755
where:
bonds (distance) C4'-P energy: -102.031
bonds (distance) P-C4' energy: -108.868
flat angles C4'-P-C4' energy: -121.949
flat angles P-C4'-P energy: -66.348
tors. eta vs tors. theta energy: -58.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -976.934424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.934424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.934424 (E_RNA)
where:
Base-Base interactions energy: -595.436
where: short stacking energy: -269.539
Base-Backbone interact. energy: 3.144
local terms energy: -384.642689
where:
bonds (distance) C4'-P energy: -89.748
bonds (distance) P-C4' energy: -106.378
flat angles C4'-P-C4' energy: -99.078
flat angles P-C4'-P energy: -54.807
tors. eta vs tors. theta energy: -34.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -619.091342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.091342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.091342 (E_RNA)
where:
Base-Base interactions energy: -294.442
where: short stacking energy: -164.843
Base-Backbone interact. energy: 0.271
local terms energy: -324.920122
where:
bonds (distance) C4'-P energy: -91.884
bonds (distance) P-C4' energy: -99.340
flat angles C4'-P-C4' energy: -96.515
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: 8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2262.064844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.064844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.064844 (E_RNA)
where:
Base-Base interactions energy: -1594.427
where: short stacking energy: -630.101
Base-Backbone interact. energy: -2.558
local terms energy: -665.079772
where:
bonds (distance) C4'-P energy: -127.234
bonds (distance) P-C4' energy: -131.804
flat angles C4'-P-C4' energy: -146.938
flat angles P-C4'-P energy: -97.165
tors. eta vs tors. theta energy: -161.939
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: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2231.017069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.017069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.017069 (E_RNA)
where:
Base-Base interactions energy: -1523.583
where: short stacking energy: -677.020
Base-Backbone interact. energy: -1.024
local terms energy: -706.410154
where:
bonds (distance) C4'-P energy: -125.232
bonds (distance) P-C4' energy: -126.263
flat angles C4'-P-C4' energy: -152.502
flat angles P-C4'-P energy: -100.201
tors. eta vs tors. theta energy: -202.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2156.497791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.497791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.497791 (E_RNA)
where:
Base-Base interactions energy: -1517.411
where: short stacking energy: -625.746
Base-Backbone interact. energy: -4.495
local terms energy: -634.591727
where:
bonds (distance) C4'-P energy: -113.416
bonds (distance) P-C4' energy: -130.234
flat angles C4'-P-C4' energy: -128.049
flat angles P-C4'-P energy: -88.588
tors. eta vs tors. theta energy: -174.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2072.261890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.261890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.261890 (E_RNA)
where:
Base-Base interactions energy: -1432.905
where: short stacking energy: -603.550
Base-Backbone interact. energy: 1.467
local terms energy: -640.823413
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -118.833
flat angles C4'-P-C4' energy: -132.535
flat angles P-C4'-P energy: -85.447
tors. eta vs tors. theta energy: -172.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1887.500678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.500678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.500678 (E_RNA)
where:
Base-Base interactions energy: -1275.281
where: short stacking energy: -549.811
Base-Backbone interact. energy: -2.996
local terms energy: -609.223659
where:
bonds (distance) C4'-P energy: -118.153
bonds (distance) P-C4' energy: -118.548
flat angles C4'-P-C4' energy: -146.929
flat angles P-C4'-P energy: -78.629
tors. eta vs tors. theta energy: -146.964
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1736.552418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.552418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.552418 (E_RNA)
where:
Base-Base interactions energy: -1188.724
where: short stacking energy: -510.238
Base-Backbone interact. energy: -1.737
local terms energy: -546.091552
where:
bonds (distance) C4'-P energy: -120.056
bonds (distance) P-C4' energy: -117.259
flat angles C4'-P-C4' energy: -118.818
flat angles P-C4'-P energy: -61.060
tors. eta vs tors. theta energy: -128.899
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: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1614.767768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.767768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.767768 (E_RNA)
where:
Base-Base interactions energy: -1063.529
where: short stacking energy: -449.533
Base-Backbone interact. energy: -2.313
local terms energy: -548.926300
where:
bonds (distance) C4'-P energy: -115.128
bonds (distance) P-C4' energy: -115.462
flat angles C4'-P-C4' energy: -130.853
flat angles P-C4'-P energy: -76.671
tors. eta vs tors. theta energy: -110.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1218.649978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.649978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.649978 (E_RNA)
where:
Base-Base interactions energy: -764.493
where: short stacking energy: -386.064
Base-Backbone interact. energy: -2.213
local terms energy: -451.944033
where:
bonds (distance) C4'-P energy: -102.060
bonds (distance) P-C4' energy: -78.597
flat angles C4'-P-C4' energy: -117.017
flat angles P-C4'-P energy: -84.265
tors. eta vs tors. theta energy: -70.005
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: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -913.704219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.704219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.704219 (E_RNA)
where:
Base-Base interactions energy: -521.561
where: short stacking energy: -268.708
Base-Backbone interact. energy: 2.087
local terms energy: -394.230838
where:
bonds (distance) C4'-P energy: -108.532
bonds (distance) P-C4' energy: -101.557
flat angles C4'-P-C4' energy: -103.901
flat angles P-C4'-P energy: -53.326
tors. eta vs tors. theta energy: -26.915
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -672.636123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.636123 (E_RNA)
where:
Base-Base interactions energy: -317.583
where: short stacking energy: -196.680
Base-Backbone interact. energy: -2.128
local terms energy: -352.924974
where:
bonds (distance) C4'-P energy: -85.668
bonds (distance) P-C4' energy: -111.815
flat angles C4'-P-C4' energy: -103.800
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -6.835
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: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2296.860329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.860329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.860329 (E_RNA)
where:
Base-Base interactions energy: -1599.633
where: short stacking energy: -656.851
Base-Backbone interact. energy: -4.375
local terms energy: -692.851527
where:
bonds (distance) C4'-P energy: -140.158
bonds (distance) P-C4' energy: -135.021
flat angles C4'-P-C4' energy: -143.556
flat angles P-C4'-P energy: -91.504
tors. eta vs tors. theta energy: -182.613
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: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2200.428174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.428174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.428174 (E_RNA)
where:
Base-Base interactions energy: -1495.685
where: short stacking energy: -664.306
Base-Backbone interact. energy: 0.073
local terms energy: -704.816577
where:
bonds (distance) C4'-P energy: -138.010
bonds (distance) P-C4' energy: -125.830
flat angles C4'-P-C4' energy: -146.551
flat angles P-C4'-P energy: -99.789
tors. eta vs tors. theta energy: -194.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2179.450059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.450059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.450059 (E_RNA)
where:
Base-Base interactions energy: -1508.607
where: short stacking energy: -622.286
Base-Backbone interact. energy: -2.398
local terms energy: -668.445186
where:
bonds (distance) C4'-P energy: -117.675
bonds (distance) P-C4' energy: -141.594
flat angles C4'-P-C4' energy: -134.474
flat angles P-C4'-P energy: -97.705
tors. eta vs tors. theta energy: -176.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2051.863398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.863398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.863398 (E_RNA)
where:
Base-Base interactions energy: -1424.205
where: short stacking energy: -610.697
Base-Backbone interact. energy: 4.641
local terms energy: -632.299521
where:
bonds (distance) C4'-P energy: -113.334
bonds (distance) P-C4' energy: -130.967
flat angles C4'-P-C4' energy: -133.559
flat angles P-C4'-P energy: -83.074
tors. eta vs tors. theta energy: -171.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1914.425271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.425271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.425271 (E_RNA)
where:
Base-Base interactions energy: -1302.521
where: short stacking energy: -545.976
Base-Backbone interact. energy: 0.512
local terms energy: -612.416141
where:
bonds (distance) C4'-P energy: -110.035
bonds (distance) P-C4' energy: -134.219
flat angles C4'-P-C4' energy: -145.290
flat angles P-C4'-P energy: -79.588
tors. eta vs tors. theta energy: -143.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1747.761543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.761543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.761543 (E_RNA)
where:
Base-Base interactions energy: -1171.944
where: short stacking energy: -492.357
Base-Backbone interact. energy: -4.103
local terms energy: -571.714435
where:
bonds (distance) C4'-P energy: -122.902
bonds (distance) P-C4' energy: -114.955
flat angles C4'-P-C4' energy: -131.936
flat angles P-C4'-P energy: -75.548
tors. eta vs tors. theta energy: -126.373
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: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1694.479649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.479649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.479649 (E_RNA)
where:
Base-Base interactions energy: -1153.080
where: short stacking energy: -491.397
Base-Backbone interact. energy: -1.531
local terms energy: -539.869191
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -111.102
flat angles C4'-P-C4' energy: -137.922
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -126.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1206.595127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.595127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.595127 (E_RNA)
where:
Base-Base interactions energy: -762.983
where: short stacking energy: -344.277
Base-Backbone interact. energy: -3.657
local terms energy: -439.955172
where:
bonds (distance) C4'-P energy: -105.802
bonds (distance) P-C4' energy: -102.712
flat angles C4'-P-C4' energy: -102.074
flat angles P-C4'-P energy: -76.296
tors. eta vs tors. theta energy: -53.071
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: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -927.659655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.659655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.659655 (E_RNA)
where:
Base-Base interactions energy: -528.849
where: short stacking energy: -266.349
Base-Backbone interact. energy: 2.893
local terms energy: -401.702960
where:
bonds (distance) C4'-P energy: -101.726
bonds (distance) P-C4' energy: -112.411
flat angles C4'-P-C4' energy: -87.890
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -25.137
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: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -658.516925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.516925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.516925 (E_RNA)
where:
Base-Base interactions energy: -282.512
where: short stacking energy: -172.719
Base-Backbone interact. energy: -2.706
local terms energy: -373.298635
where:
bonds (distance) C4'-P energy: -119.313
bonds (distance) P-C4' energy: -104.769
flat angles C4'-P-C4' energy: -103.035
flat angles P-C4'-P energy: -54.051
tors. eta vs tors. theta energy: 7.869
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: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2303.113531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.113531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.113531 (E_RNA)
where:
Base-Base interactions energy: -1606.261
where: short stacking energy: -638.738
Base-Backbone interact. energy: 0.524
local terms energy: -697.376266
where:
bonds (distance) C4'-P energy: -137.994
bonds (distance) P-C4' energy: -132.984
flat angles C4'-P-C4' energy: -145.716
flat angles P-C4'-P energy: -100.521
tors. eta vs tors. theta energy: -180.162
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: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2208.252572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.252572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.252572 (E_RNA)
where:
Base-Base interactions energy: -1484.259
where: short stacking energy: -661.927
Base-Backbone interact. energy: -0.228
local terms energy: -723.765603
where:
bonds (distance) C4'-P energy: -142.942
bonds (distance) P-C4' energy: -137.564
flat angles C4'-P-C4' energy: -143.224
flat angles P-C4'-P energy: -99.154
tors. eta vs tors. theta energy: -200.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2163.115812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.115812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.115812 (E_RNA)
where:
Base-Base interactions energy: -1521.619
where: short stacking energy: -606.565
Base-Backbone interact. energy: -2.372
local terms energy: -639.125146
where:
bonds (distance) C4'-P energy: -119.864
bonds (distance) P-C4' energy: -115.194
flat angles C4'-P-C4' energy: -150.079
flat angles P-C4'-P energy: -78.602
tors. eta vs tors. theta energy: -175.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2044.459974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.459974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.459974 (E_RNA)
where:
Base-Base interactions energy: -1399.156
where: short stacking energy: -590.571
Base-Backbone interact. energy: 1.831
local terms energy: -647.134364
where:
bonds (distance) C4'-P energy: -131.935
bonds (distance) P-C4' energy: -127.249
flat angles C4'-P-C4' energy: -142.401
flat angles P-C4'-P energy: -71.049
tors. eta vs tors. theta energy: -174.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1904.348842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.348842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.348842 (E_RNA)
where:
Base-Base interactions energy: -1293.812
where: short stacking energy: -559.994
Base-Backbone interact. energy: -2.178
local terms energy: -608.358821
where:
bonds (distance) C4'-P energy: -104.588
bonds (distance) P-C4' energy: -125.349
flat angles C4'-P-C4' energy: -133.696
flat angles P-C4'-P energy: -87.642
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: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1780.814336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.814336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.814336 (E_RNA)
where:
Base-Base interactions energy: -1202.770
where: short stacking energy: -520.874
Base-Backbone interact. energy: 2.217
local terms energy: -580.261613
where:
bonds (distance) C4'-P energy: -123.199
bonds (distance) P-C4' energy: -104.069
flat angles C4'-P-C4' energy: -117.715
flat angles P-C4'-P energy: -93.914
tors. eta vs tors. theta energy: -141.365
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: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1694.290898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.290898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.290898 (E_RNA)
where:
Base-Base interactions energy: -1132.555
where: short stacking energy: -465.212
Base-Backbone interact. energy: -1.987
local terms energy: -559.748594
where:
bonds (distance) C4'-P energy: -111.891
bonds (distance) P-C4' energy: -115.398
flat angles C4'-P-C4' energy: -136.270
flat angles P-C4'-P energy: -77.111
tors. eta vs tors. theta energy: -119.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1233.569503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.569503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.569503 (E_RNA)
where:
Base-Base interactions energy: -758.054
where: short stacking energy: -343.407
Base-Backbone interact. energy: 0.393
local terms energy: -475.908321
where:
bonds (distance) C4'-P energy: -114.822
bonds (distance) P-C4' energy: -117.605
flat angles C4'-P-C4' energy: -114.401
flat angles P-C4'-P energy: -59.206
tors. eta vs tors. theta energy: -69.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -985.108695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.108695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.108695 (E_RNA)
where:
Base-Base interactions energy: -564.287
where: short stacking energy: -280.513
Base-Backbone interact. energy: -4.067
local terms energy: -416.755493
where:
bonds (distance) C4'-P energy: -113.033
bonds (distance) P-C4' energy: -103.343
flat angles C4'-P-C4' energy: -102.825
flat angles P-C4'-P energy: -69.444
tors. eta vs tors. theta energy: -28.111
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: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -662.090529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.090529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.090529 (E_RNA)
where:
Base-Base interactions energy: -319.694
where: short stacking energy: -164.532
Base-Backbone interact. energy: 1.154
local terms energy: -343.549700
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -121.024
flat angles C4'-P-C4' energy: -89.365
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: 31.965
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: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2306.965181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.965181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.965181 (E_RNA)
where:
Base-Base interactions energy: -1604.510
where: short stacking energy: -646.849
Base-Backbone interact. energy: -3.085
local terms energy: -699.371098
where:
bonds (distance) C4'-P energy: -122.360
bonds (distance) P-C4' energy: -130.431
flat angles C4'-P-C4' energy: -155.710
flat angles P-C4'-P energy: -101.517
tors. eta vs tors. theta energy: -189.354
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2227.528431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.528431 (E_RNA)
where:
Base-Base interactions energy: -1536.743
where: short stacking energy: -665.410
Base-Backbone interact. energy: -1.848
local terms energy: -688.937742
where:
bonds (distance) C4'-P energy: -132.851
bonds (distance) P-C4' energy: -128.540
flat angles C4'-P-C4' energy: -132.477
flat angles P-C4'-P energy: -102.086
tors. eta vs tors. theta energy: -192.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2158.752735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.752735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.752735 (E_RNA)
where:
Base-Base interactions energy: -1490.000
where: short stacking energy: -608.609
Base-Backbone interact. energy: 1.535
local terms energy: -670.287227
where:
bonds (distance) C4'-P energy: -129.405
bonds (distance) P-C4' energy: -129.102
flat angles C4'-P-C4' energy: -150.292
flat angles P-C4'-P energy: -92.812
tors. eta vs tors. theta energy: -168.676
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: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2049.638097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.638097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.638097 (E_RNA)
where:
Base-Base interactions energy: -1404.721
where: short stacking energy: -612.706
Base-Backbone interact. energy: -2.931
local terms energy: -641.985467
where:
bonds (distance) C4'-P energy: -113.269
bonds (distance) P-C4' energy: -124.941
flat angles C4'-P-C4' energy: -137.646
flat angles P-C4'-P energy: -86.228
tors. eta vs tors. theta energy: -179.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1874.032812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.032812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.032812 (E_RNA)
where:
Base-Base interactions energy: -1302.074
where: short stacking energy: -553.007
Base-Backbone interact. energy: -1.905
local terms energy: -570.053499
where:
bonds (distance) C4'-P energy: -111.457
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -124.475
flat angles P-C4'-P energy: -68.696
tors. eta vs tors. theta energy: -154.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1783.173067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.173067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.173067 (E_RNA)
where:
Base-Base interactions energy: -1226.199
where: short stacking energy: -537.508
Base-Backbone interact. energy: -3.342
local terms energy: -553.631439
where:
bonds (distance) C4'-P energy: -108.272
bonds (distance) P-C4' energy: -101.199
flat angles C4'-P-C4' energy: -122.399
flat angles P-C4'-P energy: -77.013
tors. eta vs tors. theta energy: -144.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1612.824108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.824108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.824108 (E_RNA)
where:
Base-Base interactions energy: -1028.589
where: short stacking energy: -459.076
Base-Backbone interact. energy: -0.791
local terms energy: -583.444124
where:
bonds (distance) C4'-P energy: -130.026
bonds (distance) P-C4' energy: -123.188
flat angles C4'-P-C4' energy: -123.177
flat angles P-C4'-P energy: -83.376
tors. eta vs tors. theta energy: -123.676
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1197.556509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.556509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.556509 (E_RNA)
where:
Base-Base interactions energy: -750.082
where: short stacking energy: -353.073
Base-Backbone interact. energy: 0.240
local terms energy: -447.714694
where:
bonds (distance) C4'-P energy: -97.148
bonds (distance) P-C4' energy: -119.926
flat angles C4'-P-C4' energy: -105.270
flat angles P-C4'-P energy: -61.077
tors. eta vs tors. theta energy: -64.293
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -966.073669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.073669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.073669 (E_RNA)
where:
Base-Base interactions energy: -571.738
where: short stacking energy: -290.906
Base-Backbone interact. energy: 6.295
local terms energy: -400.631202
where:
bonds (distance) C4'-P energy: -103.393
bonds (distance) P-C4' energy: -105.030
flat angles C4'-P-C4' energy: -97.763
flat angles P-C4'-P energy: -43.743
tors. eta vs tors. theta energy: -50.702
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: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -666.883912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.883912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.883912 (E_RNA)
where:
Base-Base interactions energy: -307.620
where: short stacking energy: -205.133
Base-Backbone interact. energy: 1.745
local terms energy: -361.009175
where:
bonds (distance) C4'-P energy: -94.720
bonds (distance) P-C4' energy: -117.416
flat angles C4'-P-C4' energy: -80.987
flat angles P-C4'-P energy: -65.723
tors. eta vs tors. theta energy: -2.163
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: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2294.386861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.386861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.386861 (E_RNA)
where:
Base-Base interactions energy: -1608.768
where: short stacking energy: -662.365
Base-Backbone interact. energy: -3.419
local terms energy: -682.199617
where:
bonds (distance) C4'-P energy: -125.537
bonds (distance) P-C4' energy: -135.538
flat angles C4'-P-C4' energy: -147.362
flat angles P-C4'-P energy: -94.983
tors. eta vs tors. theta energy: -178.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2204.844081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.844081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.844081 (E_RNA)
where:
Base-Base interactions energy: -1500.924
where: short stacking energy: -669.376
Base-Backbone interact. energy: -6.067
local terms energy: -697.852444
where:
bonds (distance) C4'-P energy: -133.643
bonds (distance) P-C4' energy: -140.708
flat angles C4'-P-C4' energy: -141.698
flat angles P-C4'-P energy: -97.336
tors. eta vs tors. theta energy: -184.468
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: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2195.510603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.510603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.510603 (E_RNA)
where:
Base-Base interactions energy: -1523.098
where: short stacking energy: -605.985
Base-Backbone interact. energy: 1.366
local terms energy: -673.777987
where:
bonds (distance) C4'-P energy: -123.523
bonds (distance) P-C4' energy: -132.874
flat angles C4'-P-C4' energy: -145.644
flat angles P-C4'-P energy: -101.780
tors. eta vs tors. theta energy: -169.958
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: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2044.055053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.055053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.055053 (E_RNA)
where:
Base-Base interactions energy: -1388.930
where: short stacking energy: -615.682
Base-Backbone interact. energy: -2.706
local terms energy: -652.418254
where:
bonds (distance) C4'-P energy: -117.519
bonds (distance) P-C4' energy: -120.301
flat angles C4'-P-C4' energy: -140.983
flat angles P-C4'-P energy: -88.872
tors. eta vs tors. theta energy: -184.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1909.689211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.689211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.689211 (E_RNA)
where:
Base-Base interactions energy: -1324.277
where: short stacking energy: -537.930
Base-Backbone interact. energy: -1.429
local terms energy: -583.983069
where:
bonds (distance) C4'-P energy: -114.950
bonds (distance) P-C4' energy: -123.207
flat angles C4'-P-C4' energy: -140.894
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -132.028
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: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1783.060047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.060047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.060047 (E_RNA)
where:
Base-Base interactions energy: -1194.536
where: short stacking energy: -524.430
Base-Backbone interact. energy: -2.798
local terms energy: -585.725517
where:
bonds (distance) C4'-P energy: -136.427
bonds (distance) P-C4' energy: -106.199
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -80.707
tors. eta vs tors. theta energy: -135.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1576.474533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.474533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.474533 (E_RNA)
where:
Base-Base interactions energy: -1024.839
where: short stacking energy: -451.441
Base-Backbone interact. energy: -3.168
local terms energy: -548.466753
where:
bonds (distance) C4'-P energy: -110.985
bonds (distance) P-C4' energy: -116.530
flat angles C4'-P-C4' energy: -125.187
flat angles P-C4'-P energy: -74.911
tors. eta vs tors. theta energy: -120.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1222.754912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.754912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.754912 (E_RNA)
where:
Base-Base interactions energy: -738.330
where: short stacking energy: -331.004
Base-Backbone interact. energy: -2.283
local terms energy: -482.141783
where:
bonds (distance) C4'-P energy: -117.959
bonds (distance) P-C4' energy: -124.429
flat angles C4'-P-C4' energy: -111.098
flat angles P-C4'-P energy: -60.951
tors. eta vs tors. theta energy: -67.705
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: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -933.342241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.342241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.342241 (E_RNA)
where:
Base-Base interactions energy: -501.915
where: short stacking energy: -243.004
Base-Backbone interact. energy: -5.287
local terms energy: -426.140370
where:
bonds (distance) C4'-P energy: -108.666
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -104.462
flat angles P-C4'-P energy: -73.589
tors. eta vs tors. theta energy: -31.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -642.405751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.405751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.405751 (E_RNA)
where:
Base-Base interactions energy: -306.131
where: short stacking energy: -178.762
Base-Backbone interact. energy: -0.454
local terms energy: -335.820197
where:
bonds (distance) C4'-P energy: -96.210
bonds (distance) P-C4' energy: -105.900
flat angles C4'-P-C4' energy: -93.656
flat angles P-C4'-P energy: -66.666
tors. eta vs tors. theta energy: 26.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2303.864068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.864068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.864068 (E_RNA)
where:
Base-Base interactions energy: -1600.939
where: short stacking energy: -648.630
Base-Backbone interact. energy: -4.022
local terms energy: -698.902960
where:
bonds (distance) C4'-P energy: -132.938
bonds (distance) P-C4' energy: -127.644
flat angles C4'-P-C4' energy: -142.557
flat angles P-C4'-P energy: -108.103
tors. eta vs tors. theta energy: -187.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2204.465185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.465185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.465185 (E_RNA)
where:
Base-Base interactions energy: -1520.425
where: short stacking energy: -679.092
Base-Backbone interact. energy: -0.303
local terms energy: -683.736986
where:
bonds (distance) C4'-P energy: -122.585
bonds (distance) P-C4' energy: -134.131
flat angles C4'-P-C4' energy: -139.866
flat angles P-C4'-P energy: -104.189
tors. eta vs tors. theta energy: -182.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2193.123045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.123045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.123045 (E_RNA)
where:
Base-Base interactions energy: -1512.425
where: short stacking energy: -627.762
Base-Backbone interact. energy: -2.983
local terms energy: -677.714587
where:
bonds (distance) C4'-P energy: -134.081
bonds (distance) P-C4' energy: -111.415
flat angles C4'-P-C4' energy: -145.117
flat angles P-C4'-P energy: -106.005
tors. eta vs tors. theta energy: -181.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2005.970195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.970195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.970195 (E_RNA)
where:
Base-Base interactions energy: -1386.497
where: short stacking energy: -594.335
Base-Backbone interact. energy: -3.045
local terms energy: -616.428158
where:
bonds (distance) C4'-P energy: -111.460
bonds (distance) P-C4' energy: -115.521
flat angles C4'-P-C4' energy: -141.245
flat angles P-C4'-P energy: -79.257
tors. eta vs tors. theta energy: -168.946
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: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1875.309165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.309165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.309165 (E_RNA)
where:
Base-Base interactions energy: -1294.134
where: short stacking energy: -572.515
Base-Backbone interact. energy: -0.233
local terms energy: -580.941830
where:
bonds (distance) C4'-P energy: -118.097
bonds (distance) P-C4' energy: -109.256
flat angles C4'-P-C4' energy: -109.238
flat angles P-C4'-P energy: -86.904
tors. eta vs tors. theta energy: -157.446
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: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1733.138386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.138386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.138386 (E_RNA)
where:
Base-Base interactions energy: -1174.108
where: short stacking energy: -523.985
Base-Backbone interact. energy: -0.443
local terms energy: -558.587771
where:
bonds (distance) C4'-P energy: -100.215
bonds (distance) P-C4' energy: -119.543
flat angles C4'-P-C4' energy: -123.584
flat angles P-C4'-P energy: -86.906
tors. eta vs tors. theta energy: -128.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1573.423685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.423685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.423685 (E_RNA)
where:
Base-Base interactions energy: -1026.303
where: short stacking energy: -438.512
Base-Backbone interact. energy: -1.731
local terms energy: -545.390472
where:
bonds (distance) C4'-P energy: -103.328
bonds (distance) P-C4' energy: -122.311
flat angles C4'-P-C4' energy: -124.474
flat angles P-C4'-P energy: -70.812
tors. eta vs tors. theta energy: -124.465
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1175.633261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.633261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.633261 (E_RNA)
where:
Base-Base interactions energy: -708.914
where: short stacking energy: -347.532
Base-Backbone interact. energy: -2.160
local terms energy: -464.559489
where:
bonds (distance) C4'-P energy: -103.263
bonds (distance) P-C4' energy: -119.767
flat angles C4'-P-C4' energy: -104.450
flat angles P-C4'-P energy: -68.963
tors. eta vs tors. theta energy: -68.116
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: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -946.195121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.195121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.195121 (E_RNA)
where:
Base-Base interactions energy: -546.914
where: short stacking energy: -257.849
Base-Backbone interact. energy: 0.783
local terms energy: -400.064469
where:
bonds (distance) C4'-P energy: -101.645
bonds (distance) P-C4' energy: -96.937
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -70.357
tors. eta vs tors. theta energy: -34.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -684.194085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.194085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.194085 (E_RNA)
where:
Base-Base interactions energy: -321.130
where: short stacking energy: -215.699
Base-Backbone interact. energy: -2.011
local terms energy: -361.052960
where:
bonds (distance) C4'-P energy: -94.737
bonds (distance) P-C4' energy: -96.498
flat angles C4'-P-C4' energy: -95.356
flat angles P-C4'-P energy: -55.763
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2284.007418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.007418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.007418 (E_RNA)
where:
Base-Base interactions energy: -1570.831
where: short stacking energy: -648.658
Base-Backbone interact. energy: -7.906
local terms energy: -705.270824
where:
bonds (distance) C4'-P energy: -128.655
bonds (distance) P-C4' energy: -137.380
flat angles C4'-P-C4' energy: -153.997
flat angles P-C4'-P energy: -105.599
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: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2234.811128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.811128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.811128 (E_RNA)
where:
Base-Base interactions energy: -1547.416
where: short stacking energy: -660.699
Base-Backbone interact. energy: -3.579
local terms energy: -683.815663
where:
bonds (distance) C4'-P energy: -116.985
bonds (distance) P-C4' energy: -140.822
flat angles C4'-P-C4' energy: -148.763
flat angles P-C4'-P energy: -91.413
tors. eta vs tors. theta energy: -185.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2171.593780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.593780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.593780 (E_RNA)
where:
Base-Base interactions energy: -1526.125
where: short stacking energy: -627.619
Base-Backbone interact. energy: -2.922
local terms energy: -642.547080
where:
bonds (distance) C4'-P energy: -126.137
bonds (distance) P-C4' energy: -116.736
flat angles C4'-P-C4' energy: -146.834
flat angles P-C4'-P energy: -76.725
tors. eta vs tors. theta energy: -176.114
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2007.340636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.340636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.340636 (E_RNA)
where:
Base-Base interactions energy: -1359.484
where: short stacking energy: -579.882
Base-Backbone interact. energy: 2.736
local terms energy: -650.591989
where:
bonds (distance) C4'-P energy: -114.884
bonds (distance) P-C4' energy: -123.439
flat angles C4'-P-C4' energy: -143.460
flat angles P-C4'-P energy: -95.145
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: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1855.607553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.607553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.607553 (E_RNA)
where:
Base-Base interactions energy: -1254.907
where: short stacking energy: -522.601
Base-Backbone interact. energy: -3.686
local terms energy: -597.014786
where:
bonds (distance) C4'-P energy: -115.834
bonds (distance) P-C4' energy: -119.133
flat angles C4'-P-C4' energy: -139.291
flat angles P-C4'-P energy: -82.799
tors. eta vs tors. theta energy: -139.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1736.711946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.711946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.711946 (E_RNA)
where:
Base-Base interactions energy: -1186.878
where: short stacking energy: -492.182
Base-Backbone interact. energy: -0.977
local terms energy: -548.857024
where:
bonds (distance) C4'-P energy: -120.837
bonds (distance) P-C4' energy: -106.720
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -82.223
tors. eta vs tors. theta energy: -120.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1604.536190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.536190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.536190 (E_RNA)
where:
Base-Base interactions energy: -1054.385
where: short stacking energy: -455.298
Base-Backbone interact. energy: -4.491
local terms energy: -545.659983
where:
bonds (distance) C4'-P energy: -103.218
bonds (distance) P-C4' energy: -123.307
flat angles C4'-P-C4' energy: -120.292
flat angles P-C4'-P energy: -72.133
tors. eta vs tors. theta energy: -126.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1190.264244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.264244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.264244 (E_RNA)
where:
Base-Base interactions energy: -720.494
where: short stacking energy: -363.980
Base-Backbone interact. energy: -2.777
local terms energy: -466.992890
where:
bonds (distance) C4'-P energy: -100.833
bonds (distance) P-C4' energy: -109.536
flat angles C4'-P-C4' energy: -103.674
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -73.424
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: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -984.040457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.040457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.040457 (E_RNA)
where:
Base-Base interactions energy: -572.412
where: short stacking energy: -296.707
Base-Backbone interact. energy: 1.363
local terms energy: -412.991885
where:
bonds (distance) C4'-P energy: -90.249
bonds (distance) P-C4' energy: -113.656
flat angles C4'-P-C4' energy: -116.175
flat angles P-C4'-P energy: -51.805
tors. eta vs tors. theta energy: -41.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -677.412908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.412908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.412908 (E_RNA)
where:
Base-Base interactions energy: -353.855
where: short stacking energy: -195.818
Base-Backbone interact. energy: 1.725
local terms energy: -325.283520
where:
bonds (distance) C4'-P energy: -88.713
bonds (distance) P-C4' energy: -114.498
flat angles C4'-P-C4' energy: -67.145
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2277.074851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.074851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.074851 (E_RNA)
where:
Base-Base interactions energy: -1537.881
where: short stacking energy: -686.698
Base-Backbone interact. energy: -1.345
local terms energy: -737.849124
where:
bonds (distance) C4'-P energy: -125.286
bonds (distance) P-C4' energy: -142.350
flat angles C4'-P-C4' energy: -157.761
flat angles P-C4'-P energy: -107.830
tors. eta vs tors. theta energy: -204.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2233.696147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.696147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.696147 (E_RNA)
where:
Base-Base interactions energy: -1532.736
where: short stacking energy: -625.571
Base-Backbone interact. energy: 2.550
local terms energy: -703.509608
where:
bonds (distance) C4'-P energy: -129.543
bonds (distance) P-C4' energy: -146.153
flat angles C4'-P-C4' energy: -139.614
flat angles P-C4'-P energy: -108.124
tors. eta vs tors. theta energy: -180.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2171.373346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.373346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.373346 (E_RNA)
where:
Base-Base interactions energy: -1510.189
where: short stacking energy: -622.191
Base-Backbone interact. energy: -1.231
local terms energy: -659.953780
where:
bonds (distance) C4'-P energy: -114.919
bonds (distance) P-C4' energy: -131.504
flat angles C4'-P-C4' energy: -137.534
flat angles P-C4'-P energy: -102.535
tors. eta vs tors. theta energy: -173.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2014.104651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.104651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.104651 (E_RNA)
where:
Base-Base interactions energy: -1385.342
where: short stacking energy: -582.120
Base-Backbone interact. energy: 3.780
local terms energy: -632.542621
where:
bonds (distance) C4'-P energy: -120.389
bonds (distance) P-C4' energy: -130.916
flat angles C4'-P-C4' energy: -130.246
flat angles P-C4'-P energy: -78.240
tors. eta vs tors. theta energy: -172.752
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: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1896.032607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.032607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.032607 (E_RNA)
where:
Base-Base interactions energy: -1330.571
where: short stacking energy: -542.242
Base-Backbone interact. energy: -6.729
local terms energy: -558.732169
where:
bonds (distance) C4'-P energy: -106.622
bonds (distance) P-C4' energy: -109.706
flat angles C4'-P-C4' energy: -120.291
flat angles P-C4'-P energy: -84.786
tors. eta vs tors. theta energy: -137.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1723.587441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.587441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.587441 (E_RNA)
where:
Base-Base interactions energy: -1172.610
where: short stacking energy: -511.535
Base-Backbone interact. energy: 1.682
local terms energy: -552.659576
where:
bonds (distance) C4'-P energy: -122.949
bonds (distance) P-C4' energy: -112.235
flat angles C4'-P-C4' energy: -111.172
flat angles P-C4'-P energy: -85.105
tors. eta vs tors. theta energy: -121.198
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: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1598.526465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.526465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.526465 (E_RNA)
where:
Base-Base interactions energy: -1059.533
where: short stacking energy: -457.392
Base-Backbone interact. energy: -2.256
local terms energy: -536.736821
where:
bonds (distance) C4'-P energy: -108.107
bonds (distance) P-C4' energy: -132.064
flat angles C4'-P-C4' energy: -112.478
flat angles P-C4'-P energy: -63.022
tors. eta vs tors. theta energy: -121.066
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: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1191.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.655441 (E_RNA)
where:
Base-Base interactions energy: -749.740
where: short stacking energy: -373.400
Base-Backbone interact. energy: 0.570
local terms energy: -442.485999
where:
bonds (distance) C4'-P energy: -94.744
bonds (distance) P-C4' energy: -108.729
flat angles C4'-P-C4' energy: -100.812
flat angles P-C4'-P energy: -58.019
tors. eta vs tors. theta energy: -80.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -977.609537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.609537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.609537 (E_RNA)
where:
Base-Base interactions energy: -582.135
where: short stacking energy: -266.954
Base-Backbone interact. energy: 2.355
local terms energy: -397.829396
where:
bonds (distance) C4'-P energy: -94.247
bonds (distance) P-C4' energy: -98.123
flat angles C4'-P-C4' energy: -111.708
flat angles P-C4'-P energy: -69.498
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -623.220452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.220452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.220452 (E_RNA)
where:
Base-Base interactions energy: -299.042
where: short stacking energy: -175.478
Base-Backbone interact. energy: -2.504
local terms energy: -321.675224
where:
bonds (distance) C4'-P energy: -105.299
bonds (distance) P-C4' energy: -113.308
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: 22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2274.386700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.386700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.386700 (E_RNA)
where:
Base-Base interactions energy: -1578.036
where: short stacking energy: -693.429
Base-Backbone interact. energy: 0.039
local terms energy: -696.390314
where:
bonds (distance) C4'-P energy: -123.928
bonds (distance) P-C4' energy: -138.926
flat angles C4'-P-C4' energy: -144.270
flat angles P-C4'-P energy: -92.645
tors. eta vs tors. theta energy: -196.621
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2248.795110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.795110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.795110 (E_RNA)
where:
Base-Base interactions energy: -1576.723
where: short stacking energy: -639.596
Base-Backbone interact. energy: -3.934
local terms energy: -668.138091
where:
bonds (distance) C4'-P energy: -108.221
bonds (distance) P-C4' energy: -132.734
flat angles C4'-P-C4' energy: -145.365
flat angles P-C4'-P energy: -103.017
tors. eta vs tors. theta energy: -178.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2151.792969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.792969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.792969 (E_RNA)
where:
Base-Base interactions energy: -1492.663
where: short stacking energy: -619.059
Base-Backbone interact. energy: -4.425
local terms energy: -654.705316
where:
bonds (distance) C4'-P energy: -111.166
bonds (distance) P-C4' energy: -128.506
flat angles C4'-P-C4' energy: -146.661
flat angles P-C4'-P energy: -97.716
tors. eta vs tors. theta energy: -170.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2030.915340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.915340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.915340 (E_RNA)
where:
Base-Base interactions energy: -1410.744
where: short stacking energy: -593.206
Base-Backbone interact. energy: 3.318
local terms energy: -623.489679
where:
bonds (distance) C4'-P energy: -116.896
bonds (distance) P-C4' energy: -130.285
flat angles C4'-P-C4' energy: -133.514
flat angles P-C4'-P energy: -80.267
tors. eta vs tors. theta energy: -162.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1889.350708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.350708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.350708 (E_RNA)
where:
Base-Base interactions energy: -1293.964
where: short stacking energy: -543.613
Base-Backbone interact. energy: -2.430
local terms energy: -592.956504
where:
bonds (distance) C4'-P energy: -116.557
bonds (distance) P-C4' energy: -122.888
flat angles C4'-P-C4' energy: -131.862
flat angles P-C4'-P energy: -80.945
tors. eta vs tors. theta energy: -140.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1795.281372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.281372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.281372 (E_RNA)
where:
Base-Base interactions energy: -1214.338
where: short stacking energy: -519.578
Base-Backbone interact. energy: -2.060
local terms energy: -578.883584
where:
bonds (distance) C4'-P energy: -118.067
bonds (distance) P-C4' energy: -106.935
flat angles C4'-P-C4' energy: -136.605
flat angles P-C4'-P energy: -85.660
tors. eta vs tors. theta energy: -131.616
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1642.984780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.984780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.984780 (E_RNA)
where:
Base-Base interactions energy: -1107.690
where: short stacking energy: -475.132
Base-Backbone interact. energy: -3.689
local terms energy: -531.605898
where:
bonds (distance) C4'-P energy: -108.811
bonds (distance) P-C4' energy: -96.591
flat angles C4'-P-C4' energy: -108.137
flat angles P-C4'-P energy: -88.502
tors. eta vs tors. theta energy: -129.565
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: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1138.702200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.702200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.702200 (E_RNA)
where:
Base-Base interactions energy: -717.761
where: short stacking energy: -359.589
Base-Backbone interact. energy: -1.463
local terms energy: -419.478551
where:
bonds (distance) C4'-P energy: -91.397
bonds (distance) P-C4' energy: -106.202
flat angles C4'-P-C4' energy: -112.172
flat angles P-C4'-P energy: -41.289
tors. eta vs tors. theta energy: -68.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -988.787771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.787771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.787771 (E_RNA)
where:
Base-Base interactions energy: -577.996
where: short stacking energy: -291.821
Base-Backbone interact. energy: 0.472
local terms energy: -411.263281
where:
bonds (distance) C4'-P energy: -103.370
bonds (distance) P-C4' energy: -106.879
flat angles C4'-P-C4' energy: -95.085
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -49.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -626.417664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.417664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.417664 (E_RNA)
where:
Base-Base interactions energy: -273.794
where: short stacking energy: -192.785
Base-Backbone interact. energy: 1.200
local terms energy: -353.823832
where:
bonds (distance) C4'-P energy: -108.708
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -89.379
flat angles P-C4'-P energy: -56.170
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: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2278.166097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.166097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.166097 (E_RNA)
where:
Base-Base interactions energy: -1535.779
where: short stacking energy: -691.128
Base-Backbone interact. energy: -2.053
local terms energy: -740.334009
where:
bonds (distance) C4'-P energy: -137.786
bonds (distance) P-C4' energy: -138.117
flat angles C4'-P-C4' energy: -158.982
flat angles P-C4'-P energy: -108.161
tors. eta vs tors. theta energy: -197.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2232.859436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.859436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.859436 (E_RNA)
where:
Base-Base interactions energy: -1564.718
where: short stacking energy: -635.250
Base-Backbone interact. energy: -1.714
local terms energy: -666.427249
where:
bonds (distance) C4'-P energy: -122.586
bonds (distance) P-C4' energy: -131.426
flat angles C4'-P-C4' energy: -146.430
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -175.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2122.214389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.214389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.214389 (E_RNA)
where:
Base-Base interactions energy: -1457.160
where: short stacking energy: -589.598
Base-Backbone interact. energy: -0.754
local terms energy: -664.301053
where:
bonds (distance) C4'-P energy: -125.059
bonds (distance) P-C4' energy: -130.726
flat angles C4'-P-C4' energy: -147.928
flat angles P-C4'-P energy: -99.057
tors. eta vs tors. theta energy: -161.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2070.592185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.592185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.592185 (E_RNA)
where:
Base-Base interactions energy: -1434.678
where: short stacking energy: -625.632
Base-Backbone interact. energy: 2.146
local terms energy: -638.060144
where:
bonds (distance) C4'-P energy: -99.347
bonds (distance) P-C4' energy: -132.284
flat angles C4'-P-C4' energy: -140.918
flat angles P-C4'-P energy: -85.241
tors. eta vs tors. theta energy: -180.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1936.425455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.425455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.425455 (E_RNA)
where:
Base-Base interactions energy: -1326.409
where: short stacking energy: -580.934
Base-Backbone interact. energy: -0.334
local terms energy: -609.682598
where:
bonds (distance) C4'-P energy: -125.972
bonds (distance) P-C4' energy: -109.609
flat angles C4'-P-C4' energy: -145.897
flat angles P-C4'-P energy: -71.410
tors. eta vs tors. theta energy: -156.795
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1824.356082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.356082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.356082 (E_RNA)
where:
Base-Base interactions energy: -1257.379
where: short stacking energy: -515.955
Base-Backbone interact. energy: -3.712
local terms energy: -563.265604
where:
bonds (distance) C4'-P energy: -111.900
bonds (distance) P-C4' energy: -114.099
flat angles C4'-P-C4' energy: -137.014
flat angles P-C4'-P energy: -65.250
tors. eta vs tors. theta energy: -135.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1541.029089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.029089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.029089 (E_RNA)
where:
Base-Base interactions energy: -1027.484
where: short stacking energy: -474.775
Base-Backbone interact. energy: -1.331
local terms energy: -512.214019
where:
bonds (distance) C4'-P energy: -99.503
bonds (distance) P-C4' energy: -107.614
flat angles C4'-P-C4' energy: -105.054
flat angles P-C4'-P energy: -88.851
tors. eta vs tors. theta energy: -111.192
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: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1182.586514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.586514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.586514 (E_RNA)
where:
Base-Base interactions energy: -698.015
where: short stacking energy: -328.709
Base-Backbone interact. energy: -1.326
local terms energy: -483.245661
where:
bonds (distance) C4'-P energy: -116.513
bonds (distance) P-C4' energy: -100.512
flat angles C4'-P-C4' energy: -117.331
flat angles P-C4'-P energy: -80.667
tors. eta vs tors. theta energy: -68.222
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: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1075.549485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.549485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.549485 (E_RNA)
where:
Base-Base interactions energy: -679.606
where: short stacking energy: -324.806
Base-Backbone interact. energy: -2.588
local terms energy: -393.355352
where:
bonds (distance) C4'-P energy: -103.717
bonds (distance) P-C4' energy: -92.223
flat angles C4'-P-C4' energy: -97.006
flat angles P-C4'-P energy: -55.473
tors. eta vs tors. theta energy: -44.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -661.150143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.150143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.150143 (E_RNA)
where:
Base-Base interactions energy: -308.782
where: short stacking energy: -198.607
Base-Backbone interact. energy: 5.992
local terms energy: -358.360768
where:
bonds (distance) C4'-P energy: -112.504
bonds (distance) P-C4' energy: -112.859
flat angles C4'-P-C4' energy: -102.839
flat angles P-C4'-P energy: -45.083
tors. eta vs tors. theta energy: 14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2293.540770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.540770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.540770 (E_RNA)
where:
Base-Base interactions energy: -1567.267
where: short stacking energy: -702.110
Base-Backbone interact. energy: -7.825
local terms energy: -718.448830
where:
bonds (distance) C4'-P energy: -140.463
bonds (distance) P-C4' energy: -135.506
flat angles C4'-P-C4' energy: -148.838
flat angles P-C4'-P energy: -101.305
tors. eta vs tors. theta energy: -192.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2260.955677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.955677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.955677 (E_RNA)
where:
Base-Base interactions energy: -1579.110
where: short stacking energy: -646.895
Base-Backbone interact. energy: 0.486
local terms energy: -682.331290
where:
bonds (distance) C4'-P energy: -126.130
bonds (distance) P-C4' energy: -141.864
flat angles C4'-P-C4' energy: -136.969
flat angles P-C4'-P energy: -99.312
tors. eta vs tors. theta energy: -178.056
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2172.974692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.974692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.974692 (E_RNA)
where:
Base-Base interactions energy: -1526.641
where: short stacking energy: -624.660
Base-Backbone interact. energy: -0.284
local terms energy: -646.049702
where:
bonds (distance) C4'-P energy: -114.102
bonds (distance) P-C4' energy: -129.441
flat angles C4'-P-C4' energy: -140.346
flat angles P-C4'-P energy: -85.942
tors. eta vs tors. theta energy: -176.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2026.520205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.520205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.520205 (E_RNA)
where:
Base-Base interactions energy: -1414.143
where: short stacking energy: -615.370
Base-Backbone interact. energy: -1.991
local terms energy: -610.386238
where:
bonds (distance) C4'-P energy: -130.251
bonds (distance) P-C4' energy: -111.493
flat angles C4'-P-C4' energy: -120.770
flat angles P-C4'-P energy: -86.409
tors. eta vs tors. theta energy: -161.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1912.405481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.405481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.405481 (E_RNA)
where:
Base-Base interactions energy: -1303.221
where: short stacking energy: -516.063
Base-Backbone interact. energy: 4.487
local terms energy: -613.671957
where:
bonds (distance) C4'-P energy: -131.400
bonds (distance) P-C4' energy: -122.001
flat angles C4'-P-C4' energy: -128.249
flat angles P-C4'-P energy: -86.462
tors. eta vs tors. theta energy: -145.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1818.823020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.823020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.823020 (E_RNA)
where:
Base-Base interactions energy: -1231.397
where: short stacking energy: -524.939
Base-Backbone interact. energy: -1.271
local terms energy: -586.155323
where:
bonds (distance) C4'-P energy: -114.532
bonds (distance) P-C4' energy: -115.686
flat angles C4'-P-C4' energy: -139.538
flat angles P-C4'-P energy: -80.798
tors. eta vs tors. theta energy: -135.601
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: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1510.149916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.149916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.149916 (E_RNA)
where:
Base-Base interactions energy: -1004.531
where: short stacking energy: -425.730
Base-Backbone interact. energy: -2.705
local terms energy: -502.914074
where:
bonds (distance) C4'-P energy: -113.244
bonds (distance) P-C4' energy: -96.214
flat angles C4'-P-C4' energy: -111.597
flat angles P-C4'-P energy: -79.462
tors. eta vs tors. theta energy: -102.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1174.963194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.963194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.963194 (E_RNA)
where:
Base-Base interactions energy: -698.537
where: short stacking energy: -326.650
Base-Backbone interact. energy: 2.091
local terms energy: -478.516818
where:
bonds (distance) C4'-P energy: -113.478
bonds (distance) P-C4' energy: -129.341
flat angles C4'-P-C4' energy: -114.474
flat angles P-C4'-P energy: -62.544
tors. eta vs tors. theta energy: -58.681
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: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1047.227155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.227155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.227155 (E_RNA)
where:
Base-Base interactions energy: -628.048
where: short stacking energy: -309.786
Base-Backbone interact. energy: -1.591
local terms energy: -417.588115
where:
bonds (distance) C4'-P energy: -95.622
bonds (distance) P-C4' energy: -108.121
flat angles C4'-P-C4' energy: -99.559
flat angles P-C4'-P energy: -60.574
tors. eta vs tors. theta energy: -53.712
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: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -647.813123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.813123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.813123 (E_RNA)
where:
Base-Base interactions energy: -281.218
where: short stacking energy: -197.033
Base-Backbone interact. energy: 3.501
local terms energy: -370.095404
where:
bonds (distance) C4'-P energy: -103.061
bonds (distance) P-C4' energy: -120.330
flat angles C4'-P-C4' energy: -90.943
flat angles P-C4'-P energy: -62.217
tors. eta vs tors. theta energy: 6.456
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: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2283.736062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.736062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.736062 (E_RNA)
where:
Base-Base interactions energy: -1581.987
where: short stacking energy: -721.261
Base-Backbone interact. energy: -3.153
local terms energy: -698.596172
where:
bonds (distance) C4'-P energy: -118.357
bonds (distance) P-C4' energy: -137.332
flat angles C4'-P-C4' energy: -147.558
flat angles P-C4'-P energy: -100.598
tors. eta vs tors. theta energy: -194.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2251.929632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.929632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.929632 (E_RNA)
where:
Base-Base interactions energy: -1583.136
where: short stacking energy: -661.798
Base-Backbone interact. energy: -1.641
local terms energy: -667.153440
where:
bonds (distance) C4'-P energy: -112.914
bonds (distance) P-C4' energy: -121.180
flat angles C4'-P-C4' energy: -148.488
flat angles P-C4'-P energy: -107.132
tors. eta vs tors. theta energy: -177.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2147.161763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.161763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.161763 (E_RNA)
where:
Base-Base interactions energy: -1513.303
where: short stacking energy: -595.128
Base-Backbone interact. energy: 2.269
local terms energy: -636.127055
where:
bonds (distance) C4'-P energy: -113.488
bonds (distance) P-C4' energy: -123.979
flat angles C4'-P-C4' energy: -139.156
flat angles P-C4'-P energy: -87.103
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: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2040.232287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.232287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.232287 (E_RNA)
where:
Base-Base interactions energy: -1431.330
where: short stacking energy: -599.296
Base-Backbone interact. energy: 0.459
local terms energy: -609.361542
where:
bonds (distance) C4'-P energy: -116.198
bonds (distance) P-C4' energy: -128.900
flat angles C4'-P-C4' energy: -126.674
flat angles P-C4'-P energy: -73.822
tors. eta vs tors. theta energy: -163.767
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: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1892.203838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.203838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.203838 (E_RNA)
where:
Base-Base interactions energy: -1334.769
where: short stacking energy: -561.195
Base-Backbone interact. energy: -3.654
local terms energy: -553.781020
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -104.870
flat angles C4'-P-C4' energy: -129.217
flat angles P-C4'-P energy: -71.187
tors. eta vs tors. theta energy: -140.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1820.238856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.238856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.238856 (E_RNA)
where:
Base-Base interactions energy: -1258.157
where: short stacking energy: -521.631
Base-Backbone interact. energy: 1.405
local terms energy: -563.487034
where:
bonds (distance) C4'-P energy: -118.313
bonds (distance) P-C4' energy: -109.188
flat angles C4'-P-C4' energy: -126.310
flat angles P-C4'-P energy: -71.341
tors. eta vs tors. theta energy: -138.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1506.241464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.241464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.241464 (E_RNA)
where:
Base-Base interactions energy: -995.899
where: short stacking energy: -450.259
Base-Backbone interact. energy: -0.511
local terms energy: -509.831887
where:
bonds (distance) C4'-P energy: -96.273
bonds (distance) P-C4' energy: -110.991
flat angles C4'-P-C4' energy: -119.165
flat angles P-C4'-P energy: -70.430
tors. eta vs tors. theta energy: -112.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1189.810839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.810839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.810839 (E_RNA)
where:
Base-Base interactions energy: -736.678
where: short stacking energy: -347.761
Base-Backbone interact. energy: 6.196
local terms energy: -459.329243
where:
bonds (distance) C4'-P energy: -106.365
bonds (distance) P-C4' energy: -103.962
flat angles C4'-P-C4' energy: -112.108
flat angles P-C4'-P energy: -71.412
tors. eta vs tors. theta energy: -65.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -999.177692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.177692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.177692 (E_RNA)
where:
Base-Base interactions energy: -575.051
where: short stacking energy: -285.345
Base-Backbone interact. energy: 1.591
local terms energy: -425.717738
where:
bonds (distance) C4'-P energy: -104.859
bonds (distance) P-C4' energy: -97.598
flat angles C4'-P-C4' energy: -118.775
flat angles P-C4'-P energy: -65.969
tors. eta vs tors. theta energy: -38.516
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: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -724.746978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.746978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.746978 (E_RNA)
where:
Base-Base interactions energy: -352.863
where: short stacking energy: -245.883
Base-Backbone interact. energy: 3.474
local terms energy: -375.357860
where:
bonds (distance) C4'-P energy: -103.312
bonds (distance) P-C4' energy: -114.424
flat angles C4'-P-C4' energy: -93.891
flat angles P-C4'-P energy: -59.746
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2258.323891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.323891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.323891 (E_RNA)
where:
Base-Base interactions energy: -1543.346
where: short stacking energy: -690.219
Base-Backbone interact. energy: 1.510
local terms energy: -716.487964
where:
bonds (distance) C4'-P energy: -138.852
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -147.545
flat angles P-C4'-P energy: -107.548
tors. eta vs tors. theta energy: -196.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2225.028279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.028279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.028279 (E_RNA)
where:
Base-Base interactions energy: -1549.830
where: short stacking energy: -636.450
Base-Backbone interact. energy: -3.082
local terms energy: -672.116000
where:
bonds (distance) C4'-P energy: -124.792
bonds (distance) P-C4' energy: -129.726
flat angles C4'-P-C4' energy: -139.283
flat angles P-C4'-P energy: -105.247
tors. eta vs tors. theta energy: -173.068
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: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2128.631840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.631840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.631840 (E_RNA)
where:
Base-Base interactions energy: -1476.095
where: short stacking energy: -590.132
Base-Backbone interact. energy: 0.523
local terms energy: -653.059992
where:
bonds (distance) C4'-P energy: -138.570
bonds (distance) P-C4' energy: -122.009
flat angles C4'-P-C4' energy: -128.615
flat angles P-C4'-P energy: -94.199
tors. eta vs tors. theta energy: -169.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2025.116442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.116442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.116442 (E_RNA)
where:
Base-Base interactions energy: -1384.662
where: short stacking energy: -569.213
Base-Backbone interact. energy: -1.175
local terms energy: -639.279563
where:
bonds (distance) C4'-P energy: -127.706
bonds (distance) P-C4' energy: -111.936
flat angles C4'-P-C4' energy: -125.002
flat angles P-C4'-P energy: -110.782
tors. eta vs tors. theta energy: -163.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1885.469997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.469997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.469997 (E_RNA)
where:
Base-Base interactions energy: -1304.285
where: short stacking energy: -559.580
Base-Backbone interact. energy: -0.175
local terms energy: -581.010690
where:
bonds (distance) C4'-P energy: -114.578
bonds (distance) P-C4' energy: -120.180
flat angles C4'-P-C4' energy: -129.159
flat angles P-C4'-P energy: -76.952
tors. eta vs tors. theta energy: -140.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1767.741468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.741468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.741468 (E_RNA)
where:
Base-Base interactions energy: -1188.371
where: short stacking energy: -514.624
Base-Backbone interact. energy: 0.519
local terms energy: -579.889731
where:
bonds (distance) C4'-P energy: -116.032
bonds (distance) P-C4' energy: -125.938
flat angles C4'-P-C4' energy: -129.298
flat angles P-C4'-P energy: -81.501
tors. eta vs tors. theta energy: -127.120
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: 383
Temperature: 1.200000
Total energy: -1510.284928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.284928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.284928 (E_RNA)
where:
Base-Base interactions energy: -987.408
where: short stacking energy: -431.983
Base-Backbone interact. energy: 1.351
local terms energy: -524.228471
where:
bonds (distance) C4'-P energy: -108.109
bonds (distance) P-C4' energy: -118.270
flat angles C4'-P-C4' energy: -115.130
flat angles P-C4'-P energy: -75.699
tors. eta vs tors. theta energy: -107.021
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: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1141.645310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.645310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.645310 (E_RNA)
where:
Base-Base interactions energy: -685.350
where: short stacking energy: -326.019
Base-Backbone interact. energy: 1.827
local terms energy: -458.121774
where:
bonds (distance) C4'-P energy: -107.665
bonds (distance) P-C4' energy: -114.353
flat angles C4'-P-C4' energy: -123.424
flat angles P-C4'-P energy: -61.477
tors. eta vs tors. theta energy: -51.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1075.887510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.887510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.887510 (E_RNA)
where:
Base-Base interactions energy: -635.742
where: short stacking energy: -302.958
Base-Backbone interact. energy: -0.912
local terms energy: -439.232828
where:
bonds (distance) C4'-P energy: -93.788
bonds (distance) P-C4' energy: -121.330
flat angles C4'-P-C4' energy: -109.016
flat angles P-C4'-P energy: -68.374
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -641.270614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.270614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.270614 (E_RNA)
where:
Base-Base interactions energy: -298.165
where: short stacking energy: -215.479
Base-Backbone interact. energy: -3.154
local terms energy: -339.952426
where:
bonds (distance) C4'-P energy: -98.441
bonds (distance) P-C4' energy: -100.023
flat angles C4'-P-C4' energy: -85.595
flat angles P-C4'-P energy: -61.875
tors. eta vs tors. theta energy: 5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2272.416601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.416601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.416601 (E_RNA)
where:
Base-Base interactions energy: -1587.181
where: short stacking energy: -675.237
Base-Backbone interact. energy: 3.897
local terms energy: -689.132591
where:
bonds (distance) C4'-P energy: -123.636
bonds (distance) P-C4' energy: -125.192
flat angles C4'-P-C4' energy: -148.477
flat angles P-C4'-P energy: -106.273
tors. eta vs tors. theta energy: -185.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2223.081978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.081978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.081978 (E_RNA)
where:
Base-Base interactions energy: -1524.115
where: short stacking energy: -667.008
Base-Backbone interact. energy: -3.457
local terms energy: -695.510721
where:
bonds (distance) C4'-P energy: -119.191
bonds (distance) P-C4' energy: -138.265
flat angles C4'-P-C4' energy: -143.211
flat angles P-C4'-P energy: -100.205
tors. eta vs tors. theta energy: -194.639
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: 384
Temperature: 1.000000
Total energy: -2171.596705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.596705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.596705 (E_RNA)
where:
Base-Base interactions energy: -1538.747
where: short stacking energy: -619.656
Base-Backbone interact. energy: -2.218
local terms energy: -630.631308
where:
bonds (distance) C4'-P energy: -107.838
bonds (distance) P-C4' energy: -124.163
flat angles C4'-P-C4' energy: -136.072
flat angles P-C4'-P energy: -96.779
tors. eta vs tors. theta energy: -165.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2068.407168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.407168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.407168 (E_RNA)
where:
Base-Base interactions energy: -1404.745
where: short stacking energy: -621.819
Base-Backbone interact. energy: -0.699
local terms energy: -662.963506
where:
bonds (distance) C4'-P energy: -113.462
bonds (distance) P-C4' energy: -129.894
flat angles C4'-P-C4' energy: -139.505
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -180.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1837.169305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.169305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.169305 (E_RNA)
where:
Base-Base interactions energy: -1271.822
where: short stacking energy: -547.364
Base-Backbone interact. energy: -4.567
local terms energy: -560.779784
where:
bonds (distance) C4'-P energy: -86.835
bonds (distance) P-C4' energy: -129.027
flat angles C4'-P-C4' energy: -129.721
flat angles P-C4'-P energy: -80.798
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: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1834.349430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.349430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.349430 (E_RNA)
where:
Base-Base interactions energy: -1277.132
where: short stacking energy: -523.552
Base-Backbone interact. energy: -3.207
local terms energy: -554.009837
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -114.684
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -66.802
tors. eta vs tors. theta energy: -139.718
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1505.863582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.863582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.863582 (E_RNA)
where:
Base-Base interactions energy: -989.291
where: short stacking energy: -440.293
Base-Backbone interact. energy: 2.920
local terms energy: -519.492721
where:
bonds (distance) C4'-P energy: -101.221
bonds (distance) P-C4' energy: -124.406
flat angles C4'-P-C4' energy: -121.268
flat angles P-C4'-P energy: -79.113
tors. eta vs tors. theta energy: -93.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1142.672229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.672229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.672229 (E_RNA)
where:
Base-Base interactions energy: -705.484
where: short stacking energy: -334.409
Base-Backbone interact. energy: -0.525
local terms energy: -436.663623
where:
bonds (distance) C4'-P energy: -111.591
bonds (distance) P-C4' energy: -102.972
flat angles C4'-P-C4' energy: -115.290
flat angles P-C4'-P energy: -37.747
tors. eta vs tors. theta energy: -69.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1068.067899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.067899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.067899 (E_RNA)
where:
Base-Base interactions energy: -646.675
where: short stacking energy: -316.943
Base-Backbone interact. energy: -2.956
local terms energy: -418.436093
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -116.256
flat angles C4'-P-C4' energy: -112.053
flat angles P-C4'-P energy: -48.937
tors. eta vs tors. theta energy: -34.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -652.454642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.454642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.454642 (E_RNA)
where:
Base-Base interactions energy: -295.195
where: short stacking energy: -185.566
Base-Backbone interact. energy: 0.903
local terms energy: -358.163115
where:
bonds (distance) C4'-P energy: -106.359
bonds (distance) P-C4' energy: -123.092
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -56.229
tors. eta vs tors. theta energy: 10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2291.288366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.288366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.288366 (E_RNA)
where:
Base-Base interactions energy: -1609.685
where: short stacking energy: -666.612
Base-Backbone interact. energy: -1.757
local terms energy: -679.846461
where:
bonds (distance) C4'-P energy: -113.958
bonds (distance) P-C4' energy: -139.816
flat angles C4'-P-C4' energy: -144.393
flat angles P-C4'-P energy: -89.191
tors. eta vs tors. theta energy: -192.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2226.749153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.749153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.749153 (E_RNA)
where:
Base-Base interactions energy: -1504.514
where: short stacking energy: -637.409
Base-Backbone interact. energy: -5.554
local terms energy: -716.680840
where:
bonds (distance) C4'-P energy: -137.078
bonds (distance) P-C4' energy: -138.585
flat angles C4'-P-C4' energy: -156.513
flat angles P-C4'-P energy: -90.340
tors. eta vs tors. theta energy: -194.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2177.610088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.610088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.610088 (E_RNA)
where:
Base-Base interactions energy: -1492.678
where: short stacking energy: -608.841
Base-Backbone interact. energy: -5.319
local terms energy: -679.613689
where:
bonds (distance) C4'-P energy: -132.056
bonds (distance) P-C4' energy: -135.645
flat angles C4'-P-C4' energy: -134.537
flat angles P-C4'-P energy: -94.022
tors. eta vs tors. theta energy: -183.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2024.692247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.692247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.692247 (E_RNA)
where:
Base-Base interactions energy: -1394.664
where: short stacking energy: -590.372
Base-Backbone interact. energy: -0.418
local terms energy: -629.609946
where:
bonds (distance) C4'-P energy: -130.112
bonds (distance) P-C4' energy: -112.110
flat angles C4'-P-C4' energy: -131.301
flat angles P-C4'-P energy: -86.937
tors. eta vs tors. theta energy: -169.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1858.808569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.808569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.808569 (E_RNA)
where:
Base-Base interactions energy: -1265.271
where: short stacking energy: -539.453
Base-Backbone interact. energy: 0.914
local terms energy: -594.451883
where:
bonds (distance) C4'-P energy: -116.511
bonds (distance) P-C4' energy: -120.148
flat angles C4'-P-C4' energy: -113.926
flat angles P-C4'-P energy: -101.001
tors. eta vs tors. theta energy: -142.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1830.493214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.493214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.493214 (E_RNA)
where:
Base-Base interactions energy: -1279.404
where: short stacking energy: -530.636
Base-Backbone interact. energy: 1.071
local terms energy: -552.159756
where:
bonds (distance) C4'-P energy: -121.663
bonds (distance) P-C4' energy: -97.318
flat angles C4'-P-C4' energy: -117.806
flat angles P-C4'-P energy: -74.765
tors. eta vs tors. theta energy: -140.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1579.101202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.101202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.101202 (E_RNA)
where:
Base-Base interactions energy: -1048.612
where: short stacking energy: -449.944
Base-Backbone interact. energy: 2.417
local terms energy: -532.906575
where:
bonds (distance) C4'-P energy: -94.401
bonds (distance) P-C4' energy: -115.520
flat angles C4'-P-C4' energy: -137.375
flat angles P-C4'-P energy: -78.660
tors. eta vs tors. theta energy: -106.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1189.085627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.085627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.085627 (E_RNA)
where:
Base-Base interactions energy: -751.370
where: short stacking energy: -355.477
Base-Backbone interact. energy: 1.349
local terms energy: -439.064342
where:
bonds (distance) C4'-P energy: -111.823
bonds (distance) P-C4' energy: -119.084
flat angles C4'-P-C4' energy: -102.350
flat angles P-C4'-P energy: -59.484
tors. eta vs tors. theta energy: -46.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1021.291478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.291478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.291478 (E_RNA)
where:
Base-Base interactions energy: -613.883
where: short stacking energy: -298.472
Base-Backbone interact. energy: 3.129
local terms energy: -410.537523
where:
bonds (distance) C4'-P energy: -101.684
bonds (distance) P-C4' energy: -110.683
flat angles C4'-P-C4' energy: -106.129
flat angles P-C4'-P energy: -51.794
tors. eta vs tors. theta energy: -40.247
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: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -632.794719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.794719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.794719 (E_RNA)
where:
Base-Base interactions energy: -289.065
where: short stacking energy: -183.442
Base-Backbone interact. energy: -0.399
local terms energy: -343.331297
where:
bonds (distance) C4'-P energy: -114.394
bonds (distance) P-C4' energy: -111.224
flat angles C4'-P-C4' energy: -83.604
flat angles P-C4'-P energy: -58.971
tors. eta vs tors. theta energy: 24.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2310.509459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.509459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.509459 (E_RNA)
where:
Base-Base interactions energy: -1614.050
where: short stacking energy: -655.528
Base-Backbone interact. energy: -4.645
local terms energy: -691.814167
where:
bonds (distance) C4'-P energy: -127.831
bonds (distance) P-C4' energy: -137.490
flat angles C4'-P-C4' energy: -141.336
flat angles P-C4'-P energy: -100.779
tors. eta vs tors. theta energy: -184.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2195.640549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.640549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.640549 (E_RNA)
where:
Base-Base interactions energy: -1487.247
where: short stacking energy: -651.452
Base-Backbone interact. energy: 1.209
local terms energy: -709.602064
where:
bonds (distance) C4'-P energy: -116.195
bonds (distance) P-C4' energy: -151.671
flat angles C4'-P-C4' energy: -149.503
flat angles P-C4'-P energy: -100.884
tors. eta vs tors. theta energy: -191.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2183.947630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.947630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.947630 (E_RNA)
where:
Base-Base interactions energy: -1499.530
where: short stacking energy: -635.126
Base-Backbone interact. energy: 1.185
local terms energy: -685.602884
where:
bonds (distance) C4'-P energy: -142.383
bonds (distance) P-C4' energy: -128.364
flat angles C4'-P-C4' energy: -139.177
flat angles P-C4'-P energy: -89.870
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2025.790900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.790900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.790900 (E_RNA)
where:
Base-Base interactions energy: -1371.415
where: short stacking energy: -588.846
Base-Backbone interact. energy: -0.312
local terms energy: -654.064206
where:
bonds (distance) C4'-P energy: -132.848
bonds (distance) P-C4' energy: -124.292
flat angles C4'-P-C4' energy: -141.501
flat angles P-C4'-P energy: -93.866
tors. eta vs tors. theta energy: -161.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1917.676035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.676035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.676035 (E_RNA)
where:
Base-Base interactions energy: -1320.423
where: short stacking energy: -560.899
Base-Backbone interact. energy: 5.304
local terms energy: -602.557739
where:
bonds (distance) C4'-P energy: -108.980
bonds (distance) P-C4' energy: -120.025
flat angles C4'-P-C4' energy: -135.113
flat angles P-C4'-P energy: -84.898
tors. eta vs tors. theta energy: -153.543
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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1802.108897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.108897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.108897 (E_RNA)
where:
Base-Base interactions energy: -1227.662
where: short stacking energy: -510.116
Base-Backbone interact. energy: -2.253
local terms energy: -572.193459
where:
bonds (distance) C4'-P energy: -105.873
bonds (distance) P-C4' energy: -112.275
flat angles C4'-P-C4' energy: -131.128
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -140.365
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: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1611.445423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.445423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.445423 (E_RNA)
where:
Base-Base interactions energy: -1052.713
where: short stacking energy: -436.052
Base-Backbone interact. energy: -3.113
local terms energy: -555.619041
where:
bonds (distance) C4'-P energy: -101.866
bonds (distance) P-C4' energy: -134.046
flat angles C4'-P-C4' energy: -126.775
flat angles P-C4'-P energy: -85.493
tors. eta vs tors. theta energy: -107.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1166.866218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.866218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.866218 (E_RNA)
where:
Base-Base interactions energy: -726.444
where: short stacking energy: -326.074
Base-Backbone interact. energy: -1.318
local terms energy: -439.104702
where:
bonds (distance) C4'-P energy: -108.953
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -114.986
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1014.058088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.058088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.058088 (E_RNA)
where:
Base-Base interactions energy: -590.129
where: short stacking energy: -305.426
Base-Backbone interact. energy: -1.487
local terms energy: -422.442308
where:
bonds (distance) C4'-P energy: -95.738
bonds (distance) P-C4' energy: -115.247
flat angles C4'-P-C4' energy: -105.419
flat angles P-C4'-P energy: -73.565
tors. eta vs tors. theta energy: -32.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -646.500866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.500866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.500866 (E_RNA)
where:
Base-Base interactions energy: -304.440
where: short stacking energy: -192.526
Base-Backbone interact. energy: 8.247
local terms energy: -350.308498
where:
bonds (distance) C4'-P energy: -109.139
bonds (distance) P-C4' energy: -101.789
flat angles C4'-P-C4' energy: -92.012
flat angles P-C4'-P energy: -52.313
tors. eta vs tors. theta energy: 4.945
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2290.385033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.385033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.385033 (E_RNA)
where:
Base-Base interactions energy: -1619.245
where: short stacking energy: -681.024
Base-Backbone interact. energy: -2.132
local terms energy: -669.007950
where:
bonds (distance) C4'-P energy: -122.396
bonds (distance) P-C4' energy: -127.078
flat angles C4'-P-C4' energy: -147.114
flat angles P-C4'-P energy: -93.840
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: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2236.825863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.825863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.825863 (E_RNA)
where:
Base-Base interactions energy: -1540.463
where: short stacking energy: -641.118
Base-Backbone interact. energy: -2.698
local terms energy: -693.664611
where:
bonds (distance) C4'-P energy: -135.452
bonds (distance) P-C4' energy: -123.933
flat angles C4'-P-C4' energy: -150.844
flat angles P-C4'-P energy: -98.397
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: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2153.807188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.807188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.807188 (E_RNA)
where:
Base-Base interactions energy: -1481.218
where: short stacking energy: -661.055
Base-Backbone interact. energy: -2.102
local terms energy: -670.487146
where:
bonds (distance) C4'-P energy: -118.508
bonds (distance) P-C4' energy: -140.856
flat angles C4'-P-C4' energy: -142.607
flat angles P-C4'-P energy: -82.692
tors. eta vs tors. theta energy: -185.824
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: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2052.593614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.593614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.593614 (E_RNA)
where:
Base-Base interactions energy: -1440.857
where: short stacking energy: -614.055
Base-Backbone interact. energy: -3.086
local terms energy: -608.651093
where:
bonds (distance) C4'-P energy: -114.413
bonds (distance) P-C4' energy: -117.892
flat angles C4'-P-C4' energy: -131.813
flat angles P-C4'-P energy: -77.414
tors. eta vs tors. theta energy: -167.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1863.813526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.813526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.813526 (E_RNA)
where:
Base-Base interactions energy: -1269.120
where: short stacking energy: -542.622
Base-Backbone interact. energy: -2.142
local terms energy: -592.551014
where:
bonds (distance) C4'-P energy: -120.517
bonds (distance) P-C4' energy: -113.657
flat angles C4'-P-C4' energy: -135.724
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -145.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1814.010966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.010966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.010966 (E_RNA)
where:
Base-Base interactions energy: -1242.705
where: short stacking energy: -527.042
Base-Backbone interact. energy: 0.464
local terms energy: -571.770448
where:
bonds (distance) C4'-P energy: -104.358
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -123.848
flat angles P-C4'-P energy: -86.292
tors. eta vs tors. theta energy: -133.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1582.957534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.957534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.957534 (E_RNA)
where:
Base-Base interactions energy: -1044.726
where: short stacking energy: -449.063
Base-Backbone interact. energy: 1.200
local terms energy: -539.431432
where:
bonds (distance) C4'-P energy: -126.344
bonds (distance) P-C4' energy: -115.017
flat angles C4'-P-C4' energy: -129.828
flat angles P-C4'-P energy: -74.695
tors. eta vs tors. theta energy: -93.547
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: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1218.255050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.255050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.255050 (E_RNA)
where:
Base-Base interactions energy: -748.277
where: short stacking energy: -370.838
Base-Backbone interact. energy: 1.800
local terms energy: -471.778208
where:
bonds (distance) C4'-P energy: -85.415
bonds (distance) P-C4' energy: -118.116
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -62.536
tors. eta vs tors. theta energy: -80.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -973.886821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.886821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.886821 (E_RNA)
where:
Base-Base interactions energy: -573.883
where: short stacking energy: -272.859
Base-Backbone interact. energy: 0.817
local terms energy: -400.820610
where:
bonds (distance) C4'-P energy: -100.246
bonds (distance) P-C4' energy: -114.935
flat angles C4'-P-C4' energy: -123.395
flat angles P-C4'-P energy: -47.929
tors. eta vs tors. theta energy: -14.317
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: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -633.610205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.610205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.610205 (E_RNA)
where:
Base-Base interactions energy: -268.375
where: short stacking energy: -159.413
Base-Backbone interact. energy: 3.512
local terms energy: -368.747282
where:
bonds (distance) C4'-P energy: -113.133
bonds (distance) P-C4' energy: -113.746
flat angles C4'-P-C4' energy: -95.591
flat angles P-C4'-P energy: -66.560
tors. eta vs tors. theta energy: 20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2293.874086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.874086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.874086 (E_RNA)
where:
Base-Base interactions energy: -1594.263
where: short stacking energy: -688.964
Base-Backbone interact. energy: -1.117
local terms energy: -698.493906
where:
bonds (distance) C4'-P energy: -132.531
bonds (distance) P-C4' energy: -124.404
flat angles C4'-P-C4' energy: -154.668
flat angles P-C4'-P energy: -95.019
tors. eta vs tors. theta energy: -191.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2206.617118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.617118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.617118 (E_RNA)
where:
Base-Base interactions energy: -1519.737
where: short stacking energy: -617.377
Base-Backbone interact. energy: -3.203
local terms energy: -683.677186
where:
bonds (distance) C4'-P energy: -121.050
bonds (distance) P-C4' energy: -127.219
flat angles C4'-P-C4' energy: -152.648
flat angles P-C4'-P energy: -101.713
tors. eta vs tors. theta energy: -181.048
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: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2134.973655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.973655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.973655 (E_RNA)
where:
Base-Base interactions energy: -1474.941
where: short stacking energy: -612.211
Base-Backbone interact. energy: -0.629
local terms energy: -659.402976
where:
bonds (distance) C4'-P energy: -116.023
bonds (distance) P-C4' energy: -120.423
flat angles C4'-P-C4' energy: -144.801
flat angles P-C4'-P energy: -100.197
tors. eta vs tors. theta energy: -177.958
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: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2035.247446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.247446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.247446 (E_RNA)
where:
Base-Base interactions energy: -1416.898
where: short stacking energy: -600.261
Base-Backbone interact. energy: -1.949
local terms energy: -616.400463
where:
bonds (distance) C4'-P energy: -98.205
bonds (distance) P-C4' energy: -120.399
flat angles C4'-P-C4' energy: -132.400
flat angles P-C4'-P energy: -94.820
tors. eta vs tors. theta energy: -170.576
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: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1849.073431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.073431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.073431 (E_RNA)
where:
Base-Base interactions energy: -1277.670
where: short stacking energy: -547.517
Base-Backbone interact. energy: -1.957
local terms energy: -569.447247
where:
bonds (distance) C4'-P energy: -115.051
bonds (distance) P-C4' energy: -113.294
flat angles C4'-P-C4' energy: -110.893
flat angles P-C4'-P energy: -86.295
tors. eta vs tors. theta energy: -143.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1749.289546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.289546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.289546 (E_RNA)
where:
Base-Base interactions energy: -1170.770
where: short stacking energy: -520.569
Base-Backbone interact. energy: -3.006
local terms energy: -575.513725
where:
bonds (distance) C4'-P energy: -112.453
bonds (distance) P-C4' energy: -125.002
flat angles C4'-P-C4' energy: -119.672
flat angles P-C4'-P energy: -77.622
tors. eta vs tors. theta energy: -140.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1595.663111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.663111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.663111 (E_RNA)
where:
Base-Base interactions energy: -1045.392
where: short stacking energy: -452.963
Base-Backbone interact. energy: -3.567
local terms energy: -546.703591
where:
bonds (distance) C4'-P energy: -113.152
bonds (distance) P-C4' energy: -121.831
flat angles C4'-P-C4' energy: -121.404
flat angles P-C4'-P energy: -85.089
tors. eta vs tors. theta energy: -105.227
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: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1208.600024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.600024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.600024 (E_RNA)
where:
Base-Base interactions energy: -752.309
where: short stacking energy: -353.482
Base-Backbone interact. energy: -2.427
local terms energy: -453.864472
where:
bonds (distance) C4'-P energy: -106.246
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -112.735
flat angles P-C4'-P energy: -72.714
tors. eta vs tors. theta energy: -53.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -944.129258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.129258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.129258 (E_RNA)
where:
Base-Base interactions energy: -520.950
where: short stacking energy: -276.837
Base-Backbone interact. energy: -0.236
local terms energy: -422.943522
where:
bonds (distance) C4'-P energy: -104.753
bonds (distance) P-C4' energy: -112.722
flat angles C4'-P-C4' energy: -103.391
flat angles P-C4'-P energy: -68.670
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -529.272639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.272639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.272639 (E_RNA)
where:
Base-Base interactions energy: -218.988
where: short stacking energy: -181.694
Base-Backbone interact. energy: 3.707
local terms energy: -313.992551
where:
bonds (distance) C4'-P energy: -87.412
bonds (distance) P-C4' energy: -99.495
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -59.021
tors. eta vs tors. theta energy: 15.467
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: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2303.614615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.614615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.614615 (E_RNA)
where:
Base-Base interactions energy: -1616.213
where: short stacking energy: -636.955
Base-Backbone interact. energy: -1.909
local terms energy: -685.492958
where:
bonds (distance) C4'-P energy: -140.533
bonds (distance) P-C4' energy: -125.879
flat angles C4'-P-C4' energy: -141.977
flat angles P-C4'-P energy: -104.689
tors. eta vs tors. theta energy: -172.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2234.181477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.181477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.181477 (E_RNA)
where:
Base-Base interactions energy: -1535.383
where: short stacking energy: -639.522
Base-Backbone interact. energy: -2.843
local terms energy: -695.955442
where:
bonds (distance) C4'-P energy: -132.793
bonds (distance) P-C4' energy: -135.974
flat angles C4'-P-C4' energy: -143.545
flat angles P-C4'-P energy: -96.848
tors. eta vs tors. theta energy: -186.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2164.656386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.656386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.656386 (E_RNA)
where:
Base-Base interactions energy: -1474.071
where: short stacking energy: -627.071
Base-Backbone interact. energy: -2.224
local terms energy: -688.361262
where:
bonds (distance) C4'-P energy: -121.238
bonds (distance) P-C4' energy: -138.128
flat angles C4'-P-C4' energy: -145.243
flat angles P-C4'-P energy: -95.973
tors. eta vs tors. theta energy: -187.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2077.978656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.978656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.978656 (E_RNA)
where:
Base-Base interactions energy: -1439.734
where: short stacking energy: -643.457
Base-Backbone interact. energy: -2.476
local terms energy: -635.768411
where:
bonds (distance) C4'-P energy: -116.794
bonds (distance) P-C4' energy: -97.407
flat angles C4'-P-C4' energy: -153.033
flat angles P-C4'-P energy: -89.611
tors. eta vs tors. theta energy: -178.923
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: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1852.286102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.286102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.286102 (E_RNA)
where:
Base-Base interactions energy: -1269.701
where: short stacking energy: -560.869
Base-Backbone interact. energy: -1.833
local terms energy: -580.752071
where:
bonds (distance) C4'-P energy: -125.756
bonds (distance) P-C4' energy: -108.945
flat angles C4'-P-C4' energy: -123.512
flat angles P-C4'-P energy: -83.279
tors. eta vs tors. theta energy: -139.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1779.506311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.506311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.506311 (E_RNA)
where:
Base-Base interactions energy: -1214.455
where: short stacking energy: -510.261
Base-Backbone interact. energy: -2.019
local terms energy: -563.032627
where:
bonds (distance) C4'-P energy: -109.698
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -125.236
flat angles P-C4'-P energy: -77.566
tors. eta vs tors. theta energy: -141.212
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: 389
Temperature: 1.200000
Total energy: -1541.613808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.613808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.613808 (E_RNA)
where:
Base-Base interactions energy: -1072.876
where: short stacking energy: -463.349
Base-Backbone interact. energy: -2.448
local terms energy: -466.290647
where:
bonds (distance) C4'-P energy: -119.011
bonds (distance) P-C4' energy: -98.865
flat angles C4'-P-C4' energy: -114.597
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -98.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1285.442705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.442705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.442705 (E_RNA)
where:
Base-Base interactions energy: -825.552
where: short stacking energy: -390.770
Base-Backbone interact. energy: 3.715
local terms energy: -463.605537
where:
bonds (distance) C4'-P energy: -107.106
bonds (distance) P-C4' energy: -103.999
flat angles C4'-P-C4' energy: -102.959
flat angles P-C4'-P energy: -72.510
tors. eta vs tors. theta energy: -77.032
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: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -928.034413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.034413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.034413 (E_RNA)
where:
Base-Base interactions energy: -523.942
where: short stacking energy: -256.277
Base-Backbone interact. energy: -0.005
local terms energy: -404.087577
where:
bonds (distance) C4'-P energy: -111.058
bonds (distance) P-C4' energy: -111.605
flat angles C4'-P-C4' energy: -98.554
flat angles P-C4'-P energy: -55.865
tors. eta vs tors. theta energy: -27.005
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: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -580.251787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.251787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.251787 (E_RNA)
where:
Base-Base interactions energy: -254.911
where: short stacking energy: -180.476
Base-Backbone interact. energy: -4.408
local terms energy: -320.932914
where:
bonds (distance) C4'-P energy: -116.089
bonds (distance) P-C4' energy: -114.910
flat angles C4'-P-C4' energy: -70.263
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: 13.345
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: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2290.636984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.636984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.636984 (E_RNA)
where:
Base-Base interactions energy: -1618.343
where: short stacking energy: -646.983
Base-Backbone interact. energy: -4.677
local terms energy: -667.616612
where:
bonds (distance) C4'-P energy: -123.546
bonds (distance) P-C4' energy: -125.051
flat angles C4'-P-C4' energy: -152.973
flat angles P-C4'-P energy: -89.246
tors. eta vs tors. theta energy: -176.800
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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2220.663543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.663543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.663543 (E_RNA)
where:
Base-Base interactions energy: -1542.627
where: short stacking energy: -652.911
Base-Backbone interact. energy: -3.943
local terms energy: -674.092875
where:
bonds (distance) C4'-P energy: -122.420
bonds (distance) P-C4' energy: -134.274
flat angles C4'-P-C4' energy: -145.503
flat angles P-C4'-P energy: -93.764
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: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2135.024626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.024626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.024626 (E_RNA)
where:
Base-Base interactions energy: -1451.822
where: short stacking energy: -613.274
Base-Backbone interact. energy: -3.157
local terms energy: -680.045722
where:
bonds (distance) C4'-P energy: -138.777
bonds (distance) P-C4' energy: -130.360
flat angles C4'-P-C4' energy: -142.919
flat angles P-C4'-P energy: -91.176
tors. eta vs tors. theta energy: -176.814
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: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2049.277648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.277648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.277648 (E_RNA)
where:
Base-Base interactions energy: -1409.515
where: short stacking energy: -611.606
Base-Backbone interact. energy: -0.916
local terms energy: -638.846413
where:
bonds (distance) C4'-P energy: -118.914
bonds (distance) P-C4' energy: -119.962
flat angles C4'-P-C4' energy: -143.133
flat angles P-C4'-P energy: -79.760
tors. eta vs tors. theta energy: -177.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1865.571378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.571378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.571378 (E_RNA)
where:
Base-Base interactions energy: -1279.781
where: short stacking energy: -547.665
Base-Backbone interact. energy: -1.498
local terms energy: -584.292350
where:
bonds (distance) C4'-P energy: -93.669
bonds (distance) P-C4' energy: -123.730
flat angles C4'-P-C4' energy: -140.920
flat angles P-C4'-P energy: -79.815
tors. eta vs tors. theta energy: -146.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1795.468773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.468773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.468773 (E_RNA)
where:
Base-Base interactions energy: -1217.309
where: short stacking energy: -559.526
Base-Backbone interact. energy: -2.811
local terms energy: -575.348385
where:
bonds (distance) C4'-P energy: -90.906
bonds (distance) P-C4' energy: -110.685
flat angles C4'-P-C4' energy: -132.001
flat angles P-C4'-P energy: -89.035
tors. eta vs tors. theta energy: -152.722
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: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1547.390731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.390731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.390731 (E_RNA)
where:
Base-Base interactions energy: -1015.580
where: short stacking energy: -412.617
Base-Backbone interact. energy: -2.342
local terms energy: -529.469375
where:
bonds (distance) C4'-P energy: -107.251
bonds (distance) P-C4' energy: -114.137
flat angles C4'-P-C4' energy: -123.446
flat angles P-C4'-P energy: -82.257
tors. eta vs tors. theta energy: -102.379
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: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1307.497738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.497738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.497738 (E_RNA)
where:
Base-Base interactions energy: -818.842
where: short stacking energy: -367.106
Base-Backbone interact. energy: -1.780
local terms energy: -486.875710
where:
bonds (distance) C4'-P energy: -103.812
bonds (distance) P-C4' energy: -107.915
flat angles C4'-P-C4' energy: -114.430
flat angles P-C4'-P energy: -76.744
tors. eta vs tors. theta energy: -83.974
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1022.661448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.661448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.661448 (E_RNA)
where:
Base-Base interactions energy: -602.347
where: short stacking energy: -301.216
Base-Backbone interact. energy: 3.654
local terms energy: -423.968313
where:
bonds (distance) C4'-P energy: -101.828
bonds (distance) P-C4' energy: -118.588
flat angles C4'-P-C4' energy: -90.563
flat angles P-C4'-P energy: -66.800
tors. eta vs tors. theta energy: -46.190
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: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -528.668729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.668729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.668729 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -120.857
Base-Backbone interact. energy: 1.225
local terms energy: -347.311392
where:
bonds (distance) C4'-P energy: -78.961
bonds (distance) P-C4' energy: -135.508
flat angles C4'-P-C4' energy: -95.800
flat angles P-C4'-P energy: -63.502
tors. eta vs tors. theta energy: 26.459
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2291.438840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.438840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.438840 (E_RNA)
where:
Base-Base interactions energy: -1608.385
where: short stacking energy: -633.840
Base-Backbone interact. energy: -2.004
local terms energy: -681.050481
where:
bonds (distance) C4'-P energy: -124.949
bonds (distance) P-C4' energy: -129.540
flat angles C4'-P-C4' energy: -142.756
flat angles P-C4'-P energy: -106.577
tors. eta vs tors. theta energy: -177.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2243.920922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.920922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.920922 (E_RNA)
where:
Base-Base interactions energy: -1562.965
where: short stacking energy: -644.781
Base-Backbone interact. energy: -2.038
local terms energy: -678.917389
where:
bonds (distance) C4'-P energy: -120.955
bonds (distance) P-C4' energy: -133.337
flat angles C4'-P-C4' energy: -149.036
flat angles P-C4'-P energy: -92.950
tors. eta vs tors. theta energy: -182.639
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: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2154.409424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.409424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.409424 (E_RNA)
where:
Base-Base interactions energy: -1469.462
where: short stacking energy: -656.916
Base-Backbone interact. energy: -1.897
local terms energy: -683.050438
where:
bonds (distance) C4'-P energy: -117.404
bonds (distance) P-C4' energy: -127.494
flat angles C4'-P-C4' energy: -151.334
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -187.019
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: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2057.505671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.505671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.505671 (E_RNA)
where:
Base-Base interactions energy: -1408.129
where: short stacking energy: -611.061
Base-Backbone interact. energy: -2.832
local terms energy: -646.544809
where:
bonds (distance) C4'-P energy: -114.673
bonds (distance) P-C4' energy: -118.118
flat angles C4'-P-C4' energy: -140.650
flat angles P-C4'-P energy: -97.322
tors. eta vs tors. theta energy: -175.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1893.657853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.657853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.657853 (E_RNA)
where:
Base-Base interactions energy: -1276.082
where: short stacking energy: -553.073
Base-Backbone interact. energy: -0.060
local terms energy: -617.516573
where:
bonds (distance) C4'-P energy: -111.268
bonds (distance) P-C4' energy: -120.845
flat angles C4'-P-C4' energy: -137.615
flat angles P-C4'-P energy: -95.515
tors. eta vs tors. theta energy: -152.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1807.812135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.812135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.812135 (E_RNA)
where:
Base-Base interactions energy: -1235.100
where: short stacking energy: -522.889
Base-Backbone interact. energy: -2.933
local terms energy: -569.779114
where:
bonds (distance) C4'-P energy: -110.681
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -123.181
flat angles P-C4'-P energy: -90.335
tors. eta vs tors. theta energy: -127.123
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: 391
Temperature: 1.200000
Total energy: -1524.366529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.366529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.366529 (E_RNA)
where:
Base-Base interactions energy: -974.157
where: short stacking energy: -449.301
Base-Backbone interact. energy: 0.155
local terms energy: -550.364132
where:
bonds (distance) C4'-P energy: -110.039
bonds (distance) P-C4' energy: -122.094
flat angles C4'-P-C4' energy: -113.288
flat angles P-C4'-P energy: -90.991
tors. eta vs tors. theta energy: -113.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1271.510419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.510419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.510419 (E_RNA)
where:
Base-Base interactions energy: -823.006
where: short stacking energy: -350.057
Base-Backbone interact. energy: -1.601
local terms energy: -446.902934
where:
bonds (distance) C4'-P energy: -90.696
bonds (distance) P-C4' energy: -114.904
flat angles C4'-P-C4' energy: -106.834
flat angles P-C4'-P energy: -75.200
tors. eta vs tors. theta energy: -59.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -986.308726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.308726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.308726 (E_RNA)
where:
Base-Base interactions energy: -563.178
where: short stacking energy: -283.727
Base-Backbone interact. energy: 1.470
local terms energy: -424.600031
where:
bonds (distance) C4'-P energy: -116.280
bonds (distance) P-C4' energy: -117.474
flat angles C4'-P-C4' energy: -101.609
flat angles P-C4'-P energy: -56.505
tors. eta vs tors. theta energy: -32.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -513.972852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.972852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.972852 (E_RNA)
where:
Base-Base interactions energy: -202.888
where: short stacking energy: -154.305
Base-Backbone interact. energy: 4.219
local terms energy: -315.304247
where:
bonds (distance) C4'-P energy: -101.495
bonds (distance) P-C4' energy: -109.872
flat angles C4'-P-C4' energy: -68.329
flat angles P-C4'-P energy: -55.235
tors. eta vs tors. theta energy: 19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2311.271716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.271716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.271716 (E_RNA)
where:
Base-Base interactions energy: -1625.326
where: short stacking energy: -673.974
Base-Backbone interact. energy: -1.309
local terms energy: -684.636352
where:
bonds (distance) C4'-P energy: -130.696
bonds (distance) P-C4' energy: -123.085
flat angles C4'-P-C4' energy: -149.688
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -182.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2217.302063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.302063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.302063 (E_RNA)
where:
Base-Base interactions energy: -1554.267
where: short stacking energy: -631.653
Base-Backbone interact. energy: -3.480
local terms energy: -659.555607
where:
bonds (distance) C4'-P energy: -124.488
bonds (distance) P-C4' energy: -126.979
flat angles C4'-P-C4' energy: -143.311
flat angles P-C4'-P energy: -99.555
tors. eta vs tors. theta energy: -165.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2138.467543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.467543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.467543 (E_RNA)
where:
Base-Base interactions energy: -1461.179
where: short stacking energy: -613.462
Base-Backbone interact. energy: -3.043
local terms energy: -674.245949
where:
bonds (distance) C4'-P energy: -118.927
bonds (distance) P-C4' energy: -124.905
flat angles C4'-P-C4' energy: -139.451
flat angles P-C4'-P energy: -106.207
tors. eta vs tors. theta energy: -184.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2066.155143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.155143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.155143 (E_RNA)
where:
Base-Base interactions energy: -1404.292
where: short stacking energy: -601.495
Base-Backbone interact. energy: 0.203
local terms energy: -662.066237
where:
bonds (distance) C4'-P energy: -129.765
bonds (distance) P-C4' energy: -107.009
flat angles C4'-P-C4' energy: -148.199
flat angles P-C4'-P energy: -99.723
tors. eta vs tors. theta energy: -177.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1857.722019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.722019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.722019 (E_RNA)
where:
Base-Base interactions energy: -1251.210
where: short stacking energy: -524.600
Base-Backbone interact. energy: -1.013
local terms energy: -605.498916
where:
bonds (distance) C4'-P energy: -119.924
bonds (distance) P-C4' energy: -123.005
flat angles C4'-P-C4' energy: -139.620
flat angles P-C4'-P energy: -75.482
tors. eta vs tors. theta energy: -147.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1794.580359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.580359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.580359 (E_RNA)
where:
Base-Base interactions energy: -1238.948
where: short stacking energy: -539.417
Base-Backbone interact. energy: -2.209
local terms energy: -553.424002
where:
bonds (distance) C4'-P energy: -110.926
bonds (distance) P-C4' energy: -114.154
flat angles C4'-P-C4' energy: -107.499
flat angles P-C4'-P energy: -77.749
tors. eta vs tors. theta energy: -143.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1522.575842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.575842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.575842 (E_RNA)
where:
Base-Base interactions energy: -1002.230
where: short stacking energy: -433.213
Base-Backbone interact. energy: 5.860
local terms energy: -526.206291
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -117.199
flat angles C4'-P-C4' energy: -128.082
flat angles P-C4'-P energy: -69.624
tors. eta vs tors. theta energy: -100.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1272.269678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.269678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.269678 (E_RNA)
where:
Base-Base interactions energy: -797.174
where: short stacking energy: -383.775
Base-Backbone interact. energy: -0.532
local terms energy: -474.563520
where:
bonds (distance) C4'-P energy: -86.273
bonds (distance) P-C4' energy: -123.475
flat angles C4'-P-C4' energy: -106.420
flat angles P-C4'-P energy: -68.375
tors. eta vs tors. theta energy: -90.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -980.193991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.193991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.193991 (E_RNA)
where:
Base-Base interactions energy: -583.225
where: short stacking energy: -283.874
Base-Backbone interact. energy: 3.822
local terms energy: -400.790826
where:
bonds (distance) C4'-P energy: -96.099
bonds (distance) P-C4' energy: -122.071
flat angles C4'-P-C4' energy: -104.020
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -26.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -528.728492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.728492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.728492 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -158.149
Base-Backbone interact. energy: 4.159
local terms energy: -348.644658
where:
bonds (distance) C4'-P energy: -103.583
bonds (distance) P-C4' energy: -106.551
flat angles C4'-P-C4' energy: -96.575
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: 8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2315.866802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.866802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.866802 (E_RNA)
where:
Base-Base interactions energy: -1623.619
where: short stacking energy: -666.348
Base-Backbone interact. energy: -2.404
local terms energy: -689.844452
where:
bonds (distance) C4'-P energy: -128.994
bonds (distance) P-C4' energy: -131.900
flat angles C4'-P-C4' energy: -144.950
flat angles P-C4'-P energy: -109.021
tors. eta vs tors. theta energy: -174.978
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: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2223.854374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.854374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.854374 (E_RNA)
where:
Base-Base interactions energy: -1544.040
where: short stacking energy: -665.726
Base-Backbone interact. energy: -2.691
local terms energy: -677.123699
where:
bonds (distance) C4'-P energy: -129.639
bonds (distance) P-C4' energy: -140.517
flat angles C4'-P-C4' energy: -134.701
flat angles P-C4'-P energy: -89.360
tors. eta vs tors. theta energy: -182.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2195.605298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.605298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.605298 (E_RNA)
where:
Base-Base interactions energy: -1509.225
where: short stacking energy: -614.747
Base-Backbone interact. energy: -0.263
local terms energy: -686.116665
where:
bonds (distance) C4'-P energy: -121.656
bonds (distance) P-C4' energy: -133.286
flat angles C4'-P-C4' energy: -150.178
flat angles P-C4'-P energy: -92.064
tors. eta vs tors. theta energy: -188.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2038.337210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.337210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.337210 (E_RNA)
where:
Base-Base interactions energy: -1406.158
where: short stacking energy: -626.886
Base-Backbone interact. energy: -0.930
local terms energy: -631.248859
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -117.699
flat angles C4'-P-C4' energy: -129.516
flat angles P-C4'-P energy: -88.857
tors. eta vs tors. theta energy: -180.913
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: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1853.262176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.262176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.262176 (E_RNA)
where:
Base-Base interactions energy: -1275.172
where: short stacking energy: -528.634
Base-Backbone interact. energy: -5.129
local terms energy: -572.961524
where:
bonds (distance) C4'-P energy: -118.191
bonds (distance) P-C4' energy: -101.247
flat angles C4'-P-C4' energy: -142.068
flat angles P-C4'-P energy: -74.608
tors. eta vs tors. theta energy: -136.848
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: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1803.274211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.274211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.274211 (E_RNA)
where:
Base-Base interactions energy: -1255.003
where: short stacking energy: -503.536
Base-Backbone interact. energy: 0.037
local terms energy: -548.308010
where:
bonds (distance) C4'-P energy: -87.065
bonds (distance) P-C4' energy: -119.353
flat angles C4'-P-C4' energy: -125.897
flat angles P-C4'-P energy: -90.090
tors. eta vs tors. theta energy: -125.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1491.609733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.609733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.609733 (E_RNA)
where:
Base-Base interactions energy: -967.782
where: short stacking energy: -439.824
Base-Backbone interact. energy: 1.533
local terms energy: -525.360938
where:
bonds (distance) C4'-P energy: -114.805
bonds (distance) P-C4' energy: -99.756
flat angles C4'-P-C4' energy: -133.463
flat angles P-C4'-P energy: -68.295
tors. eta vs tors. theta energy: -109.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1245.640830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.640830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.640830 (E_RNA)
where:
Base-Base interactions energy: -793.790
where: short stacking energy: -356.409
Base-Backbone interact. energy: 0.846
local terms energy: -452.697026
where:
bonds (distance) C4'-P energy: -112.548
bonds (distance) P-C4' energy: -109.578
flat angles C4'-P-C4' energy: -115.296
flat angles P-C4'-P energy: -60.029
tors. eta vs tors. theta energy: -55.245
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: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1044.057169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.057169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.057169 (E_RNA)
where:
Base-Base interactions energy: -617.260
where: short stacking energy: -286.588
Base-Backbone interact. energy: 0.354
local terms energy: -427.151102
where:
bonds (distance) C4'-P energy: -112.293
bonds (distance) P-C4' energy: -122.354
flat angles C4'-P-C4' energy: -88.722
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -51.284
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: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -532.101335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.101335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.101335 (E_RNA)
where:
Base-Base interactions energy: -165.060
where: short stacking energy: -141.519
Base-Backbone interact. energy: 2.843
local terms energy: -369.884397
where:
bonds (distance) C4'-P energy: -100.009
bonds (distance) P-C4' energy: -120.268
flat angles C4'-P-C4' energy: -109.809
flat angles P-C4'-P energy: -54.434
tors. eta vs tors. theta energy: 14.634
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: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2312.119502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.119502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.119502 (E_RNA)
where:
Base-Base interactions energy: -1618.700
where: short stacking energy: -659.405
Base-Backbone interact. energy: -4.490
local terms energy: -688.929378
where:
bonds (distance) C4'-P energy: -137.959
bonds (distance) P-C4' energy: -132.662
flat angles C4'-P-C4' energy: -148.622
flat angles P-C4'-P energy: -92.644
tors. eta vs tors. theta energy: -177.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2211.202266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.202266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.202266 (E_RNA)
where:
Base-Base interactions energy: -1533.527
where: short stacking energy: -658.813
Base-Backbone interact. energy: -3.481
local terms energy: -674.194416
where:
bonds (distance) C4'-P energy: -113.465
bonds (distance) P-C4' energy: -129.421
flat angles C4'-P-C4' energy: -134.781
flat angles P-C4'-P energy: -104.872
tors. eta vs tors. theta energy: -191.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2159.410955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.410955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.410955 (E_RNA)
where:
Base-Base interactions energy: -1521.425
where: short stacking energy: -608.588
Base-Backbone interact. energy: 2.046
local terms energy: -640.031979
where:
bonds (distance) C4'-P energy: -105.580
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -142.590
flat angles P-C4'-P energy: -92.223
tors. eta vs tors. theta energy: -165.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1997.739424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.739424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.739424 (E_RNA)
where:
Base-Base interactions energy: -1339.721
where: short stacking energy: -565.744
Base-Backbone interact. energy: 1.155
local terms energy: -659.173535
where:
bonds (distance) C4'-P energy: -131.251
bonds (distance) P-C4' energy: -123.918
flat angles C4'-P-C4' energy: -148.722
flat angles P-C4'-P energy: -92.971
tors. eta vs tors. theta energy: -162.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1835.172494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.172494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.172494 (E_RNA)
where:
Base-Base interactions energy: -1245.345
where: short stacking energy: -532.161
Base-Backbone interact. energy: -0.827
local terms energy: -589.000171
where:
bonds (distance) C4'-P energy: -116.279
bonds (distance) P-C4' energy: -125.901
flat angles C4'-P-C4' energy: -139.503
flat angles P-C4'-P energy: -67.551
tors. eta vs tors. theta energy: -139.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1809.143718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.143718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.143718 (E_RNA)
where:
Base-Base interactions energy: -1240.834
where: short stacking energy: -505.347
Base-Backbone interact. energy: 0.539
local terms energy: -568.848694
where:
bonds (distance) C4'-P energy: -107.661
bonds (distance) P-C4' energy: -133.397
flat angles C4'-P-C4' energy: -124.279
flat angles P-C4'-P energy: -72.713
tors. eta vs tors. theta energy: -130.799
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: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1478.262004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.262004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.262004 (E_RNA)
where:
Base-Base interactions energy: -938.468
where: short stacking energy: -421.104
Base-Backbone interact. energy: -1.522
local terms energy: -538.272391
where:
bonds (distance) C4'-P energy: -122.434
bonds (distance) P-C4' energy: -115.223
flat angles C4'-P-C4' energy: -126.972
flat angles P-C4'-P energy: -58.156
tors. eta vs tors. theta energy: -115.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1273.891898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.891898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.891898 (E_RNA)
where:
Base-Base interactions energy: -839.511
where: short stacking energy: -405.148
Base-Backbone interact. energy: -3.294
local terms energy: -431.087147
where:
bonds (distance) C4'-P energy: -83.315
bonds (distance) P-C4' energy: -100.868
flat angles C4'-P-C4' energy: -113.342
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -82.496
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: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1132.964203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.964203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.964203 (E_RNA)
where:
Base-Base interactions energy: -680.681
where: short stacking energy: -317.332
Base-Backbone interact. energy: -0.826
local terms energy: -451.456622
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -126.079
flat angles C4'-P-C4' energy: -110.761
flat angles P-C4'-P energy: -73.322
tors. eta vs tors. theta energy: -40.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -524.445157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.445157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.445157 (E_RNA)
where:
Base-Base interactions energy: -210.160
where: short stacking energy: -153.605
Base-Backbone interact. energy: -0.251
local terms energy: -314.034407
where:
bonds (distance) C4'-P energy: -116.918
bonds (distance) P-C4' energy: -100.430
flat angles C4'-P-C4' energy: -77.972
flat angles P-C4'-P energy: -47.238
tors. eta vs tors. theta energy: 28.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2318.742885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.742885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.742885 (E_RNA)
where:
Base-Base interactions energy: -1594.246
where: short stacking energy: -661.738
Base-Backbone interact. energy: -4.061
local terms energy: -720.435863
where:
bonds (distance) C4'-P energy: -131.730
bonds (distance) P-C4' energy: -145.206
flat angles C4'-P-C4' energy: -159.673
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -186.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2214.227947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.227947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.227947 (E_RNA)
where:
Base-Base interactions energy: -1523.092
where: short stacking energy: -653.860
Base-Backbone interact. energy: -4.166
local terms energy: -686.969624
where:
bonds (distance) C4'-P energy: -130.169
bonds (distance) P-C4' energy: -136.003
flat angles C4'-P-C4' energy: -144.009
flat angles P-C4'-P energy: -84.344
tors. eta vs tors. theta energy: -192.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2194.655072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.655072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.655072 (E_RNA)
where:
Base-Base interactions energy: -1544.978
where: short stacking energy: -622.754
Base-Backbone interact. energy: -4.205
local terms energy: -645.472686
where:
bonds (distance) C4'-P energy: -111.470
bonds (distance) P-C4' energy: -117.783
flat angles C4'-P-C4' energy: -141.720
flat angles P-C4'-P energy: -108.628
tors. eta vs tors. theta energy: -165.872
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: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1984.442796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.442796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.442796 (E_RNA)
where:
Base-Base interactions energy: -1391.342
where: short stacking energy: -580.808
Base-Backbone interact. energy: -2.926
local terms energy: -590.174200
where:
bonds (distance) C4'-P energy: -113.215
bonds (distance) P-C4' energy: -122.492
flat angles C4'-P-C4' energy: -119.087
flat angles P-C4'-P energy: -69.934
tors. eta vs tors. theta energy: -165.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1855.904276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.904276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.904276 (E_RNA)
where:
Base-Base interactions energy: -1249.055
where: short stacking energy: -531.541
Base-Backbone interact. energy: -1.619
local terms energy: -605.230514
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -139.913
flat angles C4'-P-C4' energy: -139.804
flat angles P-C4'-P energy: -82.231
tors. eta vs tors. theta energy: -130.065
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: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1810.271592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.271592 (E_RNA)
where:
Base-Base interactions energy: -1280.037
where: short stacking energy: -564.007
Base-Backbone interact. energy: -1.047
local terms energy: -529.187388
where:
bonds (distance) C4'-P energy: -98.671
bonds (distance) P-C4' energy: -95.514
flat angles C4'-P-C4' energy: -127.259
flat angles P-C4'-P energy: -59.678
tors. eta vs tors. theta energy: -148.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1431.473278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.473278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.473278 (E_RNA)
where:
Base-Base interactions energy: -912.360
where: short stacking energy: -427.182
Base-Backbone interact. energy: 0.205
local terms energy: -519.319075
where:
bonds (distance) C4'-P energy: -115.083
bonds (distance) P-C4' energy: -120.255
flat angles C4'-P-C4' energy: -110.393
flat angles P-C4'-P energy: -72.702
tors. eta vs tors. theta energy: -100.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1235.389024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.389024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.389024 (E_RNA)
where:
Base-Base interactions energy: -787.614
where: short stacking energy: -353.539
Base-Backbone interact. energy: -0.705
local terms energy: -447.070468
where:
bonds (distance) C4'-P energy: -98.419
bonds (distance) P-C4' energy: -103.808
flat angles C4'-P-C4' energy: -118.347
flat angles P-C4'-P energy: -59.685
tors. eta vs tors. theta energy: -66.811
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1094.028713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.028713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.028713 (E_RNA)
where:
Base-Base interactions energy: -668.664
where: short stacking energy: -314.794
Base-Backbone interact. energy: -1.144
local terms energy: -424.220787
where:
bonds (distance) C4'-P energy: -114.304
bonds (distance) P-C4' energy: -112.434
flat angles C4'-P-C4' energy: -109.622
flat angles P-C4'-P energy: -53.108
tors. eta vs tors. theta energy: -34.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -526.169772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.169772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.169772 (E_RNA)
where:
Base-Base interactions energy: -163.844
where: short stacking energy: -142.610
Base-Backbone interact. energy: 1.262
local terms energy: -363.587039
where:
bonds (distance) C4'-P energy: -99.927
bonds (distance) P-C4' energy: -119.099
flat angles C4'-P-C4' energy: -108.383
flat angles P-C4'-P energy: -48.501
tors. eta vs tors. theta energy: 12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2335.459997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.459997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.459997 (E_RNA)
where:
Base-Base interactions energy: -1654.008
where: short stacking energy: -653.605
Base-Backbone interact. energy: -2.741
local terms energy: -678.711151
where:
bonds (distance) C4'-P energy: -131.342
bonds (distance) P-C4' energy: -125.604
flat angles C4'-P-C4' energy: -147.823
flat angles P-C4'-P energy: -94.983
tors. eta vs tors. theta energy: -178.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2180.355581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.355581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.355581 (E_RNA)
where:
Base-Base interactions energy: -1496.124
where: short stacking energy: -674.333
Base-Backbone interact. energy: -2.451
local terms energy: -681.779878
where:
bonds (distance) C4'-P energy: -133.543
bonds (distance) P-C4' energy: -128.027
flat angles C4'-P-C4' energy: -136.291
flat angles P-C4'-P energy: -96.302
tors. eta vs tors. theta energy: -187.617
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: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2156.884503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.884503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.884503 (E_RNA)
where:
Base-Base interactions energy: -1479.432
where: short stacking energy: -610.012
Base-Backbone interact. energy: -2.990
local terms energy: -674.462597
where:
bonds (distance) C4'-P energy: -133.591
bonds (distance) P-C4' energy: -121.841
flat angles C4'-P-C4' energy: -147.750
flat angles P-C4'-P energy: -91.246
tors. eta vs tors. theta energy: -180.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2062.042564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.042564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.042564 (E_RNA)
where:
Base-Base interactions energy: -1431.685
where: short stacking energy: -606.161
Base-Backbone interact. energy: -2.048
local terms energy: -628.309373
where:
bonds (distance) C4'-P energy: -113.993
bonds (distance) P-C4' energy: -113.505
flat angles C4'-P-C4' energy: -144.559
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -185.864
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: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1917.702049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.702049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.702049 (E_RNA)
where:
Base-Base interactions energy: -1307.859
where: short stacking energy: -578.748
Base-Backbone interact. energy: 0.531
local terms energy: -610.373836
where:
bonds (distance) C4'-P energy: -109.194
bonds (distance) P-C4' energy: -111.083
flat angles C4'-P-C4' energy: -139.821
flat angles P-C4'-P energy: -86.986
tors. eta vs tors. theta energy: -163.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1794.740322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.740322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.740322 (E_RNA)
where:
Base-Base interactions energy: -1214.385
where: short stacking energy: -521.478
Base-Backbone interact. energy: -1.498
local terms energy: -578.858157
where:
bonds (distance) C4'-P energy: -121.199
bonds (distance) P-C4' energy: -112.071
flat angles C4'-P-C4' energy: -125.581
flat angles P-C4'-P energy: -75.498
tors. eta vs tors. theta energy: -144.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1421.430954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.430954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.430954 (E_RNA)
where:
Base-Base interactions energy: -914.959
where: short stacking energy: -410.451
Base-Backbone interact. energy: -3.219
local terms energy: -503.253214
where:
bonds (distance) C4'-P energy: -109.482
bonds (distance) P-C4' energy: -123.761
flat angles C4'-P-C4' energy: -127.052
flat angles P-C4'-P energy: -61.146
tors. eta vs tors. theta energy: -81.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1251.414228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.414228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.414228 (E_RNA)
where:
Base-Base interactions energy: -768.969
where: short stacking energy: -343.251
Base-Backbone interact. energy: -3.127
local terms energy: -479.318664
where:
bonds (distance) C4'-P energy: -111.127
bonds (distance) P-C4' energy: -102.426
flat angles C4'-P-C4' energy: -108.886
flat angles P-C4'-P energy: -75.234
tors. eta vs tors. theta energy: -81.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1115.965580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.965580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.965580 (E_RNA)
where:
Base-Base interactions energy: -691.639
where: short stacking energy: -323.541
Base-Backbone interact. energy: 1.908
local terms energy: -426.234157
where:
bonds (distance) C4'-P energy: -89.184
bonds (distance) P-C4' energy: -109.824
flat angles C4'-P-C4' energy: -107.149
flat angles P-C4'-P energy: -62.699
tors. eta vs tors. theta energy: -57.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -671.783222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.783222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.783222 (E_RNA)
where:
Base-Base interactions energy: -287.467
where: short stacking energy: -173.506
Base-Backbone interact. energy: 1.215
local terms energy: -385.531820
where:
bonds (distance) C4'-P energy: -104.507
bonds (distance) P-C4' energy: -107.129
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -79.055
tors. eta vs tors. theta energy: 2.801
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: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2322.615929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.615929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.615929 (E_RNA)
where:
Base-Base interactions energy: -1596.076
where: short stacking energy: -672.511
Base-Backbone interact. energy: -0.494
local terms energy: -726.045418
where:
bonds (distance) C4'-P energy: -129.170
bonds (distance) P-C4' energy: -147.361
flat angles C4'-P-C4' energy: -158.511
flat angles P-C4'-P energy: -107.167
tors. eta vs tors. theta energy: -183.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2222.032474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.032474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.032474 (E_RNA)
where:
Base-Base interactions energy: -1567.505
where: short stacking energy: -650.633
Base-Backbone interact. energy: -2.459
local terms energy: -652.068867
where:
bonds (distance) C4'-P energy: -123.794
bonds (distance) P-C4' energy: -130.937
flat angles C4'-P-C4' energy: -145.419
flat angles P-C4'-P energy: -83.270
tors. eta vs tors. theta energy: -168.648
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: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2169.984454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.984454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.984454 (E_RNA)
where:
Base-Base interactions energy: -1473.954
where: short stacking energy: -649.642
Base-Backbone interact. energy: -5.046
local terms energy: -690.984379
where:
bonds (distance) C4'-P energy: -128.859
bonds (distance) P-C4' energy: -120.212
flat angles C4'-P-C4' energy: -152.191
flat angles P-C4'-P energy: -95.176
tors. eta vs tors. theta energy: -194.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2062.207292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.207292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.207292 (E_RNA)
where:
Base-Base interactions energy: -1419.217
where: short stacking energy: -591.064
Base-Backbone interact. energy: 1.503
local terms energy: -644.493899
where:
bonds (distance) C4'-P energy: -117.293
bonds (distance) P-C4' energy: -112.372
flat angles C4'-P-C4' energy: -136.938
flat angles P-C4'-P energy: -93.080
tors. eta vs tors. theta energy: -184.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1923.809245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.809245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.809245 (E_RNA)
where:
Base-Base interactions energy: -1318.838
where: short stacking energy: -565.387
Base-Backbone interact. energy: -1.912
local terms energy: -603.059197
where:
bonds (distance) C4'-P energy: -98.037
bonds (distance) P-C4' energy: -114.934
flat angles C4'-P-C4' energy: -137.697
flat angles P-C4'-P energy: -83.914
tors. eta vs tors. theta energy: -168.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1774.074068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.074068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.074068 (E_RNA)
where:
Base-Base interactions energy: -1204.088
where: short stacking energy: -511.287
Base-Backbone interact. energy: -2.030
local terms energy: -567.956093
where:
bonds (distance) C4'-P energy: -107.848
bonds (distance) P-C4' energy: -123.604
flat angles C4'-P-C4' energy: -124.987
flat angles P-C4'-P energy: -86.316
tors. eta vs tors. theta energy: -125.201
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: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1429.870200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.870200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.870200 (E_RNA)
where:
Base-Base interactions energy: -930.277
where: short stacking energy: -407.229
Base-Backbone interact. energy: 2.506
local terms energy: -502.098876
where:
bonds (distance) C4'-P energy: -113.962
bonds (distance) P-C4' energy: -119.333
flat angles C4'-P-C4' energy: -108.338
flat angles P-C4'-P energy: -66.253
tors. eta vs tors. theta energy: -94.213
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1293.800605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.800605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.800605 (E_RNA)
where:
Base-Base interactions energy: -819.111
where: short stacking energy: -372.424
Base-Backbone interact. energy: 0.093
local terms energy: -474.782465
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -92.399
flat angles C4'-P-C4' energy: -115.989
flat angles P-C4'-P energy: -83.311
tors. eta vs tors. theta energy: -80.275
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: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1090.763932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.763932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.763932 (E_RNA)
where:
Base-Base interactions energy: -656.903
where: short stacking energy: -301.022
Base-Backbone interact. energy: -2.063
local terms energy: -431.797597
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -116.289
flat angles P-C4'-P energy: -70.473
tors. eta vs tors. theta energy: -44.284
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: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -669.316432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.316432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.316432 (E_RNA)
where:
Base-Base interactions energy: -313.693
where: short stacking energy: -206.913
Base-Backbone interact. energy: 2.882
local terms energy: -358.506133
where:
bonds (distance) C4'-P energy: -98.144
bonds (distance) P-C4' energy: -133.640
flat angles C4'-P-C4' energy: -80.923
flat angles P-C4'-P energy: -46.312
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: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2316.511201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.511201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.511201 (E_RNA)
where:
Base-Base interactions energy: -1639.065
where: short stacking energy: -664.915
Base-Backbone interact. energy: -4.027
local terms energy: -673.419335
where:
bonds (distance) C4'-P energy: -116.143
bonds (distance) P-C4' energy: -130.883
flat angles C4'-P-C4' energy: -142.576
flat angles P-C4'-P energy: -105.146
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: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2231.388014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.388014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.388014 (E_RNA)
where:
Base-Base interactions energy: -1569.081
where: short stacking energy: -657.963
Base-Backbone interact. energy: -3.550
local terms energy: -658.757362
where:
bonds (distance) C4'-P energy: -133.341
bonds (distance) P-C4' energy: -120.195
flat angles C4'-P-C4' energy: -136.797
flat angles P-C4'-P energy: -94.015
tors. eta vs tors. theta energy: -174.409
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: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2173.513098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.513098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.513098 (E_RNA)
where:
Base-Base interactions energy: -1494.401
where: short stacking energy: -664.493
Base-Backbone interact. energy: -3.246
local terms energy: -675.865532
where:
bonds (distance) C4'-P energy: -126.960
bonds (distance) P-C4' energy: -125.875
flat angles C4'-P-C4' energy: -139.434
flat angles P-C4'-P energy: -89.748
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: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2035.860313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.860313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.860313 (E_RNA)
where:
Base-Base interactions energy: -1404.030
where: short stacking energy: -589.586
Base-Backbone interact. energy: -0.804
local terms energy: -631.026446
where:
bonds (distance) C4'-P energy: -112.520
bonds (distance) P-C4' energy: -109.137
flat angles C4'-P-C4' energy: -143.605
flat angles P-C4'-P energy: -104.081
tors. eta vs tors. theta energy: -161.683
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: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1922.452191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.452191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.452191 (E_RNA)
where:
Base-Base interactions energy: -1315.507
where: short stacking energy: -568.128
Base-Backbone interact. energy: -3.535
local terms energy: -603.410124
where:
bonds (distance) C4'-P energy: -102.364
bonds (distance) P-C4' energy: -126.316
flat angles C4'-P-C4' energy: -139.563
flat angles P-C4'-P energy: -77.054
tors. eta vs tors. theta energy: -158.112
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: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1830.377152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.377152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.377152 (E_RNA)
where:
Base-Base interactions energy: -1234.568
where: short stacking energy: -530.392
Base-Backbone interact. energy: -2.348
local terms energy: -593.460964
where:
bonds (distance) C4'-P energy: -119.338
bonds (distance) P-C4' energy: -130.364
flat angles C4'-P-C4' energy: -139.636
flat angles P-C4'-P energy: -66.089
tors. eta vs tors. theta energy: -138.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1441.151044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.151044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.151044 (E_RNA)
where:
Base-Base interactions energy: -953.147
where: short stacking energy: -406.461
Base-Backbone interact. energy: -0.375
local terms energy: -487.629223
where:
bonds (distance) C4'-P energy: -103.911
bonds (distance) P-C4' energy: -105.601
flat angles C4'-P-C4' energy: -121.341
flat angles P-C4'-P energy: -75.478
tors. eta vs tors. theta energy: -81.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1214.381365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.381365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.381365 (E_RNA)
where:
Base-Base interactions energy: -770.723
where: short stacking energy: -362.457
Base-Backbone interact. energy: -0.224
local terms energy: -443.434966
where:
bonds (distance) C4'-P energy: -100.910
bonds (distance) P-C4' energy: -91.324
flat angles C4'-P-C4' energy: -113.884
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -65.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1068.280989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.280989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.280989 (E_RNA)
where:
Base-Base interactions energy: -659.920
where: short stacking energy: -288.896
Base-Backbone interact. energy: -1.558
local terms energy: -406.803378
where:
bonds (distance) C4'-P energy: -107.729
bonds (distance) P-C4' energy: -100.272
flat angles C4'-P-C4' energy: -104.495
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -42.184
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: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -667.497245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.497245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.497245 (E_RNA)
where:
Base-Base interactions energy: -318.207
where: short stacking energy: -200.983
Base-Backbone interact. energy: 1.332
local terms energy: -350.622691
where:
bonds (distance) C4'-P energy: -97.172
bonds (distance) P-C4' energy: -108.810
flat angles C4'-P-C4' energy: -81.615
flat angles P-C4'-P energy: -52.891
tors. eta vs tors. theta energy: -10.135
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: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2298.515312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.515312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.515312 (E_RNA)
where:
Base-Base interactions energy: -1608.884
where: short stacking energy: -639.262
Base-Backbone interact. energy: -2.960
local terms energy: -686.671399
where:
bonds (distance) C4'-P energy: -127.131
bonds (distance) P-C4' energy: -133.207
flat angles C4'-P-C4' energy: -135.968
flat angles P-C4'-P energy: -114.793
tors. eta vs tors. theta energy: -175.572
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2272.239448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.239448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.239448 (E_RNA)
where:
Base-Base interactions energy: -1583.405
where: short stacking energy: -670.881
Base-Backbone interact. energy: -2.004
local terms energy: -686.830191
where:
bonds (distance) C4'-P energy: -136.654
bonds (distance) P-C4' energy: -127.601
flat angles C4'-P-C4' energy: -133.058
flat angles P-C4'-P energy: -103.000
tors. eta vs tors. theta energy: -186.517
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: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2189.357762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.357762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.357762 (E_RNA)
where:
Base-Base interactions energy: -1504.537
where: short stacking energy: -636.426
Base-Backbone interact. energy: 0.674
local terms energy: -685.494912
where:
bonds (distance) C4'-P energy: -117.362
bonds (distance) P-C4' energy: -147.430
flat angles C4'-P-C4' energy: -142.834
flat angles P-C4'-P energy: -96.732
tors. eta vs tors. theta energy: -181.137
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2049.484753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.484753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.484753 (E_RNA)
where:
Base-Base interactions energy: -1423.618
where: short stacking energy: -605.734
Base-Backbone interact. energy: -4.344
local terms energy: -621.522723
where:
bonds (distance) C4'-P energy: -105.163
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -133.984
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -175.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1878.198335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.198335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.198335 (E_RNA)
where:
Base-Base interactions energy: -1253.331
where: short stacking energy: -524.116
Base-Backbone interact. energy: 0.216
local terms energy: -625.083877
where:
bonds (distance) C4'-P energy: -118.196
bonds (distance) P-C4' energy: -119.971
flat angles C4'-P-C4' energy: -149.429
flat angles P-C4'-P energy: -86.059
tors. eta vs tors. theta energy: -151.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1803.370176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.370176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.370176 (E_RNA)
where:
Base-Base interactions energy: -1224.430
where: short stacking energy: -532.466
Base-Backbone interact. energy: -1.601
local terms energy: -577.338949
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -107.420
flat angles C4'-P-C4' energy: -139.995
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -139.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1422.435954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.435954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.435954 (E_RNA)
where:
Base-Base interactions energy: -930.152
where: short stacking energy: -417.736
Base-Backbone interact. energy: 1.786
local terms energy: -494.070493
where:
bonds (distance) C4'-P energy: -112.862
bonds (distance) P-C4' energy: -115.019
flat angles C4'-P-C4' energy: -104.417
flat angles P-C4'-P energy: -73.551
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: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1201.166357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.166357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.166357 (E_RNA)
where:
Base-Base interactions energy: -756.734
where: short stacking energy: -358.824
Base-Backbone interact. energy: 1.950
local terms energy: -446.382349
where:
bonds (distance) C4'-P energy: -104.611
bonds (distance) P-C4' energy: -100.115
flat angles C4'-P-C4' energy: -116.706
flat angles P-C4'-P energy: -67.980
tors. eta vs tors. theta energy: -56.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1151.834773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.834773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.834773 (E_RNA)
where:
Base-Base interactions energy: -720.258
where: short stacking energy: -325.860
Base-Backbone interact. energy: -1.546
local terms energy: -430.030657
where:
bonds (distance) C4'-P energy: -110.674
bonds (distance) P-C4' energy: -119.996
flat angles C4'-P-C4' energy: -91.664
flat angles P-C4'-P energy: -53.667
tors. eta vs tors. theta energy: -54.029
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: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -630.886256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.886256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.886256 (E_RNA)
where:
Base-Base interactions energy: -247.962
where: short stacking energy: -174.611
Base-Backbone interact. energy: 2.921
local terms energy: -385.846043
where:
bonds (distance) C4'-P energy: -120.844
bonds (distance) P-C4' energy: -106.264
flat angles C4'-P-C4' energy: -111.770
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: 8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2323.508493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.508493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.508493 (E_RNA)
where:
Base-Base interactions energy: -1642.983
where: short stacking energy: -673.124
Base-Backbone interact. energy: -0.526
local terms energy: -679.998780
where:
bonds (distance) C4'-P energy: -113.602
bonds (distance) P-C4' energy: -132.850
flat angles C4'-P-C4' energy: -150.598
flat angles P-C4'-P energy: -96.536
tors. eta vs tors. theta energy: -186.412
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: 400
Temperature: 0.950000
Total energy: -2216.431702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.431702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.431702 (E_RNA)
where:
Base-Base interactions energy: -1548.309
where: short stacking energy: -655.829
Base-Backbone interact. energy: -1.139
local terms energy: -666.984049
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -122.222
flat angles C4'-P-C4' energy: -156.183
flat angles P-C4'-P energy: -96.701
tors. eta vs tors. theta energy: -178.680
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: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2144.056490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.056490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.056490 (E_RNA)
where:
Base-Base interactions energy: -1492.629
where: short stacking energy: -647.305
Base-Backbone interact. energy: -1.737
local terms energy: -649.690205
where:
bonds (distance) C4'-P energy: -131.435
bonds (distance) P-C4' energy: -102.246
flat angles C4'-P-C4' energy: -137.018
flat angles P-C4'-P energy: -101.549
tors. eta vs tors. theta energy: -177.442
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: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2038.012019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.012019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.012019 (E_RNA)
where:
Base-Base interactions energy: -1410.160
where: short stacking energy: -625.893
Base-Backbone interact. energy: 1.700
local terms energy: -629.551450
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -132.321
flat angles C4'-P-C4' energy: -142.311
flat angles P-C4'-P energy: -82.431
tors. eta vs tors. theta energy: -178.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1889.342341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.342341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.342341 (E_RNA)
where:
Base-Base interactions energy: -1263.366
where: short stacking energy: -569.833
Base-Backbone interact. energy: 1.998
local terms energy: -627.973926
where:
bonds (distance) C4'-P energy: -114.307
bonds (distance) P-C4' energy: -115.047
flat angles C4'-P-C4' energy: -141.128
flat angles P-C4'-P energy: -91.609
tors. eta vs tors. theta energy: -165.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1823.877349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.877349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.877349 (E_RNA)
where:
Base-Base interactions energy: -1253.289
where: short stacking energy: -517.990
Base-Backbone interact. energy: 0.764
local terms energy: -571.352642
where:
bonds (distance) C4'-P energy: -120.400
bonds (distance) P-C4' energy: -117.895
flat angles C4'-P-C4' energy: -123.421
flat angles P-C4'-P energy: -81.649
tors. eta vs tors. theta energy: -127.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1412.149668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.149668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.149668 (E_RNA)
where:
Base-Base interactions energy: -917.695
where: short stacking energy: -392.895
Base-Backbone interact. energy: 1.768
local terms energy: -496.223002
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -110.267
flat angles C4'-P-C4' energy: -122.404
flat angles P-C4'-P energy: -75.259
tors. eta vs tors. theta energy: -88.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1224.745960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.745960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.745960 (E_RNA)
where:
Base-Base interactions energy: -757.713
where: short stacking energy: -363.074
Base-Backbone interact. energy: 1.736
local terms energy: -468.769330
where:
bonds (distance) C4'-P energy: -113.729
bonds (distance) P-C4' energy: -110.887
flat angles C4'-P-C4' energy: -114.747
flat angles P-C4'-P energy: -64.492
tors. eta vs tors. theta energy: -64.914
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: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1087.175998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.175998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.175998 (E_RNA)
where:
Base-Base interactions energy: -657.041
where: short stacking energy: -298.642
Base-Backbone interact. energy: -0.830
local terms energy: -429.305138
where:
bonds (distance) C4'-P energy: -101.211
bonds (distance) P-C4' energy: -111.786
flat angles C4'-P-C4' energy: -109.067
flat angles P-C4'-P energy: -66.579
tors. eta vs tors. theta energy: -40.662
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: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -581.236190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.236190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.236190 (E_RNA)
where:
Base-Base interactions energy: -233.571
where: short stacking energy: -173.969
Base-Backbone interact. energy: -2.720
local terms energy: -344.944552
where:
bonds (distance) C4'-P energy: -107.562
bonds (distance) P-C4' energy: -103.994
flat angles C4'-P-C4' energy: -91.389
flat angles P-C4'-P energy: -66.498
tors. eta vs tors. theta energy: 24.498
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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2297.288566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.288566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.288566 (E_RNA)
where:
Base-Base interactions energy: -1601.402
where: short stacking energy: -659.470
Base-Backbone interact. energy: -1.925
local terms energy: -693.960671
where:
bonds (distance) C4'-P energy: -133.457
bonds (distance) P-C4' energy: -138.272
flat angles C4'-P-C4' energy: -158.361
flat angles P-C4'-P energy: -90.476
tors. eta vs tors. theta energy: -173.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2230.696194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.696194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.696194 (E_RNA)
where:
Base-Base interactions energy: -1561.656
where: short stacking energy: -659.838
Base-Backbone interact. energy: 1.198
local terms energy: -670.238566
where:
bonds (distance) C4'-P energy: -121.385
bonds (distance) P-C4' energy: -116.650
flat angles C4'-P-C4' energy: -145.071
flat angles P-C4'-P energy: -97.526
tors. eta vs tors. theta energy: -189.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2134.913250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.913250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.913250 (E_RNA)
where:
Base-Base interactions energy: -1475.738
where: short stacking energy: -649.545
Base-Backbone interact. energy: -0.921
local terms energy: -658.253952
where:
bonds (distance) C4'-P energy: -123.637
bonds (distance) P-C4' energy: -117.154
flat angles C4'-P-C4' energy: -139.817
flat angles P-C4'-P energy: -96.525
tors. eta vs tors. theta energy: -181.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2083.304517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.304517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.304517 (E_RNA)
where:
Base-Base interactions energy: -1436.446
where: short stacking energy: -593.950
Base-Backbone interact. energy: 2.507
local terms energy: -649.364889
where:
bonds (distance) C4'-P energy: -129.212
bonds (distance) P-C4' energy: -126.070
flat angles C4'-P-C4' energy: -139.304
flat angles P-C4'-P energy: -81.172
tors. eta vs tors. theta energy: -173.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1903.746120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.746120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.746120 (E_RNA)
where:
Base-Base interactions energy: -1304.990
where: short stacking energy: -573.281
Base-Backbone interact. energy: -2.186
local terms energy: -596.570132
where:
bonds (distance) C4'-P energy: -108.925
bonds (distance) P-C4' energy: -103.410
flat angles C4'-P-C4' energy: -142.408
flat angles P-C4'-P energy: -86.532
tors. eta vs tors. theta energy: -155.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1855.378628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.378628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.378628 (E_RNA)
where:
Base-Base interactions energy: -1250.590
where: short stacking energy: -529.174
Base-Backbone interact. energy: -2.625
local terms energy: -602.163737
where:
bonds (distance) C4'-P energy: -106.015
bonds (distance) P-C4' energy: -113.888
flat angles C4'-P-C4' energy: -150.216
flat angles P-C4'-P energy: -94.402
tors. eta vs tors. theta energy: -137.643
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: 401
Temperature: 1.200000
Total energy: -1395.269100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.269100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.269100 (E_RNA)
where:
Base-Base interactions energy: -909.023
where: short stacking energy: -405.427
Base-Backbone interact. energy: -2.054
local terms energy: -484.192062
where:
bonds (distance) C4'-P energy: -115.981
bonds (distance) P-C4' energy: -114.245
flat angles C4'-P-C4' energy: -106.513
flat angles P-C4'-P energy: -74.877
tors. eta vs tors. theta energy: -72.576
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1192.698132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.698132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.698132 (E_RNA)
where:
Base-Base interactions energy: -752.681
where: short stacking energy: -339.599
Base-Backbone interact. energy: 2.496
local terms energy: -442.513252
where:
bonds (distance) C4'-P energy: -94.961
bonds (distance) P-C4' energy: -111.207
flat angles C4'-P-C4' energy: -108.099
flat angles P-C4'-P energy: -76.433
tors. eta vs tors. theta energy: -51.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1081.950113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.950113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.950113 (E_RNA)
where:
Base-Base interactions energy: -653.793
where: short stacking energy: -298.666
Base-Backbone interact. energy: 5.506
local terms energy: -433.662518
where:
bonds (distance) C4'-P energy: -118.232
bonds (distance) P-C4' energy: -110.873
flat angles C4'-P-C4' energy: -95.260
flat angles P-C4'-P energy: -68.729
tors. eta vs tors. theta energy: -40.568
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: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -630.998820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.998820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.998820 (E_RNA)
where:
Base-Base interactions energy: -291.425
where: short stacking energy: -203.758
Base-Backbone interact. energy: 4.197
local terms energy: -343.771066
where:
bonds (distance) C4'-P energy: -107.796
bonds (distance) P-C4' energy: -95.187
flat angles C4'-P-C4' energy: -87.486
flat angles P-C4'-P energy: -53.891
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: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2307.072674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.072674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.072674 (E_RNA)
where:
Base-Base interactions energy: -1613.296
where: short stacking energy: -652.952
Base-Backbone interact. energy: -6.553
local terms energy: -687.223865
where:
bonds (distance) C4'-P energy: -135.270
bonds (distance) P-C4' energy: -126.800
flat angles C4'-P-C4' energy: -143.008
flat angles P-C4'-P energy: -107.811
tors. eta vs tors. theta energy: -174.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2249.045919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.045919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.045919 (E_RNA)
where:
Base-Base interactions energy: -1574.856
where: short stacking energy: -668.133
Base-Backbone interact. energy: -3.217
local terms energy: -670.972764
where:
bonds (distance) C4'-P energy: -125.757
bonds (distance) P-C4' energy: -129.172
flat angles C4'-P-C4' energy: -141.495
flat angles P-C4'-P energy: -96.609
tors. eta vs tors. theta energy: -177.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2154.181880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.181880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.181880 (E_RNA)
where:
Base-Base interactions energy: -1479.236
where: short stacking energy: -628.037
Base-Backbone interact. energy: -1.532
local terms energy: -673.414244
where:
bonds (distance) C4'-P energy: -134.184
bonds (distance) P-C4' energy: -127.411
flat angles C4'-P-C4' energy: -137.355
flat angles P-C4'-P energy: -92.841
tors. eta vs tors. theta energy: -181.622
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2062.407888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.407888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.407888 (E_RNA)
where:
Base-Base interactions energy: -1435.526
where: short stacking energy: -609.464
Base-Backbone interact. energy: -3.730
local terms energy: -623.152820
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -108.518
flat angles C4'-P-C4' energy: -140.752
flat angles P-C4'-P energy: -89.460
tors. eta vs tors. theta energy: -179.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1895.504854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.504854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.504854 (E_RNA)
where:
Base-Base interactions energy: -1293.262
where: short stacking energy: -554.330
Base-Backbone interact. energy: 0.164
local terms energy: -602.407465
where:
bonds (distance) C4'-P energy: -113.561
bonds (distance) P-C4' energy: -127.010
flat angles C4'-P-C4' energy: -141.106
flat angles P-C4'-P energy: -70.920
tors. eta vs tors. theta energy: -149.810
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1813.908718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.908718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.908718 (E_RNA)
where:
Base-Base interactions energy: -1189.018
where: short stacking energy: -527.778
Base-Backbone interact. energy: -2.440
local terms energy: -622.450404
where:
bonds (distance) C4'-P energy: -113.651
bonds (distance) P-C4' energy: -129.561
flat angles C4'-P-C4' energy: -134.709
flat angles P-C4'-P energy: -88.005
tors. eta vs tors. theta energy: -156.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1429.224949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.224949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.224949 (E_RNA)
where:
Base-Base interactions energy: -927.399
where: short stacking energy: -411.243
Base-Backbone interact. energy: -1.739
local terms energy: -500.087564
where:
bonds (distance) C4'-P energy: -116.404
bonds (distance) P-C4' energy: -105.294
flat angles C4'-P-C4' energy: -124.874
flat angles P-C4'-P energy: -76.750
tors. eta vs tors. theta energy: -76.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1207.252445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.252445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.252445 (E_RNA)
where:
Base-Base interactions energy: -752.238
where: short stacking energy: -344.439
Base-Backbone interact. energy: -1.169
local terms energy: -453.845412
where:
bonds (distance) C4'-P energy: -123.090
bonds (distance) P-C4' energy: -105.655
flat angles C4'-P-C4' energy: -105.420
flat angles P-C4'-P energy: -64.317
tors. eta vs tors. theta energy: -55.363
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: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1105.669070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.669070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.669070 (E_RNA)
where:
Base-Base interactions energy: -678.575
where: short stacking energy: -318.999
Base-Backbone interact. energy: 2.012
local terms energy: -429.105959
where:
bonds (distance) C4'-P energy: -99.329
bonds (distance) P-C4' energy: -100.672
flat angles C4'-P-C4' energy: -119.907
flat angles P-C4'-P energy: -66.593
tors. eta vs tors. theta energy: -42.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -628.435947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.435947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.435947 (E_RNA)
where:
Base-Base interactions energy: -279.673
where: short stacking energy: -185.135
Base-Backbone interact. energy: -2.021
local terms energy: -346.742309
where:
bonds (distance) C4'-P energy: -91.230
bonds (distance) P-C4' energy: -94.504
flat angles C4'-P-C4' energy: -88.746
flat angles P-C4'-P energy: -80.395
tors. eta vs tors. theta energy: 8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2314.529356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.529356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.529356 (E_RNA)
where:
Base-Base interactions energy: -1609.395
where: short stacking energy: -632.577
Base-Backbone interact. energy: -3.065
local terms energy: -702.069416
where:
bonds (distance) C4'-P energy: -132.291
bonds (distance) P-C4' energy: -126.886
flat angles C4'-P-C4' energy: -148.651
flat angles P-C4'-P energy: -104.209
tors. eta vs tors. theta energy: -190.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2248.394366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.394366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.394366 (E_RNA)
where:
Base-Base interactions energy: -1560.034
where: short stacking energy: -621.680
Base-Backbone interact. energy: -0.559
local terms energy: -687.801602
where:
bonds (distance) C4'-P energy: -131.320
bonds (distance) P-C4' energy: -139.607
flat angles C4'-P-C4' energy: -148.783
flat angles P-C4'-P energy: -92.554
tors. eta vs tors. theta energy: -175.537
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: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2131.102962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.102962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.102962 (E_RNA)
where:
Base-Base interactions energy: -1439.460
where: short stacking energy: -629.433
Base-Backbone interact. energy: -4.305
local terms energy: -687.338483
where:
bonds (distance) C4'-P energy: -119.899
bonds (distance) P-C4' energy: -128.831
flat angles C4'-P-C4' energy: -153.997
flat angles P-C4'-P energy: -95.293
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: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2090.182620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.182620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.182620 (E_RNA)
where:
Base-Base interactions energy: -1471.820
where: short stacking energy: -637.607
Base-Backbone interact. energy: -0.651
local terms energy: -617.712474
where:
bonds (distance) C4'-P energy: -106.631
bonds (distance) P-C4' energy: -116.736
flat angles C4'-P-C4' energy: -135.517
flat angles P-C4'-P energy: -80.728
tors. eta vs tors. theta energy: -178.100
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1863.468441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.468441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.468441 (E_RNA)
where:
Base-Base interactions energy: -1265.097
where: short stacking energy: -545.104
Base-Backbone interact. energy: -2.017
local terms energy: -596.355116
where:
bonds (distance) C4'-P energy: -114.606
bonds (distance) P-C4' energy: -122.532
flat angles C4'-P-C4' energy: -133.403
flat angles P-C4'-P energy: -80.894
tors. eta vs tors. theta energy: -144.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1827.526291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.526291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.526291 (E_RNA)
where:
Base-Base interactions energy: -1241.346
where: short stacking energy: -568.757
Base-Backbone interact. energy: -1.795
local terms energy: -584.385462
where:
bonds (distance) C4'-P energy: -109.832
bonds (distance) P-C4' energy: -106.569
flat angles C4'-P-C4' energy: -125.192
flat angles P-C4'-P energy: -79.050
tors. eta vs tors. theta energy: -163.742
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: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1419.057256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.057256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.057256 (E_RNA)
where:
Base-Base interactions energy: -906.409
where: short stacking energy: -388.838
Base-Backbone interact. energy: -1.169
local terms energy: -511.479176
where:
bonds (distance) C4'-P energy: -113.480
bonds (distance) P-C4' energy: -130.258
flat angles C4'-P-C4' energy: -115.408
flat angles P-C4'-P energy: -73.474
tors. eta vs tors. theta energy: -78.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1240.485769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.485769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.485769 (E_RNA)
where:
Base-Base interactions energy: -794.135
where: short stacking energy: -373.815
Base-Backbone interact. energy: 1.197
local terms energy: -447.547572
where:
bonds (distance) C4'-P energy: -100.792
bonds (distance) P-C4' energy: -103.592
flat angles C4'-P-C4' energy: -110.554
flat angles P-C4'-P energy: -80.358
tors. eta vs tors. theta energy: -52.252
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: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1055.388425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.388425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.388425 (E_RNA)
where:
Base-Base interactions energy: -635.281
where: short stacking energy: -302.070
Base-Backbone interact. energy: -1.147
local terms energy: -418.960399
where:
bonds (distance) C4'-P energy: -117.243
bonds (distance) P-C4' energy: -108.957
flat angles C4'-P-C4' energy: -102.557
flat angles P-C4'-P energy: -57.040
tors. eta vs tors. theta energy: -33.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -691.218171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.218171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.218171 (E_RNA)
where:
Base-Base interactions energy: -300.014
where: short stacking energy: -179.478
Base-Backbone interact. energy: 0.756
local terms energy: -391.960278
where:
bonds (distance) C4'-P energy: -114.027
bonds (distance) P-C4' energy: -115.902
flat angles C4'-P-C4' energy: -100.879
flat angles P-C4'-P energy: -64.924
tors. eta vs tors. theta energy: 3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2328.575409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.575409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.575409 (E_RNA)
where:
Base-Base interactions energy: -1627.278
where: short stacking energy: -662.604
Base-Backbone interact. energy: -2.882
local terms energy: -698.414705
where:
bonds (distance) C4'-P energy: -128.224
bonds (distance) P-C4' energy: -143.197
flat angles C4'-P-C4' energy: -150.104
flat angles P-C4'-P energy: -98.993
tors. eta vs tors. theta energy: -177.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2261.195564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.195564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.195564 (E_RNA)
where:
Base-Base interactions energy: -1589.241
where: short stacking energy: -632.363
Base-Backbone interact. energy: -1.809
local terms energy: -670.145591
where:
bonds (distance) C4'-P energy: -142.375
bonds (distance) P-C4' energy: -115.059
flat angles C4'-P-C4' energy: -153.380
flat angles P-C4'-P energy: -89.711
tors. eta vs tors. theta energy: -169.621
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: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2144.534527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.534527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.534527 (E_RNA)
where:
Base-Base interactions energy: -1447.048
where: short stacking energy: -643.178
Base-Backbone interact. energy: -3.896
local terms energy: -693.590029
where:
bonds (distance) C4'-P energy: -148.936
bonds (distance) P-C4' energy: -121.553
flat angles C4'-P-C4' energy: -143.634
flat angles P-C4'-P energy: -93.459
tors. eta vs tors. theta energy: -186.008
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: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2050.760380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.760380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.760380 (E_RNA)
where:
Base-Base interactions energy: -1411.356
where: short stacking energy: -584.219
Base-Backbone interact. energy: 1.308
local terms energy: -640.712397
where:
bonds (distance) C4'-P energy: -126.586
bonds (distance) P-C4' energy: -133.115
flat angles C4'-P-C4' energy: -138.409
flat angles P-C4'-P energy: -87.233
tors. eta vs tors. theta energy: -155.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1904.179657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.179657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.179657 (E_RNA)
where:
Base-Base interactions energy: -1274.563
where: short stacking energy: -548.475
Base-Backbone interact. energy: -3.162
local terms energy: -626.454631
where:
bonds (distance) C4'-P energy: -124.306
bonds (distance) P-C4' energy: -119.539
flat angles C4'-P-C4' energy: -133.513
flat angles P-C4'-P energy: -93.383
tors. eta vs tors. theta energy: -155.713
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: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1805.041014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.041014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.041014 (E_RNA)
where:
Base-Base interactions energy: -1205.829
where: short stacking energy: -521.499
Base-Backbone interact. energy: -2.816
local terms energy: -596.395834
where:
bonds (distance) C4'-P energy: -115.977
bonds (distance) P-C4' energy: -103.741
flat angles C4'-P-C4' energy: -137.805
flat angles P-C4'-P energy: -86.878
tors. eta vs tors. theta energy: -151.995
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: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1388.286516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.286516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.286516 (E_RNA)
where:
Base-Base interactions energy: -906.457
where: short stacking energy: -417.090
Base-Backbone interact. energy: 3.263
local terms energy: -485.092298
where:
bonds (distance) C4'-P energy: -121.881
bonds (distance) P-C4' energy: -102.859
flat angles C4'-P-C4' energy: -117.162
flat angles P-C4'-P energy: -74.560
tors. eta vs tors. theta energy: -68.631
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1209.737471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.737471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.737471 (E_RNA)
where:
Base-Base interactions energy: -779.385
where: short stacking energy: -327.240
Base-Backbone interact. energy: -1.833
local terms energy: -428.519624
where:
bonds (distance) C4'-P energy: -102.768
bonds (distance) P-C4' energy: -104.192
flat angles C4'-P-C4' energy: -116.673
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -40.052
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: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1135.435547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.435547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.435547 (E_RNA)
where:
Base-Base interactions energy: -700.054
where: short stacking energy: -316.763
Base-Backbone interact. energy: -2.668
local terms energy: -432.713846
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -96.716
flat angles C4'-P-C4' energy: -102.378
flat angles P-C4'-P energy: -73.613
tors. eta vs tors. theta energy: -63.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -702.433187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.433187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.433187 (E_RNA)
where:
Base-Base interactions energy: -369.603
where: short stacking energy: -209.948
Base-Backbone interact. energy: 7.305
local terms energy: -340.134791
where:
bonds (distance) C4'-P energy: -92.968
bonds (distance) P-C4' energy: -112.882
flat angles C4'-P-C4' energy: -75.043
flat angles P-C4'-P energy: -52.439
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2315.772415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.772415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.772415 (E_RNA)
where:
Base-Base interactions energy: -1638.821
where: short stacking energy: -661.510
Base-Backbone interact. energy: -0.835
local terms energy: -676.117196
where:
bonds (distance) C4'-P energy: -134.566
bonds (distance) P-C4' energy: -120.892
flat angles C4'-P-C4' energy: -145.707
flat angles P-C4'-P energy: -95.100
tors. eta vs tors. theta energy: -179.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2230.179586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.179586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.179586 (E_RNA)
where:
Base-Base interactions energy: -1584.807
where: short stacking energy: -645.942
Base-Backbone interact. energy: -4.309
local terms energy: -641.064016
where:
bonds (distance) C4'-P energy: -118.549
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -136.729
flat angles P-C4'-P energy: -82.377
tors. eta vs tors. theta energy: -176.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2112.262566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.262566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.262566 (E_RNA)
where:
Base-Base interactions energy: -1449.614
where: short stacking energy: -623.882
Base-Backbone interact. energy: -2.606
local terms energy: -660.042423
where:
bonds (distance) C4'-P energy: -108.113
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -140.594
flat angles P-C4'-P energy: -96.225
tors. eta vs tors. theta energy: -184.920
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: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2049.970467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.970467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.970467 (E_RNA)
where:
Base-Base interactions energy: -1415.032
where: short stacking energy: -607.544
Base-Backbone interact. energy: 1.349
local terms energy: -636.288065
where:
bonds (distance) C4'-P energy: -121.245
bonds (distance) P-C4' energy: -113.082
flat angles C4'-P-C4' energy: -138.751
flat angles P-C4'-P energy: -93.074
tors. eta vs tors. theta energy: -170.136
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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1881.095162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.095162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.095162 (E_RNA)
where:
Base-Base interactions energy: -1280.686
where: short stacking energy: -546.861
Base-Backbone interact. energy: -2.684
local terms energy: -597.725716
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -124.555
flat angles C4'-P-C4' energy: -127.317
flat angles P-C4'-P energy: -86.896
tors. eta vs tors. theta energy: -146.459
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: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1749.813040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.813040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.813040 (E_RNA)
where:
Base-Base interactions energy: -1181.113
where: short stacking energy: -514.644
Base-Backbone interact. energy: -2.251
local terms energy: -566.448951
where:
bonds (distance) C4'-P energy: -106.797
bonds (distance) P-C4' energy: -118.902
flat angles C4'-P-C4' energy: -127.549
flat angles P-C4'-P energy: -85.006
tors. eta vs tors. theta energy: -128.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1368.090604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.090604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.090604 (E_RNA)
where:
Base-Base interactions energy: -878.623
where: short stacking energy: -380.228
Base-Backbone interact. energy: 1.823
local terms energy: -491.289951
where:
bonds (distance) C4'-P energy: -107.057
bonds (distance) P-C4' energy: -99.835
flat angles C4'-P-C4' energy: -129.073
flat angles P-C4'-P energy: -73.322
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1178.729327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.729327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.729327 (E_RNA)
where:
Base-Base interactions energy: -788.737
where: short stacking energy: -321.088
Base-Backbone interact. energy: -1.632
local terms energy: -388.359381
where:
bonds (distance) C4'-P energy: -109.080
bonds (distance) P-C4' energy: -107.958
flat angles C4'-P-C4' energy: -105.709
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -30.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1076.903789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.903789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.903789 (E_RNA)
where:
Base-Base interactions energy: -669.112
where: short stacking energy: -307.172
Base-Backbone interact. energy: 6.135
local terms energy: -413.926828
where:
bonds (distance) C4'-P energy: -90.636
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -102.104
flat angles P-C4'-P energy: -64.223
tors. eta vs tors. theta energy: -37.996
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: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -662.294969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.294969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.294969 (E_RNA)
where:
Base-Base interactions energy: -329.240
where: short stacking energy: -197.058
Base-Backbone interact. energy: 6.031
local terms energy: -339.085260
where:
bonds (distance) C4'-P energy: -95.109
bonds (distance) P-C4' energy: -110.030
flat angles C4'-P-C4' energy: -93.067
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: 9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2270.403788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.403788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.403788 (E_RNA)
where:
Base-Base interactions energy: -1579.388
where: short stacking energy: -653.077
Base-Backbone interact. energy: -6.477
local terms energy: -684.538854
where:
bonds (distance) C4'-P energy: -109.809
bonds (distance) P-C4' energy: -139.835
flat angles C4'-P-C4' energy: -149.232
flat angles P-C4'-P energy: -114.853
tors. eta vs tors. theta energy: -170.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2253.006270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.006270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.006270 (E_RNA)
where:
Base-Base interactions energy: -1572.632
where: short stacking energy: -635.248
Base-Backbone interact. energy: -3.309
local terms energy: -677.065145
where:
bonds (distance) C4'-P energy: -124.548
bonds (distance) P-C4' energy: -131.967
flat angles C4'-P-C4' energy: -143.850
flat angles P-C4'-P energy: -107.402
tors. eta vs tors. theta energy: -169.298
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: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2161.319337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.319337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.319337 (E_RNA)
where:
Base-Base interactions energy: -1481.705
where: short stacking energy: -669.038
Base-Backbone interact. energy: -2.190
local terms energy: -677.424320
where:
bonds (distance) C4'-P energy: -116.178
bonds (distance) P-C4' energy: -127.669
flat angles C4'-P-C4' energy: -147.844
flat angles P-C4'-P energy: -93.524
tors. eta vs tors. theta energy: -192.209
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: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2035.543861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.543861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.543861 (E_RNA)
where:
Base-Base interactions energy: -1395.662
where: short stacking energy: -600.677
Base-Backbone interact. energy: 1.621
local terms energy: -641.502181
where:
bonds (distance) C4'-P energy: -126.764
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -136.672
flat angles P-C4'-P energy: -95.808
tors. eta vs tors. theta energy: -170.628
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: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1913.549314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.549314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.549314 (E_RNA)
where:
Base-Base interactions energy: -1289.588
where: short stacking energy: -550.584
Base-Backbone interact. energy: -1.930
local terms energy: -622.031862
where:
bonds (distance) C4'-P energy: -121.034
bonds (distance) P-C4' energy: -121.072
flat angles C4'-P-C4' energy: -131.721
flat angles P-C4'-P energy: -89.193
tors. eta vs tors. theta energy: -159.012
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: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1777.270927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.270927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.270927 (E_RNA)
where:
Base-Base interactions energy: -1186.968
where: short stacking energy: -529.982
Base-Backbone interact. energy: -0.264
local terms energy: -590.039558
where:
bonds (distance) C4'-P energy: -101.331
bonds (distance) P-C4' energy: -121.442
flat angles C4'-P-C4' energy: -133.430
flat angles P-C4'-P energy: -96.578
tors. eta vs tors. theta energy: -137.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1340.974012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.974012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.974012 (E_RNA)
where:
Base-Base interactions energy: -863.927
where: short stacking energy: -411.597
Base-Backbone interact. energy: 0.619
local terms energy: -477.665696
where:
bonds (distance) C4'-P energy: -99.564
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -124.260
flat angles P-C4'-P energy: -54.137
tors. eta vs tors. theta energy: -86.690
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1297.195445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.195445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.195445 (E_RNA)
where:
Base-Base interactions energy: -839.499
where: short stacking energy: -398.363
Base-Backbone interact. energy: -3.821
local terms energy: -453.875616
where:
bonds (distance) C4'-P energy: -116.867
bonds (distance) P-C4' energy: -95.599
flat angles C4'-P-C4' energy: -99.516
flat angles P-C4'-P energy: -59.902
tors. eta vs tors. theta energy: -81.991
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1074.727093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.727093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.727093 (E_RNA)
where:
Base-Base interactions energy: -665.064
where: short stacking energy: -309.901
Base-Backbone interact. energy: -0.507
local terms energy: -409.156630
where:
bonds (distance) C4'-P energy: -102.061
bonds (distance) P-C4' energy: -112.330
flat angles C4'-P-C4' energy: -81.749
flat angles P-C4'-P energy: -60.477
tors. eta vs tors. theta energy: -52.539
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: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -690.118785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.118785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.118785 (E_RNA)
where:
Base-Base interactions energy: -341.570
where: short stacking energy: -199.493
Base-Backbone interact. energy: -2.052
local terms energy: -346.496715
where:
bonds (distance) C4'-P energy: -99.753
bonds (distance) P-C4' energy: -114.095
flat angles C4'-P-C4' energy: -88.872
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2297.174812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.174812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.174812 (E_RNA)
where:
Base-Base interactions energy: -1569.433
where: short stacking energy: -666.652
Base-Backbone interact. energy: -5.028
local terms energy: -722.713135
where:
bonds (distance) C4'-P energy: -131.170
bonds (distance) P-C4' energy: -130.569
flat angles C4'-P-C4' energy: -164.104
flat angles P-C4'-P energy: -114.310
tors. eta vs tors. theta energy: -182.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2238.204764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.204764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.204764 (E_RNA)
where:
Base-Base interactions energy: -1582.601
where: short stacking energy: -640.190
Base-Backbone interact. energy: 1.006
local terms energy: -656.609664
where:
bonds (distance) C4'-P energy: -123.090
bonds (distance) P-C4' energy: -128.216
flat angles C4'-P-C4' energy: -134.864
flat angles P-C4'-P energy: -100.690
tors. eta vs tors. theta energy: -169.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2189.453223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.453223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.453223 (E_RNA)
where:
Base-Base interactions energy: -1490.277
where: short stacking energy: -666.390
Base-Backbone interact. energy: -2.071
local terms energy: -697.104891
where:
bonds (distance) C4'-P energy: -115.244
bonds (distance) P-C4' energy: -130.645
flat angles C4'-P-C4' energy: -150.577
flat angles P-C4'-P energy: -101.811
tors. eta vs tors. theta energy: -198.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2040.931775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.931775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.931775 (E_RNA)
where:
Base-Base interactions energy: -1398.751
where: short stacking energy: -599.323
Base-Backbone interact. energy: -1.507
local terms energy: -640.673703
where:
bonds (distance) C4'-P energy: -107.817
bonds (distance) P-C4' energy: -127.851
flat angles C4'-P-C4' energy: -136.744
flat angles P-C4'-P energy: -92.414
tors. eta vs tors. theta energy: -175.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1941.447250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.447250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.447250 (E_RNA)
where:
Base-Base interactions energy: -1289.366
where: short stacking energy: -538.756
Base-Backbone interact. energy: -2.866
local terms energy: -649.214939
where:
bonds (distance) C4'-P energy: -121.131
bonds (distance) P-C4' energy: -136.969
flat angles C4'-P-C4' energy: -149.175
flat angles P-C4'-P energy: -96.240
tors. eta vs tors. theta energy: -145.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1788.241763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.241763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.241763 (E_RNA)
where:
Base-Base interactions energy: -1221.474
where: short stacking energy: -566.355
Base-Backbone interact. energy: 0.727
local terms energy: -567.494917
where:
bonds (distance) C4'-P energy: -111.825
bonds (distance) P-C4' energy: -118.201
flat angles C4'-P-C4' energy: -121.258
flat angles P-C4'-P energy: -77.375
tors. eta vs tors. theta energy: -138.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1381.941989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.941989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.941989 (E_RNA)
where:
Base-Base interactions energy: -873.020
where: short stacking energy: -397.693
Base-Backbone interact. energy: -0.069
local terms energy: -508.852632
where:
bonds (distance) C4'-P energy: -107.515
bonds (distance) P-C4' energy: -116.252
flat angles C4'-P-C4' energy: -122.310
flat angles P-C4'-P energy: -83.400
tors. eta vs tors. theta energy: -79.376
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: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1313.595667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.595667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.595667 (E_RNA)
where:
Base-Base interactions energy: -837.108
where: short stacking energy: -410.364
Base-Backbone interact. energy: 3.171
local terms energy: -479.658921
where:
bonds (distance) C4'-P energy: -99.858
bonds (distance) P-C4' energy: -117.791
flat angles C4'-P-C4' energy: -109.508
flat angles P-C4'-P energy: -68.192
tors. eta vs tors. theta energy: -84.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1127.377477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.377477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.377477 (E_RNA)
where:
Base-Base interactions energy: -634.202
where: short stacking energy: -313.429
Base-Backbone interact. energy: -2.661
local terms energy: -490.514413
where:
bonds (distance) C4'-P energy: -121.412
bonds (distance) P-C4' energy: -133.404
flat angles C4'-P-C4' energy: -105.359
flat angles P-C4'-P energy: -66.581
tors. eta vs tors. theta energy: -63.759
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -660.945260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.945260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.945260 (E_RNA)
where:
Base-Base interactions energy: -288.974
where: short stacking energy: -196.218
Base-Backbone interact. energy: 6.037
local terms energy: -378.008922
where:
bonds (distance) C4'-P energy: -123.195
bonds (distance) P-C4' energy: -116.241
flat angles C4'-P-C4' energy: -100.191
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2334.239498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.239498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.239498 (E_RNA)
where:
Base-Base interactions energy: -1641.338
where: short stacking energy: -671.387
Base-Backbone interact. energy: -0.168
local terms energy: -692.733454
where:
bonds (distance) C4'-P energy: -134.491
bonds (distance) P-C4' energy: -132.359
flat angles C4'-P-C4' energy: -145.990
flat angles P-C4'-P energy: -96.709
tors. eta vs tors. theta energy: -183.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2277.917845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.917845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.917845 (E_RNA)
where:
Base-Base interactions energy: -1601.828
where: short stacking energy: -656.122
Base-Backbone interact. energy: -4.225
local terms energy: -671.864952
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -122.697
flat angles C4'-P-C4' energy: -155.043
flat angles P-C4'-P energy: -91.971
tors. eta vs tors. theta energy: -184.475
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: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2151.776114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.776114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.776114 (E_RNA)
where:
Base-Base interactions energy: -1497.235
where: short stacking energy: -661.415
Base-Backbone interact. energy: 1.033
local terms energy: -655.574080
where:
bonds (distance) C4'-P energy: -128.576
bonds (distance) P-C4' energy: -114.393
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -79.076
tors. eta vs tors. theta energy: -183.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2034.151080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.151080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.151080 (E_RNA)
where:
Base-Base interactions energy: -1382.760
where: short stacking energy: -578.391
Base-Backbone interact. energy: -2.733
local terms energy: -648.658913
where:
bonds (distance) C4'-P energy: -122.470
bonds (distance) P-C4' energy: -129.128
flat angles C4'-P-C4' energy: -137.489
flat angles P-C4'-P energy: -93.637
tors. eta vs tors. theta energy: -165.935
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: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1934.505340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.505340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.505340 (E_RNA)
where:
Base-Base interactions energy: -1293.373
where: short stacking energy: -555.722
Base-Backbone interact. energy: -3.493
local terms energy: -637.639196
where:
bonds (distance) C4'-P energy: -122.724
bonds (distance) P-C4' energy: -137.776
flat angles C4'-P-C4' energy: -140.794
flat angles P-C4'-P energy: -82.687
tors. eta vs tors. theta energy: -153.658
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: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1775.540818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.540818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.540818 (E_RNA)
where:
Base-Base interactions energy: -1190.671
where: short stacking energy: -534.057
Base-Backbone interact. energy: -0.728
local terms energy: -584.142021
where:
bonds (distance) C4'-P energy: -113.529
bonds (distance) P-C4' energy: -116.089
flat angles C4'-P-C4' energy: -133.109
flat angles P-C4'-P energy: -75.401
tors. eta vs tors. theta energy: -146.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1409.927624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.927624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.927624 (E_RNA)
where:
Base-Base interactions energy: -909.256
where: short stacking energy: -395.302
Base-Backbone interact. energy: 0.022
local terms energy: -500.693339
where:
bonds (distance) C4'-P energy: -103.333
bonds (distance) P-C4' energy: -116.714
flat angles C4'-P-C4' energy: -109.767
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -95.805
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: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1298.456673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.456673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.456673 (E_RNA)
where:
Base-Base interactions energy: -825.728
where: short stacking energy: -370.281
Base-Backbone interact. energy: 4.324
local terms energy: -477.052327
where:
bonds (distance) C4'-P energy: -108.789
bonds (distance) P-C4' energy: -112.022
flat angles C4'-P-C4' energy: -127.788
flat angles P-C4'-P energy: -62.205
tors. eta vs tors. theta energy: -66.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1033.888387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.888387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.888387 (E_RNA)
where:
Base-Base interactions energy: -646.995
where: short stacking energy: -299.815
Base-Backbone interact. energy: 3.594
local terms energy: -390.487569
where:
bonds (distance) C4'-P energy: -88.963
bonds (distance) P-C4' energy: -111.806
flat angles C4'-P-C4' energy: -91.031
flat angles P-C4'-P energy: -54.669
tors. eta vs tors. theta energy: -44.019
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: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -652.665966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.665966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.665966 (E_RNA)
where:
Base-Base interactions energy: -302.794
where: short stacking energy: -168.933
Base-Backbone interact. energy: 3.173
local terms energy: -353.044831
where:
bonds (distance) C4'-P energy: -96.772
bonds (distance) P-C4' energy: -119.460
flat angles C4'-P-C4' energy: -103.274
flat angles P-C4'-P energy: -53.195
tors. eta vs tors. theta energy: 19.656
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: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2318.799614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.799614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.799614 (E_RNA)
where:
Base-Base interactions energy: -1614.581
where: short stacking energy: -682.853
Base-Backbone interact. energy: -3.730
local terms energy: -700.488135
where:
bonds (distance) C4'-P energy: -115.958
bonds (distance) P-C4' energy: -138.424
flat angles C4'-P-C4' energy: -150.936
flat angles P-C4'-P energy: -111.398
tors. eta vs tors. theta energy: -183.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2261.337557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.337557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.337557 (E_RNA)
where:
Base-Base interactions energy: -1590.800
where: short stacking energy: -620.464
Base-Backbone interact. energy: -2.177
local terms energy: -668.359738
where:
bonds (distance) C4'-P energy: -111.915
bonds (distance) P-C4' energy: -136.475
flat angles C4'-P-C4' energy: -143.259
flat angles P-C4'-P energy: -104.339
tors. eta vs tors. theta energy: -172.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2173.583248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.583248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.583248 (E_RNA)
where:
Base-Base interactions energy: -1484.427
where: short stacking energy: -639.860
Base-Backbone interact. energy: -3.625
local terms energy: -685.531994
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -132.614
flat angles C4'-P-C4' energy: -148.268
flat angles P-C4'-P energy: -95.451
tors. eta vs tors. theta energy: -183.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1991.447690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.447690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.447690 (E_RNA)
where:
Base-Base interactions energy: -1389.827
where: short stacking energy: -594.367
Base-Backbone interact. energy: 0.804
local terms energy: -602.424840
where:
bonds (distance) C4'-P energy: -114.588
bonds (distance) P-C4' energy: -116.280
flat angles C4'-P-C4' energy: -118.518
flat angles P-C4'-P energy: -82.225
tors. eta vs tors. theta energy: -170.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1931.807029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.807029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.807029 (E_RNA)
where:
Base-Base interactions energy: -1300.796
where: short stacking energy: -551.831
Base-Backbone interact. energy: -0.752
local terms energy: -630.259120
where:
bonds (distance) C4'-P energy: -122.918
bonds (distance) P-C4' energy: -129.396
flat angles C4'-P-C4' energy: -124.808
flat angles P-C4'-P energy: -96.365
tors. eta vs tors. theta energy: -156.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1756.561684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.561684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.561684 (E_RNA)
where:
Base-Base interactions energy: -1197.556
where: short stacking energy: -512.592
Base-Backbone interact. energy: -3.067
local terms energy: -555.939165
where:
bonds (distance) C4'-P energy: -108.489
bonds (distance) P-C4' energy: -130.855
flat angles C4'-P-C4' energy: -114.157
flat angles P-C4'-P energy: -66.879
tors. eta vs tors. theta energy: -135.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1460.609581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.609581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.609581 (E_RNA)
where:
Base-Base interactions energy: -964.972
where: short stacking energy: -449.208
Base-Backbone interact. energy: 0.166
local terms energy: -495.802825
where:
bonds (distance) C4'-P energy: -100.436
bonds (distance) P-C4' energy: -97.714
flat angles C4'-P-C4' energy: -123.247
flat angles P-C4'-P energy: -66.310
tors. eta vs tors. theta energy: -108.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1334.526628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.526628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.526628 (E_RNA)
where:
Base-Base interactions energy: -901.240
where: short stacking energy: -395.892
Base-Backbone interact. energy: 5.629
local terms energy: -438.915338
where:
bonds (distance) C4'-P energy: -102.267
bonds (distance) P-C4' energy: -97.963
flat angles C4'-P-C4' energy: -115.207
flat angles P-C4'-P energy: -66.589
tors. eta vs tors. theta energy: -56.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1074.428011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.428011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.428011 (E_RNA)
where:
Base-Base interactions energy: -658.118
where: short stacking energy: -314.400
Base-Backbone interact. energy: 5.977
local terms energy: -422.286351
where:
bonds (distance) C4'-P energy: -99.360
bonds (distance) P-C4' energy: -105.914
flat angles C4'-P-C4' energy: -109.555
flat angles P-C4'-P energy: -63.514
tors. eta vs tors. theta energy: -43.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -626.476663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.476663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.476663 (E_RNA)
where:
Base-Base interactions energy: -276.346
where: short stacking energy: -197.739
Base-Backbone interact. energy: -0.919
local terms energy: -349.211749
where:
bonds (distance) C4'-P energy: -105.369
bonds (distance) P-C4' energy: -116.216
flat angles C4'-P-C4' energy: -68.929
flat angles P-C4'-P energy: -54.621
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: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2310.827924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.827924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.827924 (E_RNA)
where:
Base-Base interactions energy: -1604.482
where: short stacking energy: -674.578
Base-Backbone interact. energy: -0.570
local terms energy: -705.776368
where:
bonds (distance) C4'-P energy: -118.248
bonds (distance) P-C4' energy: -143.497
flat angles C4'-P-C4' energy: -151.512
flat angles P-C4'-P energy: -110.615
tors. eta vs tors. theta energy: -181.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2283.865958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.865958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.865958 (E_RNA)
where:
Base-Base interactions energy: -1589.268
where: short stacking energy: -648.326
Base-Backbone interact. energy: -4.152
local terms energy: -690.446126
where:
bonds (distance) C4'-P energy: -119.539
bonds (distance) P-C4' energy: -127.738
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -101.828
tors. eta vs tors. theta energy: -178.633
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: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2148.068388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.068388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.068388 (E_RNA)
where:
Base-Base interactions energy: -1478.562
where: short stacking energy: -626.039
Base-Backbone interact. energy: -0.997
local terms energy: -668.509198
where:
bonds (distance) C4'-P energy: -126.128
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -142.554
flat angles P-C4'-P energy: -91.434
tors. eta vs tors. theta energy: -177.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1994.537253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.537253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.537253 (E_RNA)
where:
Base-Base interactions energy: -1383.854
where: short stacking energy: -588.916
Base-Backbone interact. energy: -0.925
local terms energy: -609.759115
where:
bonds (distance) C4'-P energy: -114.731
bonds (distance) P-C4' energy: -116.312
flat angles C4'-P-C4' energy: -143.606
flat angles P-C4'-P energy: -72.941
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: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1957.930918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.930918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.930918 (E_RNA)
where:
Base-Base interactions energy: -1360.801
where: short stacking energy: -579.677
Base-Backbone interact. energy: -2.158
local terms energy: -594.971812
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -121.507
flat angles C4'-P-C4' energy: -130.387
flat angles P-C4'-P energy: -82.693
tors. eta vs tors. theta energy: -166.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1783.667263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.667263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.667263 (E_RNA)
where:
Base-Base interactions energy: -1211.663
where: short stacking energy: -534.694
Base-Backbone interact. energy: 2.724
local terms energy: -574.728858
where:
bonds (distance) C4'-P energy: -110.019
bonds (distance) P-C4' energy: -124.961
flat angles C4'-P-C4' energy: -108.835
flat angles P-C4'-P energy: -89.444
tors. eta vs tors. theta energy: -141.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1471.147213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.147213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.147213 (E_RNA)
where:
Base-Base interactions energy: -947.488
where: short stacking energy: -428.444
Base-Backbone interact. energy: -2.008
local terms energy: -521.650679
where:
bonds (distance) C4'-P energy: -116.332
bonds (distance) P-C4' energy: -122.753
flat angles C4'-P-C4' energy: -127.534
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: -98.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1278.582567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.582567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.582567 (E_RNA)
where:
Base-Base interactions energy: -812.918
where: short stacking energy: -386.525
Base-Backbone interact. energy: -3.522
local terms energy: -462.142644
where:
bonds (distance) C4'-P energy: -107.902
bonds (distance) P-C4' energy: -116.189
flat angles C4'-P-C4' energy: -106.836
flat angles P-C4'-P energy: -66.341
tors. eta vs tors. theta energy: -64.875
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: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1085.623609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.623609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.623609 (E_RNA)
where:
Base-Base interactions energy: -673.704
where: short stacking energy: -308.905
Base-Backbone interact. energy: -3.440
local terms energy: -408.479797
where:
bonds (distance) C4'-P energy: -121.045
bonds (distance) P-C4' energy: -97.694
flat angles C4'-P-C4' energy: -97.058
flat angles P-C4'-P energy: -45.469
tors. eta vs tors. theta energy: -47.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -648.674133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.674133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.674133 (E_RNA)
where:
Base-Base interactions energy: -322.766
where: short stacking energy: -189.718
Base-Backbone interact. energy: 8.307
local terms energy: -334.215103
where:
bonds (distance) C4'-P energy: -102.158
bonds (distance) P-C4' energy: -111.263
flat angles C4'-P-C4' energy: -95.519
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: 5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2310.194978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.194978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.194978 (E_RNA)
where:
Base-Base interactions energy: -1607.227
where: short stacking energy: -671.831
Base-Backbone interact. energy: -4.926
local terms energy: -698.041935
where:
bonds (distance) C4'-P energy: -126.982
bonds (distance) P-C4' energy: -134.225
flat angles C4'-P-C4' energy: -144.867
flat angles P-C4'-P energy: -98.522
tors. eta vs tors. theta energy: -193.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2248.215089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.215089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.215089 (E_RNA)
where:
Base-Base interactions energy: -1547.104
where: short stacking energy: -650.679
Base-Backbone interact. energy: -4.846
local terms energy: -696.265080
where:
bonds (distance) C4'-P energy: -116.771
bonds (distance) P-C4' energy: -137.506
flat angles C4'-P-C4' energy: -150.714
flat angles P-C4'-P energy: -102.059
tors. eta vs tors. theta energy: -189.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2169.354448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.354448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.354448 (E_RNA)
where:
Base-Base interactions energy: -1488.387
where: short stacking energy: -645.483
Base-Backbone interact. energy: -3.149
local terms energy: -677.818636
where:
bonds (distance) C4'-P energy: -106.800
bonds (distance) P-C4' energy: -136.060
flat angles C4'-P-C4' energy: -150.898
flat angles P-C4'-P energy: -97.491
tors. eta vs tors. theta energy: -186.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2033.371651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.371651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.371651 (E_RNA)
where:
Base-Base interactions energy: -1399.239
where: short stacking energy: -579.234
Base-Backbone interact. energy: -5.531
local terms energy: -628.602414
where:
bonds (distance) C4'-P energy: -119.957
bonds (distance) P-C4' energy: -121.945
flat angles C4'-P-C4' energy: -142.880
flat angles P-C4'-P energy: -91.741
tors. eta vs tors. theta energy: -152.079
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: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1992.057242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.057242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.057242 (E_RNA)
where:
Base-Base interactions energy: -1353.623
where: short stacking energy: -585.990
Base-Backbone interact. energy: -5.120
local terms energy: -633.313900
where:
bonds (distance) C4'-P energy: -115.933
bonds (distance) P-C4' energy: -124.496
flat angles C4'-P-C4' energy: -137.695
flat angles P-C4'-P energy: -93.708
tors. eta vs tors. theta energy: -161.482
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: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1764.716522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.716522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.716522 (E_RNA)
where:
Base-Base interactions energy: -1189.468
where: short stacking energy: -523.565
Base-Backbone interact. energy: -1.271
local terms energy: -573.977722
where:
bonds (distance) C4'-P energy: -122.402
bonds (distance) P-C4' energy: -121.832
flat angles C4'-P-C4' energy: -111.296
flat angles P-C4'-P energy: -85.025
tors. eta vs tors. theta energy: -133.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1406.388633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.388633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.388633 (E_RNA)
where:
Base-Base interactions energy: -911.673
where: short stacking energy: -373.978
Base-Backbone interact. energy: 0.119
local terms energy: -494.834465
where:
bonds (distance) C4'-P energy: -107.769
bonds (distance) P-C4' energy: -135.803
flat angles C4'-P-C4' energy: -98.384
flat angles P-C4'-P energy: -75.958
tors. eta vs tors. theta energy: -76.921
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: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1334.626532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.626532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.626532 (E_RNA)
where:
Base-Base interactions energy: -857.239
where: short stacking energy: -350.627
Base-Backbone interact. energy: -1.746
local terms energy: -475.640969
where:
bonds (distance) C4'-P energy: -100.537
bonds (distance) P-C4' energy: -106.525
flat angles C4'-P-C4' energy: -126.590
flat angles P-C4'-P energy: -76.124
tors. eta vs tors. theta energy: -65.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1113.826136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.826136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.826136 (E_RNA)
where:
Base-Base interactions energy: -690.435
where: short stacking energy: -326.949
Base-Backbone interact. energy: 1.827
local terms energy: -425.218040
where:
bonds (distance) C4'-P energy: -91.138
bonds (distance) P-C4' energy: -112.275
flat angles C4'-P-C4' energy: -113.873
flat angles P-C4'-P energy: -59.076
tors. eta vs tors. theta energy: -48.855
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: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -622.200036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.200036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.200036 (E_RNA)
where:
Base-Base interactions energy: -272.798
where: short stacking energy: -172.485
Base-Backbone interact. energy: -3.922
local terms energy: -345.480063
where:
bonds (distance) C4'-P energy: -109.449
bonds (distance) P-C4' energy: -121.326
flat angles C4'-P-C4' energy: -80.346
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: 13.277
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: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2340.950587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.950587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.950587 (E_RNA)
where:
Base-Base interactions energy: -1629.781
where: short stacking energy: -663.762
Base-Backbone interact. energy: -3.271
local terms energy: -707.898245
where:
bonds (distance) C4'-P energy: -129.305
bonds (distance) P-C4' energy: -138.346
flat angles C4'-P-C4' energy: -143.276
flat angles P-C4'-P energy: -118.282
tors. eta vs tors. theta energy: -178.689
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: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2234.215108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.215108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.215108 (E_RNA)
where:
Base-Base interactions energy: -1567.633
where: short stacking energy: -652.156
Base-Backbone interact. energy: -4.309
local terms energy: -662.273539
where:
bonds (distance) C4'-P energy: -118.174
bonds (distance) P-C4' energy: -127.517
flat angles C4'-P-C4' energy: -153.095
flat angles P-C4'-P energy: -91.291
tors. eta vs tors. theta energy: -172.198
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: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2146.009838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.009838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.009838 (E_RNA)
where:
Base-Base interactions energy: -1495.066
where: short stacking energy: -646.547
Base-Backbone interact. energy: -0.014
local terms energy: -650.929750
where:
bonds (distance) C4'-P energy: -106.383
bonds (distance) P-C4' energy: -118.365
flat angles C4'-P-C4' energy: -148.359
flat angles P-C4'-P energy: -95.303
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1995.480927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.480927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.480927 (E_RNA)
where:
Base-Base interactions energy: -1369.214
where: short stacking energy: -592.962
Base-Backbone interact. energy: -1.199
local terms energy: -625.068066
where:
bonds (distance) C4'-P energy: -107.105
bonds (distance) P-C4' energy: -128.686
flat angles C4'-P-C4' energy: -127.420
flat angles P-C4'-P energy: -93.926
tors. eta vs tors. theta energy: -167.931
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1955.950356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.950356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.950356 (E_RNA)
where:
Base-Base interactions energy: -1330.123
where: short stacking energy: -573.332
Base-Backbone interact. energy: -0.537
local terms energy: -625.290152
where:
bonds (distance) C4'-P energy: -109.424
bonds (distance) P-C4' energy: -131.374
flat angles C4'-P-C4' energy: -144.101
flat angles P-C4'-P energy: -88.968
tors. eta vs tors. theta energy: -151.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1787.510169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.510169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.510169 (E_RNA)
where:
Base-Base interactions energy: -1222.329
where: short stacking energy: -556.342
Base-Backbone interact. energy: -4.714
local terms energy: -560.467336
where:
bonds (distance) C4'-P energy: -104.040
bonds (distance) P-C4' energy: -103.910
flat angles C4'-P-C4' energy: -124.407
flat angles P-C4'-P energy: -83.891
tors. eta vs tors. theta energy: -144.219
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: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1446.588174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.588174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.588174 (E_RNA)
where:
Base-Base interactions energy: -954.434
where: short stacking energy: -433.749
Base-Backbone interact. energy: 0.817
local terms energy: -492.971129
where:
bonds (distance) C4'-P energy: -96.209
bonds (distance) P-C4' energy: -128.049
flat angles C4'-P-C4' energy: -109.367
flat angles P-C4'-P energy: -66.355
tors. eta vs tors. theta energy: -92.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1308.565386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.565386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.565386 (E_RNA)
where:
Base-Base interactions energy: -856.908
where: short stacking energy: -372.952
Base-Backbone interact. energy: 8.510
local terms energy: -460.168082
where:
bonds (distance) C4'-P energy: -101.185
bonds (distance) P-C4' energy: -113.773
flat angles C4'-P-C4' energy: -107.946
flat angles P-C4'-P energy: -75.017
tors. eta vs tors. theta energy: -62.247
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: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1114.551398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.551398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.551398 (E_RNA)
where:
Base-Base interactions energy: -671.020
where: short stacking energy: -309.769
Base-Backbone interact. energy: -2.638
local terms energy: -440.894070
where:
bonds (distance) C4'-P energy: -119.659
bonds (distance) P-C4' energy: -103.346
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -64.987
tors. eta vs tors. theta energy: -56.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -617.697010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.697010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.697010 (E_RNA)
where:
Base-Base interactions energy: -266.637
where: short stacking energy: -164.200
Base-Backbone interact. energy: -0.721
local terms energy: -350.338789
where:
bonds (distance) C4'-P energy: -104.891
bonds (distance) P-C4' energy: -103.186
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -72.492
tors. eta vs tors. theta energy: 19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2305.313759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.313759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.313759 (E_RNA)
where:
Base-Base interactions energy: -1606.917
where: short stacking energy: -652.574
Base-Backbone interact. energy: 0.010
local terms energy: -698.406460
where:
bonds (distance) C4'-P energy: -137.478
bonds (distance) P-C4' energy: -130.573
flat angles C4'-P-C4' energy: -150.576
flat angles P-C4'-P energy: -109.204
tors. eta vs tors. theta energy: -170.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2236.457700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.457700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.457700 (E_RNA)
where:
Base-Base interactions energy: -1567.851
where: short stacking energy: -648.093
Base-Backbone interact. energy: 1.814
local terms energy: -670.421235
where:
bonds (distance) C4'-P energy: -132.605
bonds (distance) P-C4' energy: -133.789
flat angles C4'-P-C4' energy: -142.167
flat angles P-C4'-P energy: -94.417
tors. eta vs tors. theta energy: -167.444
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: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2141.081925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.081925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.081925 (E_RNA)
where:
Base-Base interactions energy: -1484.050
where: short stacking energy: -654.356
Base-Backbone interact. energy: -3.202
local terms energy: -653.829587
where:
bonds (distance) C4'-P energy: -116.196
bonds (distance) P-C4' energy: -102.901
flat angles C4'-P-C4' energy: -146.760
flat angles P-C4'-P energy: -96.260
tors. eta vs tors. theta energy: -191.713
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2017.985861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.985861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.985861 (E_RNA)
where:
Base-Base interactions energy: -1394.647
where: short stacking energy: -585.177
Base-Backbone interact. energy: -2.059
local terms energy: -621.279412
where:
bonds (distance) C4'-P energy: -113.426
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -138.530
flat angles P-C4'-P energy: -87.739
tors. eta vs tors. theta energy: -164.388
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: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1927.525266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.525266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.525266 (E_RNA)
where:
Base-Base interactions energy: -1338.293
where: short stacking energy: -547.529
Base-Backbone interact. energy: 1.528
local terms energy: -590.760225
where:
bonds (distance) C4'-P energy: -120.157
bonds (distance) P-C4' energy: -116.859
flat angles C4'-P-C4' energy: -128.530
flat angles P-C4'-P energy: -93.976
tors. eta vs tors. theta energy: -131.238
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1799.613506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.613506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.613506 (E_RNA)
where:
Base-Base interactions energy: -1241.807
where: short stacking energy: -546.196
Base-Backbone interact. energy: -0.463
local terms energy: -557.343078
where:
bonds (distance) C4'-P energy: -104.803
bonds (distance) P-C4' energy: -122.018
flat angles C4'-P-C4' energy: -116.610
flat angles P-C4'-P energy: -71.493
tors. eta vs tors. theta energy: -142.419
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: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1476.785129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.785129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.785129 (E_RNA)
where:
Base-Base interactions energy: -956.041
where: short stacking energy: -432.658
Base-Backbone interact. energy: 0.809
local terms energy: -521.553080
where:
bonds (distance) C4'-P energy: -117.369
bonds (distance) P-C4' energy: -120.116
flat angles C4'-P-C4' energy: -124.782
flat angles P-C4'-P energy: -67.199
tors. eta vs tors. theta energy: -92.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1356.371487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.371487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.371487 (E_RNA)
where:
Base-Base interactions energy: -860.703
where: short stacking energy: -395.343
Base-Backbone interact. energy: 1.026
local terms energy: -496.694410
where:
bonds (distance) C4'-P energy: -120.866
bonds (distance) P-C4' energy: -110.232
flat angles C4'-P-C4' energy: -110.733
flat angles P-C4'-P energy: -73.577
tors. eta vs tors. theta energy: -81.287
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: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1090.238474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.238474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.238474 (E_RNA)
where:
Base-Base interactions energy: -637.624
where: short stacking energy: -304.906
Base-Backbone interact. energy: 0.389
local terms energy: -453.003890
where:
bonds (distance) C4'-P energy: -108.000
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -110.654
flat angles P-C4'-P energy: -74.858
tors. eta vs tors. theta energy: -48.836
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: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -673.189311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.189311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.189311 (E_RNA)
where:
Base-Base interactions energy: -308.327
where: short stacking energy: -218.792
Base-Backbone interact. energy: -0.217
local terms energy: -364.645473
where:
bonds (distance) C4'-P energy: -94.870
bonds (distance) P-C4' energy: -110.536
flat angles C4'-P-C4' energy: -96.061
flat angles P-C4'-P energy: -51.267
tors. eta vs tors. theta energy: -11.910
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: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2304.586044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.586044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.586044 (E_RNA)
where:
Base-Base interactions energy: -1593.494
where: short stacking energy: -646.682
Base-Backbone interact. energy: 2.111
local terms energy: -713.202621
where:
bonds (distance) C4'-P energy: -130.758
bonds (distance) P-C4' energy: -143.328
flat angles C4'-P-C4' energy: -148.137
flat angles P-C4'-P energy: -114.219
tors. eta vs tors. theta energy: -176.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2261.146276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.146276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.146276 (E_RNA)
where:
Base-Base interactions energy: -1570.872
where: short stacking energy: -636.566
Base-Backbone interact. energy: -2.548
local terms energy: -687.726212
where:
bonds (distance) C4'-P energy: -127.085
bonds (distance) P-C4' energy: -134.584
flat angles C4'-P-C4' energy: -152.768
flat angles P-C4'-P energy: -93.278
tors. eta vs tors. theta energy: -180.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2172.061902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.061902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.061902 (E_RNA)
where:
Base-Base interactions energy: -1473.071
where: short stacking energy: -664.324
Base-Backbone interact. energy: 1.130
local terms energy: -700.121320
where:
bonds (distance) C4'-P energy: -118.411
bonds (distance) P-C4' energy: -136.556
flat angles C4'-P-C4' energy: -148.414
flat angles P-C4'-P energy: -103.897
tors. eta vs tors. theta energy: -192.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2023.941822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.941822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.941822 (E_RNA)
where:
Base-Base interactions energy: -1393.971
where: short stacking energy: -603.726
Base-Backbone interact. energy: -2.479
local terms energy: -627.492038
where:
bonds (distance) C4'-P energy: -120.623
bonds (distance) P-C4' energy: -118.870
flat angles C4'-P-C4' energy: -145.380
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -167.089
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: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1939.930345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.930345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.930345 (E_RNA)
where:
Base-Base interactions energy: -1315.559
where: short stacking energy: -551.935
Base-Backbone interact. energy: -1.330
local terms energy: -623.040850
where:
bonds (distance) C4'-P energy: -112.355
bonds (distance) P-C4' energy: -133.298
flat angles C4'-P-C4' energy: -131.965
flat angles P-C4'-P energy: -92.583
tors. eta vs tors. theta energy: -152.839
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: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1726.017555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.017555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.017555 (E_RNA)
where:
Base-Base interactions energy: -1151.612
where: short stacking energy: -532.418
Base-Backbone interact. energy: 0.918
local terms energy: -575.323492
where:
bonds (distance) C4'-P energy: -116.638
bonds (distance) P-C4' energy: -116.302
flat angles C4'-P-C4' energy: -129.923
flat angles P-C4'-P energy: -77.105
tors. eta vs tors. theta energy: -135.356
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: 414
Temperature: 1.200000
Total energy: -1482.364030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.364030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.364030 (E_RNA)
where:
Base-Base interactions energy: -995.875
where: short stacking energy: -441.690
Base-Backbone interact. energy: 4.546
local terms energy: -491.034692
where:
bonds (distance) C4'-P energy: -115.886
bonds (distance) P-C4' energy: -103.667
flat angles C4'-P-C4' energy: -110.410
flat angles P-C4'-P energy: -76.909
tors. eta vs tors. theta energy: -84.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1248.089056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.089056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.089056 (E_RNA)
where:
Base-Base interactions energy: -816.899
where: short stacking energy: -364.638
Base-Backbone interact. energy: 0.405
local terms energy: -431.594914
where:
bonds (distance) C4'-P energy: -91.184
bonds (distance) P-C4' energy: -117.820
flat angles C4'-P-C4' energy: -87.058
flat angles P-C4'-P energy: -75.383
tors. eta vs tors. theta energy: -60.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1082.923181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.923181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.923181 (E_RNA)
where:
Base-Base interactions energy: -652.801
where: short stacking energy: -314.971
Base-Backbone interact. energy: -3.387
local terms energy: -426.734468
where:
bonds (distance) C4'-P energy: -106.001
bonds (distance) P-C4' energy: -105.875
flat angles C4'-P-C4' energy: -101.359
flat angles P-C4'-P energy: -67.153
tors. eta vs tors. theta energy: -46.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -651.160676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.160676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.160676 (E_RNA)
where:
Base-Base interactions energy: -311.898
where: short stacking energy: -184.148
Base-Backbone interact. energy: 1.626
local terms energy: -340.889462
where:
bonds (distance) C4'-P energy: -91.954
bonds (distance) P-C4' energy: -106.508
flat angles C4'-P-C4' energy: -97.578
flat angles P-C4'-P energy: -48.582
tors. eta vs tors. theta energy: 3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2326.605351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.605351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.605351 (E_RNA)
where:
Base-Base interactions energy: -1619.708
where: short stacking energy: -676.308
Base-Backbone interact. energy: -1.692
local terms energy: -705.205563
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -141.594
flat angles C4'-P-C4' energy: -150.002
flat angles P-C4'-P energy: -108.482
tors. eta vs tors. theta energy: -189.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2218.529873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.529873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.529873 (E_RNA)
where:
Base-Base interactions energy: -1558.884
where: short stacking energy: -632.923
Base-Backbone interact. energy: -1.620
local terms energy: -658.025350
where:
bonds (distance) C4'-P energy: -121.222
bonds (distance) P-C4' energy: -133.246
flat angles C4'-P-C4' energy: -147.993
flat angles P-C4'-P energy: -86.307
tors. eta vs tors. theta energy: -169.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2183.265601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.265601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.265601 (E_RNA)
where:
Base-Base interactions energy: -1474.895
where: short stacking energy: -644.571
Base-Backbone interact. energy: -1.769
local terms energy: -706.602111
where:
bonds (distance) C4'-P energy: -119.043
bonds (distance) P-C4' energy: -132.544
flat angles C4'-P-C4' energy: -160.352
flat angles P-C4'-P energy: -96.059
tors. eta vs tors. theta energy: -198.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2024.178180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.178180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.178180 (E_RNA)
where:
Base-Base interactions energy: -1378.543
where: short stacking energy: -587.824
Base-Backbone interact. energy: 0.607
local terms energy: -646.242392
where:
bonds (distance) C4'-P energy: -115.979
bonds (distance) P-C4' energy: -132.040
flat angles C4'-P-C4' energy: -133.316
flat angles P-C4'-P energy: -94.932
tors. eta vs tors. theta energy: -169.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1937.790281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.790281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.790281 (E_RNA)
where:
Base-Base interactions energy: -1350.898
where: short stacking energy: -566.624
Base-Backbone interact. energy: 3.646
local terms energy: -590.538097
where:
bonds (distance) C4'-P energy: -103.352
bonds (distance) P-C4' energy: -109.420
flat angles C4'-P-C4' energy: -128.463
flat angles P-C4'-P energy: -88.296
tors. eta vs tors. theta energy: -161.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1708.351643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.351643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.351643 (E_RNA)
where:
Base-Base interactions energy: -1110.549
where: short stacking energy: -499.130
Base-Backbone interact. energy: -1.431
local terms energy: -596.371662
where:
bonds (distance) C4'-P energy: -120.418
bonds (distance) P-C4' energy: -147.471
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -81.598
tors. eta vs tors. theta energy: -128.015
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: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1500.969450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.969450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.969450 (E_RNA)
where:
Base-Base interactions energy: -1019.027
where: short stacking energy: -426.846
Base-Backbone interact. energy: -2.214
local terms energy: -479.728210
where:
bonds (distance) C4'-P energy: -98.042
bonds (distance) P-C4' energy: -112.558
flat angles C4'-P-C4' energy: -107.374
flat angles P-C4'-P energy: -73.825
tors. eta vs tors. theta energy: -87.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1244.567239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.567239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.567239 (E_RNA)
where:
Base-Base interactions energy: -802.911
where: short stacking energy: -372.886
Base-Backbone interact. energy: -1.348
local terms energy: -440.308082
where:
bonds (distance) C4'-P energy: -92.885
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -114.048
flat angles P-C4'-P energy: -61.856
tors. eta vs tors. theta energy: -58.018
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: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1105.051459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.051459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.051459 (E_RNA)
where:
Base-Base interactions energy: -692.980
where: short stacking energy: -317.793
Base-Backbone interact. energy: 3.797
local terms energy: -415.868470
where:
bonds (distance) C4'-P energy: -96.752
bonds (distance) P-C4' energy: -101.111
flat angles C4'-P-C4' energy: -105.052
flat angles P-C4'-P energy: -69.173
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -618.202080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.202080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.202080 (E_RNA)
where:
Base-Base interactions energy: -271.881
where: short stacking energy: -187.876
Base-Backbone interact. energy: -0.171
local terms energy: -346.150148
where:
bonds (distance) C4'-P energy: -114.504
bonds (distance) P-C4' energy: -117.811
flat angles C4'-P-C4' energy: -72.065
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2344.674796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.674796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.674796 (E_RNA)
where:
Base-Base interactions energy: -1628.757
where: short stacking energy: -689.291
Base-Backbone interact. energy: -2.866
local terms energy: -713.051882
where:
bonds (distance) C4'-P energy: -125.835
bonds (distance) P-C4' energy: -135.395
flat angles C4'-P-C4' energy: -149.233
flat angles P-C4'-P energy: -107.780
tors. eta vs tors. theta energy: -194.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2210.178571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.178571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.178571 (E_RNA)
where:
Base-Base interactions energy: -1535.906
where: short stacking energy: -610.994
Base-Backbone interact. energy: -4.693
local terms energy: -669.579391
where:
bonds (distance) C4'-P energy: -126.074
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -150.051
flat angles P-C4'-P energy: -94.221
tors. eta vs tors. theta energy: -170.915
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: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2162.563696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.563696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.563696 (E_RNA)
where:
Base-Base interactions energy: -1468.355
where: short stacking energy: -637.148
Base-Backbone interact. energy: 0.528
local terms energy: -694.737265
where:
bonds (distance) C4'-P energy: -116.159
bonds (distance) P-C4' energy: -139.314
flat angles C4'-P-C4' energy: -156.003
flat angles P-C4'-P energy: -95.573
tors. eta vs tors. theta energy: -187.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2019.272222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.272222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.272222 (E_RNA)
where:
Base-Base interactions energy: -1382.164
where: short stacking energy: -576.819
Base-Backbone interact. energy: -0.610
local terms energy: -636.497775
where:
bonds (distance) C4'-P energy: -129.221
bonds (distance) P-C4' energy: -117.316
flat angles C4'-P-C4' energy: -140.485
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -160.769
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1915.048182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.048182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.048182 (E_RNA)
where:
Base-Base interactions energy: -1333.910
where: short stacking energy: -531.351
Base-Backbone interact. energy: -2.931
local terms energy: -578.206898
where:
bonds (distance) C4'-P energy: -122.266
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -127.870
flat angles P-C4'-P energy: -80.126
tors. eta vs tors. theta energy: -144.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1694.153888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.153888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.153888 (E_RNA)
where:
Base-Base interactions energy: -1130.015
where: short stacking energy: -510.906
Base-Backbone interact. energy: -4.109
local terms energy: -560.030384
where:
bonds (distance) C4'-P energy: -112.488
bonds (distance) P-C4' energy: -114.348
flat angles C4'-P-C4' energy: -130.084
flat angles P-C4'-P energy: -78.183
tors. eta vs tors. theta energy: -124.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1491.977807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.977807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.977807 (E_RNA)
where:
Base-Base interactions energy: -972.444
where: short stacking energy: -408.514
Base-Backbone interact. energy: -1.187
local terms energy: -518.346795
where:
bonds (distance) C4'-P energy: -123.256
bonds (distance) P-C4' energy: -108.315
flat angles C4'-P-C4' energy: -110.165
flat angles P-C4'-P energy: -91.722
tors. eta vs tors. theta energy: -84.889
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: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1189.859436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.859436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.859436 (E_RNA)
where:
Base-Base interactions energy: -771.485
where: short stacking energy: -342.171
Base-Backbone interact. energy: -0.981
local terms energy: -417.393212
where:
bonds (distance) C4'-P energy: -94.494
bonds (distance) P-C4' energy: -119.774
flat angles C4'-P-C4' energy: -100.056
flat angles P-C4'-P energy: -63.763
tors. eta vs tors. theta energy: -39.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1033.100155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.100155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.100155 (E_RNA)
where:
Base-Base interactions energy: -615.110
where: short stacking energy: -274.228
Base-Backbone interact. energy: 1.824
local terms energy: -419.814456
where:
bonds (distance) C4'-P energy: -103.561
bonds (distance) P-C4' energy: -107.102
flat angles C4'-P-C4' energy: -97.680
flat angles P-C4'-P energy: -68.342
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -652.951788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.951788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.951788 (E_RNA)
where:
Base-Base interactions energy: -310.220
where: short stacking energy: -198.521
Base-Backbone interact. energy: -1.534
local terms energy: -341.197558
where:
bonds (distance) C4'-P energy: -115.872
bonds (distance) P-C4' energy: -99.449
flat angles C4'-P-C4' energy: -100.856
flat angles P-C4'-P energy: -39.675
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: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2324.463747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.463747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.463747 (E_RNA)
where:
Base-Base interactions energy: -1625.097
where: short stacking energy: -666.321
Base-Backbone interact. energy: -3.207
local terms energy: -696.159844
where:
bonds (distance) C4'-P energy: -127.729
bonds (distance) P-C4' energy: -131.234
flat angles C4'-P-C4' energy: -155.593
flat angles P-C4'-P energy: -94.479
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: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2235.358046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.358046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.358046 (E_RNA)
where:
Base-Base interactions energy: -1569.575
where: short stacking energy: -639.704
Base-Backbone interact. energy: -4.166
local terms energy: -661.617307
where:
bonds (distance) C4'-P energy: -127.780
bonds (distance) P-C4' energy: -126.035
flat angles C4'-P-C4' energy: -130.304
flat angles P-C4'-P energy: -100.013
tors. eta vs tors. theta energy: -177.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2165.858690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.858690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.858690 (E_RNA)
where:
Base-Base interactions energy: -1499.049
where: short stacking energy: -647.252
Base-Backbone interact. energy: -1.879
local terms energy: -664.931506
where:
bonds (distance) C4'-P energy: -105.548
bonds (distance) P-C4' energy: -135.972
flat angles C4'-P-C4' energy: -151.650
flat angles P-C4'-P energy: -83.953
tors. eta vs tors. theta energy: -187.808
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: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2009.394621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.394621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.394621 (E_RNA)
where:
Base-Base interactions energy: -1376.001
where: short stacking energy: -557.249
Base-Backbone interact. energy: -1.682
local terms energy: -631.711517
where:
bonds (distance) C4'-P energy: -126.213
bonds (distance) P-C4' energy: -119.263
flat angles C4'-P-C4' energy: -138.399
flat angles P-C4'-P energy: -79.296
tors. eta vs tors. theta energy: -168.540
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: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1909.387248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.387248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.387248 (E_RNA)
where:
Base-Base interactions energy: -1305.184
where: short stacking energy: -547.677
Base-Backbone interact. energy: -0.805
local terms energy: -603.398270
where:
bonds (distance) C4'-P energy: -107.079
bonds (distance) P-C4' energy: -113.755
flat angles C4'-P-C4' energy: -146.389
flat angles P-C4'-P energy: -85.806
tors. eta vs tors. theta energy: -150.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1718.794600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.794600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.794600 (E_RNA)
where:
Base-Base interactions energy: -1156.944
where: short stacking energy: -508.445
Base-Backbone interact. energy: -2.946
local terms energy: -558.904763
where:
bonds (distance) C4'-P energy: -114.074
bonds (distance) P-C4' energy: -107.343
flat angles C4'-P-C4' energy: -125.501
flat angles P-C4'-P energy: -78.557
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: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1525.841809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.841809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.841809 (E_RNA)
where:
Base-Base interactions energy: -1038.219
where: short stacking energy: -445.275
Base-Backbone interact. energy: 0.578
local terms energy: -488.201358
where:
bonds (distance) C4'-P energy: -101.048
bonds (distance) P-C4' energy: -105.913
flat angles C4'-P-C4' energy: -114.250
flat angles P-C4'-P energy: -67.409
tors. eta vs tors. theta energy: -99.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1183.158396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.158396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.158396 (E_RNA)
where:
Base-Base interactions energy: -696.226
where: short stacking energy: -307.573
Base-Backbone interact. energy: -3.250
local terms energy: -483.682277
where:
bonds (distance) C4'-P energy: -117.710
bonds (distance) P-C4' energy: -116.763
flat angles C4'-P-C4' energy: -119.251
flat angles P-C4'-P energy: -78.899
tors. eta vs tors. theta energy: -51.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1111.123117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.123117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.123117 (E_RNA)
where:
Base-Base interactions energy: -680.643
where: short stacking energy: -313.799
Base-Backbone interact. energy: -0.718
local terms energy: -429.761615
where:
bonds (distance) C4'-P energy: -88.787
bonds (distance) P-C4' energy: -109.915
flat angles C4'-P-C4' energy: -125.845
flat angles P-C4'-P energy: -64.981
tors. eta vs tors. theta energy: -40.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -640.417405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.417405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.417405 (E_RNA)
where:
Base-Base interactions energy: -291.423
where: short stacking energy: -187.626
Base-Backbone interact. energy: 1.207
local terms energy: -350.200858
where:
bonds (distance) C4'-P energy: -92.131
bonds (distance) P-C4' energy: -122.258
flat angles C4'-P-C4' energy: -106.010
flat angles P-C4'-P energy: -34.093
tors. eta vs tors. theta energy: 4.290
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: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2311.822592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.822592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.822592 (E_RNA)
where:
Base-Base interactions energy: -1602.121
where: short stacking energy: -643.892
Base-Backbone interact. energy: -1.865
local terms energy: -707.836490
where:
bonds (distance) C4'-P energy: -138.466
bonds (distance) P-C4' energy: -129.813
flat angles C4'-P-C4' energy: -145.024
flat angles P-C4'-P energy: -107.315
tors. eta vs tors. theta energy: -187.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2214.174234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.174234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.174234 (E_RNA)
where:
Base-Base interactions energy: -1523.410
where: short stacking energy: -631.227
Base-Backbone interact. energy: 0.734
local terms energy: -691.498608
where:
bonds (distance) C4'-P energy: -139.842
bonds (distance) P-C4' energy: -129.584
flat angles C4'-P-C4' energy: -149.889
flat angles P-C4'-P energy: -98.639
tors. eta vs tors. theta energy: -173.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2157.601121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.601121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.601121 (E_RNA)
where:
Base-Base interactions energy: -1465.583
where: short stacking energy: -654.685
Base-Backbone interact. energy: -3.593
local terms energy: -688.424518
where:
bonds (distance) C4'-P energy: -128.831
bonds (distance) P-C4' energy: -135.728
flat angles C4'-P-C4' energy: -148.987
flat angles P-C4'-P energy: -86.616
tors. eta vs tors. theta energy: -188.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2058.718343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.718343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.718343 (E_RNA)
where:
Base-Base interactions energy: -1432.283
where: short stacking energy: -617.461
Base-Backbone interact. energy: 15.885
local terms energy: -642.319927
where:
bonds (distance) C4'-P energy: -109.699
bonds (distance) P-C4' energy: -116.579
flat angles C4'-P-C4' energy: -146.089
flat angles P-C4'-P energy: -98.295
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: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1933.428477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.428477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.428477 (E_RNA)
where:
Base-Base interactions energy: -1336.148
where: short stacking energy: -531.219
Base-Backbone interact. energy: -0.314
local terms energy: -596.966517
where:
bonds (distance) C4'-P energy: -122.113
bonds (distance) P-C4' energy: -116.663
flat angles C4'-P-C4' energy: -128.135
flat angles P-C4'-P energy: -84.482
tors. eta vs tors. theta energy: -145.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1703.996368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.996368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.996368 (E_RNA)
where:
Base-Base interactions energy: -1140.486
where: short stacking energy: -514.051
Base-Backbone interact. energy: -0.813
local terms energy: -562.697511
where:
bonds (distance) C4'-P energy: -95.054
bonds (distance) P-C4' energy: -121.232
flat angles C4'-P-C4' energy: -134.829
flat angles P-C4'-P energy: -90.597
tors. eta vs tors. theta energy: -120.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1554.878923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.878923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.878923 (E_RNA)
where:
Base-Base interactions energy: -1027.826
where: short stacking energy: -422.199
Base-Backbone interact. energy: -2.206
local terms energy: -524.846833
where:
bonds (distance) C4'-P energy: -114.626
bonds (distance) P-C4' energy: -101.228
flat angles C4'-P-C4' energy: -126.986
flat angles P-C4'-P energy: -80.352
tors. eta vs tors. theta energy: -101.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1167.606511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.606511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.606511 (E_RNA)
where:
Base-Base interactions energy: -723.458
where: short stacking energy: -347.853
Base-Backbone interact. energy: -1.099
local terms energy: -443.050187
where:
bonds (distance) C4'-P energy: -107.613
bonds (distance) P-C4' energy: -120.967
flat angles C4'-P-C4' energy: -88.069
flat angles P-C4'-P energy: -68.469
tors. eta vs tors. theta energy: -57.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1144.354552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.354552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.354552 (E_RNA)
where:
Base-Base interactions energy: -717.940
where: short stacking energy: -331.576
Base-Backbone interact. energy: 1.048
local terms energy: -427.462100
where:
bonds (distance) C4'-P energy: -89.881
bonds (distance) P-C4' energy: -110.537
flat angles C4'-P-C4' energy: -114.003
flat angles P-C4'-P energy: -51.188
tors. eta vs tors. theta energy: -61.852
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: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -635.939219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.939219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.939219 (E_RNA)
where:
Base-Base interactions energy: -295.905
where: short stacking energy: -183.991
Base-Backbone interact. energy: 2.567
local terms energy: -342.600970
where:
bonds (distance) C4'-P energy: -102.402
bonds (distance) P-C4' energy: -113.899
flat angles C4'-P-C4' energy: -80.489
flat angles P-C4'-P energy: -62.653
tors. eta vs tors. theta energy: 16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2331.408504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.408504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.408504 (E_RNA)
where:
Base-Base interactions energy: -1615.201
where: short stacking energy: -663.142
Base-Backbone interact. energy: -2.088
local terms energy: -714.119483
where:
bonds (distance) C4'-P energy: -129.073
bonds (distance) P-C4' energy: -140.263
flat angles C4'-P-C4' energy: -153.687
flat angles P-C4'-P energy: -108.122
tors. eta vs tors. theta energy: -182.974
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: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2210.224171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.224171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.224171 (E_RNA)
where:
Base-Base interactions energy: -1506.471
where: short stacking energy: -656.102
Base-Backbone interact. energy: -4.697
local terms energy: -699.056481
where:
bonds (distance) C4'-P energy: -127.386
bonds (distance) P-C4' energy: -141.202
flat angles C4'-P-C4' energy: -153.338
flat angles P-C4'-P energy: -89.137
tors. eta vs tors. theta energy: -187.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2183.318256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.318256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.318256 (E_RNA)
where:
Base-Base interactions energy: -1499.339
where: short stacking energy: -612.875
Base-Backbone interact. energy: -1.096
local terms energy: -682.882754
where:
bonds (distance) C4'-P energy: -124.219
bonds (distance) P-C4' energy: -136.997
flat angles C4'-P-C4' energy: -152.106
flat angles P-C4'-P energy: -102.340
tors. eta vs tors. theta energy: -167.221
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: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2040.917293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.917293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.917293 (E_RNA)
where:
Base-Base interactions energy: -1382.674
where: short stacking energy: -616.670
Base-Backbone interact. energy: 4.342
local terms energy: -662.584765
where:
bonds (distance) C4'-P energy: -111.929
bonds (distance) P-C4' energy: -137.514
flat angles C4'-P-C4' energy: -134.833
flat angles P-C4'-P energy: -88.992
tors. eta vs tors. theta energy: -189.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1975.244950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.244950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.244950 (E_RNA)
where:
Base-Base interactions energy: -1373.230
where: short stacking energy: -585.208
Base-Backbone interact. energy: -1.326
local terms energy: -600.689563
where:
bonds (distance) C4'-P energy: -102.008
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -139.074
flat angles P-C4'-P energy: -88.935
tors. eta vs tors. theta energy: -157.748
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1693.933789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.933789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.933789 (E_RNA)
where:
Base-Base interactions energy: -1138.686
where: short stacking energy: -498.364
Base-Backbone interact. energy: -3.664
local terms energy: -551.584048
where:
bonds (distance) C4'-P energy: -114.900
bonds (distance) P-C4' energy: -123.937
flat angles C4'-P-C4' energy: -129.698
flat angles P-C4'-P energy: -66.816
tors. eta vs tors. theta energy: -116.233
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: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1534.829138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.829138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.829138 (E_RNA)
where:
Base-Base interactions energy: -1009.015
where: short stacking energy: -403.065
Base-Backbone interact. energy: -3.245
local terms energy: -522.568867
where:
bonds (distance) C4'-P energy: -108.517
bonds (distance) P-C4' energy: -105.855
flat angles C4'-P-C4' energy: -128.624
flat angles P-C4'-P energy: -78.102
tors. eta vs tors. theta energy: -101.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1135.319602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.319602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.319602 (E_RNA)
where:
Base-Base interactions energy: -699.999
where: short stacking energy: -313.365
Base-Backbone interact. energy: -0.609
local terms energy: -434.711757
where:
bonds (distance) C4'-P energy: -100.720
bonds (distance) P-C4' energy: -115.637
flat angles C4'-P-C4' energy: -113.500
flat angles P-C4'-P energy: -69.410
tors. eta vs tors. theta energy: -35.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1199.517631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.517631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.517631 (E_RNA)
where:
Base-Base interactions energy: -735.306
where: short stacking energy: -344.830
Base-Backbone interact. energy: 2.054
local terms energy: -466.265038
where:
bonds (distance) C4'-P energy: -113.854
bonds (distance) P-C4' energy: -125.217
flat angles C4'-P-C4' energy: -100.798
flat angles P-C4'-P energy: -60.897
tors. eta vs tors. theta energy: -65.499
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: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -632.889605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.889605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.889605 (E_RNA)
where:
Base-Base interactions energy: -286.080
where: short stacking energy: -174.856
Base-Backbone interact. energy: -1.092
local terms energy: -345.718174
where:
bonds (distance) C4'-P energy: -89.616
bonds (distance) P-C4' energy: -118.031
flat angles C4'-P-C4' energy: -94.543
flat angles P-C4'-P energy: -55.827
tors. eta vs tors. theta energy: 12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2372.543445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.543445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.543445 (E_RNA)
where:
Base-Base interactions energy: -1672.194
where: short stacking energy: -653.768
Base-Backbone interact. energy: -1.561
local terms energy: -698.788503
where:
bonds (distance) C4'-P energy: -121.123
bonds (distance) P-C4' energy: -131.565
flat angles C4'-P-C4' energy: -155.022
flat angles P-C4'-P energy: -103.869
tors. eta vs tors. theta energy: -187.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2197.683185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.683185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.683185 (E_RNA)
where:
Base-Base interactions energy: -1506.117
where: short stacking energy: -655.697
Base-Backbone interact. energy: -2.853
local terms energy: -688.713249
where:
bonds (distance) C4'-P energy: -118.759
bonds (distance) P-C4' energy: -134.922
flat angles C4'-P-C4' energy: -140.987
flat angles P-C4'-P energy: -102.445
tors. eta vs tors. theta energy: -191.601
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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2167.233264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.233264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.233264 (E_RNA)
where:
Base-Base interactions energy: -1528.043
where: short stacking energy: -619.492
Base-Backbone interact. energy: 2.434
local terms energy: -641.624253
where:
bonds (distance) C4'-P energy: -116.170
bonds (distance) P-C4' energy: -121.074
flat angles C4'-P-C4' energy: -141.859
flat angles P-C4'-P energy: -93.853
tors. eta vs tors. theta energy: -168.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2012.881528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.881528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.881528 (E_RNA)
where:
Base-Base interactions energy: -1394.267
where: short stacking energy: -592.970
Base-Backbone interact. energy: 8.527
local terms energy: -627.141412
where:
bonds (distance) C4'-P energy: -119.219
bonds (distance) P-C4' energy: -126.665
flat angles C4'-P-C4' energy: -122.833
flat angles P-C4'-P energy: -83.822
tors. eta vs tors. theta energy: -174.603
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: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1982.137418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.137418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.137418 (E_RNA)
where:
Base-Base interactions energy: -1357.272
where: short stacking energy: -573.987
Base-Backbone interact. energy: -0.344
local terms energy: -624.520789
where:
bonds (distance) C4'-P energy: -122.845
bonds (distance) P-C4' energy: -123.345
flat angles C4'-P-C4' energy: -132.282
flat angles P-C4'-P energy: -82.423
tors. eta vs tors. theta energy: -163.627
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: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1725.961811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.961811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.961811 (E_RNA)
where:
Base-Base interactions energy: -1151.814
where: short stacking energy: -507.874
Base-Backbone interact. energy: -4.441
local terms energy: -569.706547
where:
bonds (distance) C4'-P energy: -112.516
bonds (distance) P-C4' energy: -116.898
flat angles C4'-P-C4' energy: -121.034
flat angles P-C4'-P energy: -72.060
tors. eta vs tors. theta energy: -147.199
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: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1553.191094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.191094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.191094 (E_RNA)
where:
Base-Base interactions energy: -1055.125
where: short stacking energy: -445.295
Base-Backbone interact. energy: -0.838
local terms energy: -497.228060
where:
bonds (distance) C4'-P energy: -94.699
bonds (distance) P-C4' energy: -99.405
flat angles C4'-P-C4' energy: -125.864
flat angles P-C4'-P energy: -78.712
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1073.561792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.561792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.561792 (E_RNA)
where:
Base-Base interactions energy: -651.141
where: short stacking energy: -314.383
Base-Backbone interact. energy: 1.053
local terms energy: -423.473339
where:
bonds (distance) C4'-P energy: -117.145
bonds (distance) P-C4' energy: -107.084
flat angles C4'-P-C4' energy: -103.926
flat angles P-C4'-P energy: -61.374
tors. eta vs tors. theta energy: -33.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1110.114210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.114210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.114210 (E_RNA)
where:
Base-Base interactions energy: -672.082
where: short stacking energy: -297.175
Base-Backbone interact. energy: 1.993
local terms energy: -440.025562
where:
bonds (distance) C4'-P energy: -102.965
bonds (distance) P-C4' energy: -110.119
flat angles C4'-P-C4' energy: -101.088
flat angles P-C4'-P energy: -74.553
tors. eta vs tors. theta energy: -51.302
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: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -681.507939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.507939 (E_RNA)
where:
Base-Base interactions energy: -316.877
where: short stacking energy: -189.387
Base-Backbone interact. energy: -2.663
local terms energy: -361.968570
where:
bonds (distance) C4'-P energy: -98.241
bonds (distance) P-C4' energy: -116.686
flat angles C4'-P-C4' energy: -83.622
flat angles P-C4'-P energy: -64.340
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2287.791534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.791534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.791534 (E_RNA)
where:
Base-Base interactions energy: -1627.465
where: short stacking energy: -633.589
Base-Backbone interact. energy: -5.239
local terms energy: -655.087752
where:
bonds (distance) C4'-P energy: -135.964
bonds (distance) P-C4' energy: -112.779
flat angles C4'-P-C4' energy: -146.119
flat angles P-C4'-P energy: -100.037
tors. eta vs tors. theta energy: -160.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2211.890254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.890254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.890254 (E_RNA)
where:
Base-Base interactions energy: -1487.019
where: short stacking energy: -658.546
Base-Backbone interact. energy: -2.544
local terms energy: -722.327435
where:
bonds (distance) C4'-P energy: -133.551
bonds (distance) P-C4' energy: -141.560
flat angles C4'-P-C4' energy: -144.533
flat angles P-C4'-P energy: -98.794
tors. eta vs tors. theta energy: -203.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2168.306870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.306870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.306870 (E_RNA)
where:
Base-Base interactions energy: -1527.176
where: short stacking energy: -631.063
Base-Backbone interact. energy: -0.642
local terms energy: -640.489109
where:
bonds (distance) C4'-P energy: -122.262
bonds (distance) P-C4' energy: -120.745
flat angles C4'-P-C4' energy: -136.577
flat angles P-C4'-P energy: -97.779
tors. eta vs tors. theta energy: -163.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2031.407476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.407476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.407476 (E_RNA)
where:
Base-Base interactions energy: -1420.524
where: short stacking energy: -601.391
Base-Backbone interact. energy: -2.226
local terms energy: -608.657614
where:
bonds (distance) C4'-P energy: -110.138
bonds (distance) P-C4' energy: -129.631
flat angles C4'-P-C4' energy: -140.563
flat angles P-C4'-P energy: -71.801
tors. eta vs tors. theta energy: -156.524
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: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1958.695339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.695339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.695339 (E_RNA)
where:
Base-Base interactions energy: -1366.863
where: short stacking energy: -574.779
Base-Backbone interact. energy: -3.929
local terms energy: -587.903203
where:
bonds (distance) C4'-P energy: -96.019
bonds (distance) P-C4' energy: -109.226
flat angles C4'-P-C4' energy: -125.903
flat angles P-C4'-P energy: -98.962
tors. eta vs tors. theta energy: -157.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1709.822794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.822794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.822794 (E_RNA)
where:
Base-Base interactions energy: -1139.192
where: short stacking energy: -496.113
Base-Backbone interact. energy: -0.883
local terms energy: -569.748531
where:
bonds (distance) C4'-P energy: -112.537
bonds (distance) P-C4' energy: -121.755
flat angles C4'-P-C4' energy: -122.641
flat angles P-C4'-P energy: -93.409
tors. eta vs tors. theta energy: -119.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1550.870395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.870395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.870395 (E_RNA)
where:
Base-Base interactions energy: -1024.230
where: short stacking energy: -423.600
Base-Backbone interact. energy: -3.202
local terms energy: -523.438750
where:
bonds (distance) C4'-P energy: -109.831
bonds (distance) P-C4' energy: -121.152
flat angles C4'-P-C4' energy: -118.200
flat angles P-C4'-P energy: -61.553
tors. eta vs tors. theta energy: -112.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1177.929932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.929932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.929932 (E_RNA)
where:
Base-Base interactions energy: -733.880
where: short stacking energy: -324.540
Base-Backbone interact. energy: -3.480
local terms energy: -440.569480
where:
bonds (distance) C4'-P energy: -97.347
bonds (distance) P-C4' energy: -113.190
flat angles C4'-P-C4' energy: -100.613
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: -62.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1143.770017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.770017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.770017 (E_RNA)
where:
Base-Base interactions energy: -700.461
where: short stacking energy: -329.764
Base-Backbone interact. energy: -3.329
local terms energy: -439.980628
where:
bonds (distance) C4'-P energy: -97.787
bonds (distance) P-C4' energy: -126.731
flat angles C4'-P-C4' energy: -113.856
flat angles P-C4'-P energy: -52.401
tors. eta vs tors. theta energy: -49.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -641.338129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.338129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.338129 (E_RNA)
where:
Base-Base interactions energy: -288.147
where: short stacking energy: -178.957
Base-Backbone interact. energy: 0.743
local terms energy: -353.934174
where:
bonds (distance) C4'-P energy: -89.435
bonds (distance) P-C4' energy: -114.327
flat angles C4'-P-C4' energy: -109.875
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: 4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2309.379908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.379908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.379908 (E_RNA)
where:
Base-Base interactions energy: -1652.378
where: short stacking energy: -636.509
Base-Backbone interact. energy: -2.162
local terms energy: -654.839931
where:
bonds (distance) C4'-P energy: -121.420
bonds (distance) P-C4' energy: -129.487
flat angles C4'-P-C4' energy: -136.454
flat angles P-C4'-P energy: -99.321
tors. eta vs tors. theta energy: -168.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2225.639637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.639637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.639637 (E_RNA)
where:
Base-Base interactions energy: -1512.924
where: short stacking energy: -652.805
Base-Backbone interact. energy: -3.890
local terms energy: -708.825586
where:
bonds (distance) C4'-P energy: -126.660
bonds (distance) P-C4' energy: -132.420
flat angles C4'-P-C4' energy: -154.869
flat angles P-C4'-P energy: -109.872
tors. eta vs tors. theta energy: -185.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2157.959026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.959026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.959026 (E_RNA)
where:
Base-Base interactions energy: -1540.340
where: short stacking energy: -646.397
Base-Backbone interact. energy: -3.516
local terms energy: -614.102368
where:
bonds (distance) C4'-P energy: -107.088
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -138.145
flat angles P-C4'-P energy: -90.480
tors. eta vs tors. theta energy: -165.861
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: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1983.105621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.105621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.105621 (E_RNA)
where:
Base-Base interactions energy: -1360.348
where: short stacking energy: -580.707
Base-Backbone interact. energy: 3.296
local terms energy: -626.053667
where:
bonds (distance) C4'-P energy: -117.964
bonds (distance) P-C4' energy: -125.130
flat angles C4'-P-C4' energy: -134.840
flat angles P-C4'-P energy: -87.921
tors. eta vs tors. theta energy: -160.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1963.242324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.242324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.242324 (E_RNA)
where:
Base-Base interactions energy: -1367.576
where: short stacking energy: -574.589
Base-Backbone interact. energy: -2.278
local terms energy: -593.387698
where:
bonds (distance) C4'-P energy: -95.056
bonds (distance) P-C4' energy: -128.597
flat angles C4'-P-C4' energy: -138.136
flat angles P-C4'-P energy: -78.235
tors. eta vs tors. theta energy: -153.364
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: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1732.280400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.280400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.280400 (E_RNA)
where:
Base-Base interactions energy: -1171.227
where: short stacking energy: -520.023
Base-Backbone interact. energy: -1.914
local terms energy: -559.139484
where:
bonds (distance) C4'-P energy: -103.939
bonds (distance) P-C4' energy: -116.465
flat angles C4'-P-C4' energy: -127.031
flat angles P-C4'-P energy: -79.773
tors. eta vs tors. theta energy: -131.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1552.768983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.768983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.768983 (E_RNA)
where:
Base-Base interactions energy: -1014.095
where: short stacking energy: -444.392
Base-Backbone interact. energy: -1.460
local terms energy: -537.213862
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -123.329
flat angles C4'-P-C4' energy: -111.255
flat angles P-C4'-P energy: -84.296
tors. eta vs tors. theta energy: -101.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1149.241257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.241257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.241257 (E_RNA)
where:
Base-Base interactions energy: -707.449
where: short stacking energy: -321.078
Base-Backbone interact. energy: 1.280
local terms energy: -443.072983
where:
bonds (distance) C4'-P energy: -116.039
bonds (distance) P-C4' energy: -115.524
flat angles C4'-P-C4' energy: -110.251
flat angles P-C4'-P energy: -47.438
tors. eta vs tors. theta energy: -53.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1139.215027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.215027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.215027 (E_RNA)
where:
Base-Base interactions energy: -724.397
where: short stacking energy: -336.639
Base-Backbone interact. energy: 1.163
local terms energy: -415.980436
where:
bonds (distance) C4'-P energy: -94.215
bonds (distance) P-C4' energy: -103.154
flat angles C4'-P-C4' energy: -113.162
flat angles P-C4'-P energy: -57.575
tors. eta vs tors. theta energy: -47.874
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: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -672.730920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.730920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.730920 (E_RNA)
where:
Base-Base interactions energy: -325.930
where: short stacking energy: -182.854
Base-Backbone interact. energy: -1.909
local terms energy: -344.892694
where:
bonds (distance) C4'-P energy: -92.464
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -48.274
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2330.547058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.547058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.547058 (E_RNA)
where:
Base-Base interactions energy: -1637.798
where: short stacking energy: -665.695
Base-Backbone interact. energy: -3.269
local terms energy: -689.479986
where:
bonds (distance) C4'-P energy: -119.534
bonds (distance) P-C4' energy: -128.780
flat angles C4'-P-C4' energy: -158.946
flat angles P-C4'-P energy: -100.317
tors. eta vs tors. theta energy: -181.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2217.543522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.543522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.543522 (E_RNA)
where:
Base-Base interactions energy: -1521.715
where: short stacking energy: -632.735
Base-Backbone interact. energy: -2.286
local terms energy: -693.542801
where:
bonds (distance) C4'-P energy: -140.002
bonds (distance) P-C4' energy: -129.315
flat angles C4'-P-C4' energy: -152.327
flat angles P-C4'-P energy: -101.178
tors. eta vs tors. theta energy: -170.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2171.556822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.556822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.556822 (E_RNA)
where:
Base-Base interactions energy: -1486.567
where: short stacking energy: -673.772
Base-Backbone interact. energy: 0.502
local terms energy: -685.491737
where:
bonds (distance) C4'-P energy: -120.668
bonds (distance) P-C4' energy: -119.923
flat angles C4'-P-C4' energy: -144.661
flat angles P-C4'-P energy: -96.826
tors. eta vs tors. theta energy: -203.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1994.414925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.414925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.414925 (E_RNA)
where:
Base-Base interactions energy: -1360.305
where: short stacking energy: -537.505
Base-Backbone interact. energy: -0.620
local terms energy: -633.490498
where:
bonds (distance) C4'-P energy: -124.682
bonds (distance) P-C4' energy: -130.501
flat angles C4'-P-C4' energy: -141.219
flat angles P-C4'-P energy: -94.848
tors. eta vs tors. theta energy: -142.241
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: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1896.585313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.585313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.585313 (E_RNA)
where:
Base-Base interactions energy: -1336.477
where: short stacking energy: -596.689
Base-Backbone interact. energy: 7.572
local terms energy: -567.679983
where:
bonds (distance) C4'-P energy: -95.338
bonds (distance) P-C4' energy: -119.472
flat angles C4'-P-C4' energy: -120.144
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: -157.302
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1691.825008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.825008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.825008 (E_RNA)
where:
Base-Base interactions energy: -1134.290
where: short stacking energy: -485.182
Base-Backbone interact. energy: -2.156
local terms energy: -555.379568
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -118.347
flat angles C4'-P-C4' energy: -123.681
flat angles P-C4'-P energy: -78.313
tors. eta vs tors. theta energy: -113.569
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: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1600.551333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.551333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.551333 (E_RNA)
where:
Base-Base interactions energy: -1057.550
where: short stacking energy: -473.418
Base-Backbone interact. energy: -0.953
local terms energy: -542.048054
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -99.875
flat angles C4'-P-C4' energy: -114.251
flat angles P-C4'-P energy: -84.982
tors. eta vs tors. theta energy: -118.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1201.539829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.539829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.539829 (E_RNA)
where:
Base-Base interactions energy: -729.033
where: short stacking energy: -349.434
Base-Backbone interact. energy: -2.340
local terms energy: -470.167419
where:
bonds (distance) C4'-P energy: -105.523
bonds (distance) P-C4' energy: -111.073
flat angles C4'-P-C4' energy: -111.311
flat angles P-C4'-P energy: -84.567
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1102.501438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.501438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.501438 (E_RNA)
where:
Base-Base interactions energy: -692.469
where: short stacking energy: -333.201
Base-Backbone interact. energy: 0.839
local terms energy: -410.871723
where:
bonds (distance) C4'-P energy: -114.094
bonds (distance) P-C4' energy: -96.293
flat angles C4'-P-C4' energy: -79.051
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -58.156
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: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -626.331845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.331845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.331845 (E_RNA)
where:
Base-Base interactions energy: -249.511
where: short stacking energy: -174.654
Base-Backbone interact. energy: 3.262
local terms energy: -380.083233
where:
bonds (distance) C4'-P energy: -105.718
bonds (distance) P-C4' energy: -113.927
flat angles C4'-P-C4' energy: -108.304
flat angles P-C4'-P energy: -67.636
tors. eta vs tors. theta energy: 15.501
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: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2312.729259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.729259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.729259 (E_RNA)
where:
Base-Base interactions energy: -1647.713
where: short stacking energy: -649.705
Base-Backbone interact. energy: -5.216
local terms energy: -659.800085
where:
bonds (distance) C4'-P energy: -131.748
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -143.727
flat angles P-C4'-P energy: -86.466
tors. eta vs tors. theta energy: -167.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2214.614595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.614595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.614595 (E_RNA)
where:
Base-Base interactions energy: -1538.506
where: short stacking energy: -627.524
Base-Backbone interact. energy: -3.056
local terms energy: -673.052951
where:
bonds (distance) C4'-P energy: -129.596
bonds (distance) P-C4' energy: -123.810
flat angles C4'-P-C4' energy: -147.267
flat angles P-C4'-P energy: -106.420
tors. eta vs tors. theta energy: -165.961
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: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2143.792469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.792469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.792469 (E_RNA)
where:
Base-Base interactions energy: -1484.003
where: short stacking energy: -650.388
Base-Backbone interact. energy: -3.707
local terms energy: -656.082681
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -123.405
flat angles C4'-P-C4' energy: -132.318
flat angles P-C4'-P energy: -102.115
tors. eta vs tors. theta energy: -187.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2009.551577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.551577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.551577 (E_RNA)
where:
Base-Base interactions energy: -1384.294
where: short stacking energy: -566.283
Base-Backbone interact. energy: 3.419
local terms energy: -628.676956
where:
bonds (distance) C4'-P energy: -125.661
bonds (distance) P-C4' energy: -123.665
flat angles C4'-P-C4' energy: -145.197
flat angles P-C4'-P energy: -90.067
tors. eta vs tors. theta energy: -144.087
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: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1970.052382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.052382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.052382 (E_RNA)
where:
Base-Base interactions energy: -1330.528
where: short stacking energy: -586.278
Base-Backbone interact. energy: 0.055
local terms energy: -639.578986
where:
bonds (distance) C4'-P energy: -126.862
bonds (distance) P-C4' energy: -122.935
flat angles C4'-P-C4' energy: -134.987
flat angles P-C4'-P energy: -94.700
tors. eta vs tors. theta energy: -160.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1664.273439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.273439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.273439 (E_RNA)
where:
Base-Base interactions energy: -1112.791
where: short stacking energy: -494.048
Base-Backbone interact. energy: 1.379
local terms energy: -552.861322
where:
bonds (distance) C4'-P energy: -103.927
bonds (distance) P-C4' energy: -123.057
flat angles C4'-P-C4' energy: -128.875
flat angles P-C4'-P energy: -75.401
tors. eta vs tors. theta energy: -121.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1649.305979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.305979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.305979 (E_RNA)
where:
Base-Base interactions energy: -1116.699
where: short stacking energy: -481.623
Base-Backbone interact. energy: -1.128
local terms energy: -531.478705
where:
bonds (distance) C4'-P energy: -105.568
bonds (distance) P-C4' energy: -115.127
flat angles C4'-P-C4' energy: -120.902
flat angles P-C4'-P energy: -78.217
tors. eta vs tors. theta energy: -111.664
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: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1189.894694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.894694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.894694 (E_RNA)
where:
Base-Base interactions energy: -719.503
where: short stacking energy: -365.888
Base-Backbone interact. energy: -2.115
local terms energy: -468.276980
where:
bonds (distance) C4'-P energy: -117.733
bonds (distance) P-C4' energy: -107.404
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -74.660
tors. eta vs tors. theta energy: -73.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1068.836399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.836399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.836399 (E_RNA)
where:
Base-Base interactions energy: -645.249
where: short stacking energy: -299.202
Base-Backbone interact. energy: 2.285
local terms energy: -425.872042
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -116.063
flat angles C4'-P-C4' energy: -104.138
flat angles P-C4'-P energy: -66.925
tors. eta vs tors. theta energy: -37.638
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: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -630.403485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.403485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.403485 (E_RNA)
where:
Base-Base interactions energy: -289.184
where: short stacking energy: -189.660
Base-Backbone interact. energy: -5.520
local terms energy: -335.699438
where:
bonds (distance) C4'-P energy: -93.628
bonds (distance) P-C4' energy: -105.807
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: 10.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2324.450366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.450366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.450366 (E_RNA)
where:
Base-Base interactions energy: -1648.782
where: short stacking energy: -658.029
Base-Backbone interact. energy: -4.215
local terms energy: -671.453210
where:
bonds (distance) C4'-P energy: -122.007
bonds (distance) P-C4' energy: -142.425
flat angles C4'-P-C4' energy: -136.801
flat angles P-C4'-P energy: -93.005
tors. eta vs tors. theta energy: -177.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2218.689084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.689084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.689084 (E_RNA)
where:
Base-Base interactions energy: -1552.596
where: short stacking energy: -662.584
Base-Backbone interact. energy: -1.638
local terms energy: -664.455643
where:
bonds (distance) C4'-P energy: -125.501
bonds (distance) P-C4' energy: -133.373
flat angles C4'-P-C4' energy: -128.106
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -186.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2177.937978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.937978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.937978 (E_RNA)
where:
Base-Base interactions energy: -1548.628
where: short stacking energy: -638.036
Base-Backbone interact. energy: -3.031
local terms energy: -626.278548
where:
bonds (distance) C4'-P energy: -129.127
bonds (distance) P-C4' energy: -120.275
flat angles C4'-P-C4' energy: -125.657
flat angles P-C4'-P energy: -84.464
tors. eta vs tors. theta energy: -166.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2014.852940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.852940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.852940 (E_RNA)
where:
Base-Base interactions energy: -1376.918
where: short stacking energy: -590.163
Base-Backbone interact. energy: -3.092
local terms energy: -634.842592
where:
bonds (distance) C4'-P energy: -113.230
bonds (distance) P-C4' energy: -119.037
flat angles C4'-P-C4' energy: -146.118
flat angles P-C4'-P energy: -88.175
tors. eta vs tors. theta energy: -168.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1978.045300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.045300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.045300 (E_RNA)
where:
Base-Base interactions energy: -1391.295
where: short stacking energy: -573.624
Base-Backbone interact. energy: 4.313
local terms energy: -591.063349
where:
bonds (distance) C4'-P energy: -109.437
bonds (distance) P-C4' energy: -123.556
flat angles C4'-P-C4' energy: -132.781
flat angles P-C4'-P energy: -79.542
tors. eta vs tors. theta energy: -145.746
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1651.227681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.227681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.227681 (E_RNA)
where:
Base-Base interactions energy: -1109.690
where: short stacking energy: -477.020
Base-Backbone interact. energy: -2.690
local terms energy: -538.847276
where:
bonds (distance) C4'-P energy: -111.161
bonds (distance) P-C4' energy: -113.650
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -72.399
tors. eta vs tors. theta energy: -122.289
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: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1600.192179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.192179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.192179 (E_RNA)
where:
Base-Base interactions energy: -1064.713
where: short stacking energy: -482.248
Base-Backbone interact. energy: -3.179
local terms energy: -532.300399
where:
bonds (distance) C4'-P energy: -121.586
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -125.515
flat angles P-C4'-P energy: -82.012
tors. eta vs tors. theta energy: -102.922
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1184.261997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.261997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.261997 (E_RNA)
where:
Base-Base interactions energy: -755.374
where: short stacking energy: -371.574
Base-Backbone interact. energy: -3.661
local terms energy: -425.226092
where:
bonds (distance) C4'-P energy: -95.872
bonds (distance) P-C4' energy: -103.754
flat angles C4'-P-C4' energy: -110.582
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -63.830
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: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1091.664045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.664045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.664045 (E_RNA)
where:
Base-Base interactions energy: -673.823
where: short stacking energy: -320.803
Base-Backbone interact. energy: 1.872
local terms energy: -419.712970
where:
bonds (distance) C4'-P energy: -88.994
bonds (distance) P-C4' energy: -111.872
flat angles C4'-P-C4' energy: -103.536
flat angles P-C4'-P energy: -66.409
tors. eta vs tors. theta energy: -48.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -625.311339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.311339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.311339 (E_RNA)
where:
Base-Base interactions energy: -288.240
where: short stacking energy: -180.937
Base-Backbone interact. energy: -1.218
local terms energy: -335.853298
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -103.723
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -50.862
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2332.367894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.367894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.367894 (E_RNA)
where:
Base-Base interactions energy: -1616.215
where: short stacking energy: -639.473
Base-Backbone interact. energy: -5.841
local terms energy: -710.311793
where:
bonds (distance) C4'-P energy: -136.615
bonds (distance) P-C4' energy: -139.457
flat angles C4'-P-C4' energy: -150.790
flat angles P-C4'-P energy: -108.778
tors. eta vs tors. theta energy: -174.671
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: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2222.615002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.615002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.615002 (E_RNA)
where:
Base-Base interactions energy: -1532.226
where: short stacking energy: -664.413
Base-Backbone interact. energy: -2.767
local terms energy: -687.621739
where:
bonds (distance) C4'-P energy: -120.879
bonds (distance) P-C4' energy: -133.631
flat angles C4'-P-C4' energy: -146.936
flat angles P-C4'-P energy: -89.216
tors. eta vs tors. theta energy: -196.960
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: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2160.421591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.421591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.421591 (E_RNA)
where:
Base-Base interactions energy: -1508.974
where: short stacking energy: -606.585
Base-Backbone interact. energy: -6.230
local terms energy: -645.217249
where:
bonds (distance) C4'-P energy: -127.901
bonds (distance) P-C4' energy: -123.344
flat angles C4'-P-C4' energy: -129.801
flat angles P-C4'-P energy: -90.491
tors. eta vs tors. theta energy: -173.680
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: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1986.903459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.903459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.903459 (E_RNA)
where:
Base-Base interactions energy: -1347.320
where: short stacking energy: -594.523
Base-Backbone interact. energy: 0.058
local terms energy: -639.641633
where:
bonds (distance) C4'-P energy: -118.891
bonds (distance) P-C4' energy: -112.794
flat angles C4'-P-C4' energy: -142.579
flat angles P-C4'-P energy: -97.895
tors. eta vs tors. theta energy: -167.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1938.977179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.977179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.977179 (E_RNA)
where:
Base-Base interactions energy: -1318.428
where: short stacking energy: -554.908
Base-Backbone interact. energy: -3.763
local terms energy: -616.786240
where:
bonds (distance) C4'-P energy: -107.694
bonds (distance) P-C4' energy: -131.777
flat angles C4'-P-C4' energy: -128.205
flat angles P-C4'-P energy: -97.383
tors. eta vs tors. theta energy: -151.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1638.764470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.764470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.764470 (E_RNA)
where:
Base-Base interactions energy: -1087.552
where: short stacking energy: -500.544
Base-Backbone interact. energy: 0.927
local terms energy: -552.139420
where:
bonds (distance) C4'-P energy: -107.073
bonds (distance) P-C4' energy: -122.077
flat angles C4'-P-C4' energy: -130.310
flat angles P-C4'-P energy: -66.654
tors. eta vs tors. theta energy: -126.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1569.327728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.327728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.327728 (E_RNA)
where:
Base-Base interactions energy: -1026.422
where: short stacking energy: -439.139
Base-Backbone interact. energy: -3.157
local terms energy: -539.748107
where:
bonds (distance) C4'-P energy: -105.780
bonds (distance) P-C4' energy: -115.649
flat angles C4'-P-C4' energy: -124.618
flat angles P-C4'-P energy: -73.083
tors. eta vs tors. theta energy: -120.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1181.415874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.415874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.415874 (E_RNA)
where:
Base-Base interactions energy: -742.172
where: short stacking energy: -353.704
Base-Backbone interact. energy: -0.568
local terms energy: -438.676293
where:
bonds (distance) C4'-P energy: -93.292
bonds (distance) P-C4' energy: -116.026
flat angles C4'-P-C4' energy: -110.001
flat angles P-C4'-P energy: -57.792
tors. eta vs tors. theta energy: -61.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1098.308073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.308073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.308073 (E_RNA)
where:
Base-Base interactions energy: -677.389
where: short stacking energy: -314.734
Base-Backbone interact. energy: -7.593
local terms energy: -413.325727
where:
bonds (distance) C4'-P energy: -110.885
bonds (distance) P-C4' energy: -113.497
flat angles C4'-P-C4' energy: -106.072
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -37.936
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: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -684.001483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.001483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.001483 (E_RNA)
where:
Base-Base interactions energy: -354.281
where: short stacking energy: -221.580
Base-Backbone interact. energy: 5.364
local terms energy: -335.084427
where:
bonds (distance) C4'-P energy: -91.769
bonds (distance) P-C4' energy: -99.040
flat angles C4'-P-C4' energy: -75.292
flat angles P-C4'-P energy: -60.707
tors. eta vs tors. theta energy: -8.277
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: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2323.218774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.218774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.218774 (E_RNA)
where:
Base-Base interactions energy: -1623.004
where: short stacking energy: -645.255
Base-Backbone interact. energy: -3.205
local terms energy: -697.009626
where:
bonds (distance) C4'-P energy: -132.018
bonds (distance) P-C4' energy: -131.286
flat angles C4'-P-C4' energy: -149.137
flat angles P-C4'-P energy: -106.598
tors. eta vs tors. theta energy: -177.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2269.100762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.100762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.100762 (E_RNA)
where:
Base-Base interactions energy: -1571.532
where: short stacking energy: -682.289
Base-Backbone interact. energy: -1.047
local terms energy: -696.522276
where:
bonds (distance) C4'-P energy: -128.720
bonds (distance) P-C4' energy: -131.539
flat angles C4'-P-C4' energy: -150.796
flat angles P-C4'-P energy: -92.449
tors. eta vs tors. theta energy: -193.017
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2137.071434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.071434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.071434 (E_RNA)
where:
Base-Base interactions energy: -1518.121
where: short stacking energy: -601.131
Base-Backbone interact. energy: -2.123
local terms energy: -616.826720
where:
bonds (distance) C4'-P energy: -110.844
bonds (distance) P-C4' energy: -122.951
flat angles C4'-P-C4' energy: -145.067
flat angles P-C4'-P energy: -80.781
tors. eta vs tors. theta energy: -157.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1991.857203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.857203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.857203 (E_RNA)
where:
Base-Base interactions energy: -1359.175
where: short stacking energy: -602.603
Base-Backbone interact. energy: -3.118
local terms energy: -629.563908
where:
bonds (distance) C4'-P energy: -118.097
bonds (distance) P-C4' energy: -115.509
flat angles C4'-P-C4' energy: -138.774
flat angles P-C4'-P energy: -84.534
tors. eta vs tors. theta energy: -172.649
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: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1954.770220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.770220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.770220 (E_RNA)
where:
Base-Base interactions energy: -1342.608
where: short stacking energy: -577.158
Base-Backbone interact. energy: -4.176
local terms energy: -607.986615
where:
bonds (distance) C4'-P energy: -103.980
bonds (distance) P-C4' energy: -114.801
flat angles C4'-P-C4' energy: -142.474
flat angles P-C4'-P energy: -97.965
tors. eta vs tors. theta energy: -148.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1668.997085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.997085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.997085 (E_RNA)
where:
Base-Base interactions energy: -1130.179
where: short stacking energy: -501.901
Base-Backbone interact. energy: 0.624
local terms energy: -539.441683
where:
bonds (distance) C4'-P energy: -98.908
bonds (distance) P-C4' energy: -106.368
flat angles C4'-P-C4' energy: -126.095
flat angles P-C4'-P energy: -82.564
tors. eta vs tors. theta energy: -125.506
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: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1549.685311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.685311 (E_RNA)
where:
Base-Base interactions energy: -1006.759
where: short stacking energy: -467.803
Base-Backbone interact. energy: -2.089
local terms energy: -540.837142
where:
bonds (distance) C4'-P energy: -118.332
bonds (distance) P-C4' energy: -118.918
flat angles C4'-P-C4' energy: -123.406
flat angles P-C4'-P energy: -66.662
tors. eta vs tors. theta energy: -113.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1158.682678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.682678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.682678 (E_RNA)
where:
Base-Base interactions energy: -699.704
where: short stacking energy: -319.030
Base-Backbone interact. energy: -0.707
local terms energy: -458.272267
where:
bonds (distance) C4'-P energy: -111.665
bonds (distance) P-C4' energy: -117.495
flat angles C4'-P-C4' energy: -105.640
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -50.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1086.907687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.907687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.907687 (E_RNA)
where:
Base-Base interactions energy: -656.507
where: short stacking energy: -299.600
Base-Backbone interact. energy: 4.961
local terms energy: -435.361783
where:
bonds (distance) C4'-P energy: -105.623
bonds (distance) P-C4' energy: -123.575
flat angles C4'-P-C4' energy: -107.894
flat angles P-C4'-P energy: -65.400
tors. eta vs tors. theta energy: -32.870
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: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -652.264572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.264572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.264572 (E_RNA)
where:
Base-Base interactions energy: -308.336
where: short stacking energy: -202.630
Base-Backbone interact. energy: -3.417
local terms energy: -340.511097
where:
bonds (distance) C4'-P energy: -106.214
bonds (distance) P-C4' energy: -91.461
flat angles C4'-P-C4' energy: -98.453
flat angles P-C4'-P energy: -50.974
tors. eta vs tors. theta energy: 6.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2348.846537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.846537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.846537 (E_RNA)
where:
Base-Base interactions energy: -1668.296
where: short stacking energy: -675.475
Base-Backbone interact. energy: -3.036
local terms energy: -677.514230
where:
bonds (distance) C4'-P energy: -115.162
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -150.880
flat angles P-C4'-P energy: -106.252
tors. eta vs tors. theta energy: -184.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2235.833492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.833492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.833492 (E_RNA)
where:
Base-Base interactions energy: -1552.978
where: short stacking energy: -655.785
Base-Backbone interact. energy: -4.609
local terms energy: -678.247041
where:
bonds (distance) C4'-P energy: -126.049
bonds (distance) P-C4' energy: -124.407
flat angles C4'-P-C4' energy: -147.661
flat angles P-C4'-P energy: -88.390
tors. eta vs tors. theta energy: -191.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2178.509293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.509293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.509293 (E_RNA)
where:
Base-Base interactions energy: -1537.565
where: short stacking energy: -643.435
Base-Backbone interact. energy: -4.852
local terms energy: -636.092922
where:
bonds (distance) C4'-P energy: -106.901
bonds (distance) P-C4' energy: -125.158
flat angles C4'-P-C4' energy: -138.145
flat angles P-C4'-P energy: -95.349
tors. eta vs tors. theta energy: -170.540
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: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2015.829433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.829433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.829433 (E_RNA)
where:
Base-Base interactions energy: -1344.483
where: short stacking energy: -572.939
Base-Backbone interact. energy: -1.027
local terms energy: -670.319315
where:
bonds (distance) C4'-P energy: -128.266
bonds (distance) P-C4' energy: -133.197
flat angles C4'-P-C4' energy: -148.875
flat angles P-C4'-P energy: -91.198
tors. eta vs tors. theta energy: -168.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1893.673273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.673273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.673273 (E_RNA)
where:
Base-Base interactions energy: -1301.622
where: short stacking energy: -533.077
Base-Backbone interact. energy: 2.893
local terms energy: -594.944957
where:
bonds (distance) C4'-P energy: -126.810
bonds (distance) P-C4' energy: -122.162
flat angles C4'-P-C4' energy: -124.329
flat angles P-C4'-P energy: -74.150
tors. eta vs tors. theta energy: -147.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1700.545236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.545236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.545236 (E_RNA)
where:
Base-Base interactions energy: -1145.583
where: short stacking energy: -509.093
Base-Backbone interact. energy: -2.035
local terms energy: -552.927146
where:
bonds (distance) C4'-P energy: -105.492
bonds (distance) P-C4' energy: -121.943
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -75.831
tors. eta vs tors. theta energy: -131.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1558.301377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.301377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.301377 (E_RNA)
where:
Base-Base interactions energy: -1011.995
where: short stacking energy: -447.601
Base-Backbone interact. energy: 0.997
local terms energy: -547.303236
where:
bonds (distance) C4'-P energy: -119.996
bonds (distance) P-C4' energy: -121.998
flat angles C4'-P-C4' energy: -114.711
flat angles P-C4'-P energy: -68.054
tors. eta vs tors. theta energy: -122.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1215.069049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.069049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.069049 (E_RNA)
where:
Base-Base interactions energy: -754.231
where: short stacking energy: -350.346
Base-Backbone interact. energy: -2.705
local terms energy: -458.133079
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -111.901
flat angles C4'-P-C4' energy: -101.563
flat angles P-C4'-P energy: -66.076
tors. eta vs tors. theta energy: -70.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1004.569348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.569348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.569348 (E_RNA)
where:
Base-Base interactions energy: -589.875
where: short stacking energy: -282.181
Base-Backbone interact. energy: -2.228
local terms energy: -412.466354
where:
bonds (distance) C4'-P energy: -107.258
bonds (distance) P-C4' energy: -114.040
flat angles C4'-P-C4' energy: -100.955
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -38.973
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: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -638.269698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.269698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.269698 (E_RNA)
where:
Base-Base interactions energy: -272.457
where: short stacking energy: -183.311
Base-Backbone interact. energy: -2.558
local terms energy: -363.254448
where:
bonds (distance) C4'-P energy: -104.277
bonds (distance) P-C4' energy: -113.710
flat angles C4'-P-C4' energy: -108.653
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: 9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2343.096330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.096330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.096330 (E_RNA)
where:
Base-Base interactions energy: -1651.748
where: short stacking energy: -670.668
Base-Backbone interact. energy: -3.251
local terms energy: -688.096852
where:
bonds (distance) C4'-P energy: -103.283
bonds (distance) P-C4' energy: -141.102
flat angles C4'-P-C4' energy: -150.702
flat angles P-C4'-P energy: -102.977
tors. eta vs tors. theta energy: -190.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2260.108746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.108746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.108746 (E_RNA)
where:
Base-Base interactions energy: -1547.520
where: short stacking energy: -667.967
Base-Backbone interact. energy: 0.406
local terms energy: -712.994776
where:
bonds (distance) C4'-P energy: -128.282
bonds (distance) P-C4' energy: -128.892
flat angles C4'-P-C4' energy: -156.885
flat angles P-C4'-P energy: -102.622
tors. eta vs tors. theta energy: -196.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2158.645651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.645651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.645651 (E_RNA)
where:
Base-Base interactions energy: -1532.017
where: short stacking energy: -609.942
Base-Backbone interact. energy: -1.693
local terms energy: -624.935994
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -134.697
flat angles P-C4'-P energy: -93.738
tors. eta vs tors. theta energy: -165.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2008.963240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.963240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.963240 (E_RNA)
where:
Base-Base interactions energy: -1380.622
where: short stacking energy: -612.937
Base-Backbone interact. energy: -2.166
local terms energy: -626.175329
where:
bonds (distance) C4'-P energy: -114.544
bonds (distance) P-C4' energy: -113.386
flat angles C4'-P-C4' energy: -141.469
flat angles P-C4'-P energy: -87.995
tors. eta vs tors. theta energy: -168.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1894.549726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.549726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.549726 (E_RNA)
where:
Base-Base interactions energy: -1278.253
where: short stacking energy: -568.635
Base-Backbone interact. energy: -0.905
local terms energy: -615.391648
where:
bonds (distance) C4'-P energy: -116.991
bonds (distance) P-C4' energy: -112.827
flat angles C4'-P-C4' energy: -138.875
flat angles P-C4'-P energy: -88.212
tors. eta vs tors. theta energy: -158.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1694.155251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.155251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.155251 (E_RNA)
where:
Base-Base interactions energy: -1128.996
where: short stacking energy: -492.280
Base-Backbone interact. energy: -1.751
local terms energy: -563.408178
where:
bonds (distance) C4'-P energy: -128.421
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -131.538
flat angles P-C4'-P energy: -66.710
tors. eta vs tors. theta energy: -131.169
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: 429
Temperature: 1.200000
Total energy: -1548.717721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.717721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.717721 (E_RNA)
where:
Base-Base interactions energy: -998.554
where: short stacking energy: -444.877
Base-Backbone interact. energy: 0.838
local terms energy: -551.002339
where:
bonds (distance) C4'-P energy: -119.807
bonds (distance) P-C4' energy: -110.739
flat angles C4'-P-C4' energy: -122.485
flat angles P-C4'-P energy: -76.399
tors. eta vs tors. theta energy: -121.572
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: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1254.733036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.733036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.733036 (E_RNA)
where:
Base-Base interactions energy: -804.130
where: short stacking energy: -374.332
Base-Backbone interact. energy: 0.149
local terms energy: -450.751732
where:
bonds (distance) C4'-P energy: -111.220
bonds (distance) P-C4' energy: -124.143
flat angles C4'-P-C4' energy: -104.147
flat angles P-C4'-P energy: -36.490
tors. eta vs tors. theta energy: -74.751
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: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1029.076483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.076483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.076483 (E_RNA)
where:
Base-Base interactions energy: -619.662
where: short stacking energy: -305.095
Base-Backbone interact. energy: 2.293
local terms energy: -411.707517
where:
bonds (distance) C4'-P energy: -97.536
bonds (distance) P-C4' energy: -105.650
flat angles C4'-P-C4' energy: -111.028
flat angles P-C4'-P energy: -57.772
tors. eta vs tors. theta energy: -39.722
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -601.318136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.318136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.318136 (E_RNA)
where:
Base-Base interactions energy: -298.092
where: short stacking energy: -186.435
Base-Backbone interact. energy: 2.605
local terms energy: -305.830485
where:
bonds (distance) C4'-P energy: -90.736
bonds (distance) P-C4' energy: -107.249
flat angles C4'-P-C4' energy: -93.533
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: 11.947
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: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2322.639536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.639536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.639536 (E_RNA)
where:
Base-Base interactions energy: -1629.753
where: short stacking energy: -647.084
Base-Backbone interact. energy: -5.894
local terms energy: -686.992467
where:
bonds (distance) C4'-P energy: -130.475
bonds (distance) P-C4' energy: -131.772
flat angles C4'-P-C4' energy: -157.421
flat angles P-C4'-P energy: -90.721
tors. eta vs tors. theta energy: -176.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2239.203759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.203759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.203759 (E_RNA)
where:
Base-Base interactions energy: -1549.866
where: short stacking energy: -667.294
Base-Backbone interact. energy: -3.160
local terms energy: -686.177614
where:
bonds (distance) C4'-P energy: -118.459
bonds (distance) P-C4' energy: -129.096
flat angles C4'-P-C4' energy: -156.228
flat angles P-C4'-P energy: -100.095
tors. eta vs tors. theta energy: -182.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2166.581510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.581510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.581510 (E_RNA)
where:
Base-Base interactions energy: -1515.720
where: short stacking energy: -630.977
Base-Backbone interact. energy: -4.889
local terms energy: -645.972542
where:
bonds (distance) C4'-P energy: -111.335
bonds (distance) P-C4' energy: -129.136
flat angles C4'-P-C4' energy: -136.396
flat angles P-C4'-P energy: -86.209
tors. eta vs tors. theta energy: -182.896
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: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2018.156206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.156206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.156206 (E_RNA)
where:
Base-Base interactions energy: -1354.432
where: short stacking energy: -596.108
Base-Backbone interact. energy: -0.659
local terms energy: -663.065518
where:
bonds (distance) C4'-P energy: -131.025
bonds (distance) P-C4' energy: -125.473
flat angles C4'-P-C4' energy: -148.073
flat angles P-C4'-P energy: -95.394
tors. eta vs tors. theta energy: -163.101
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: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1880.021755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.021755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.021755 (E_RNA)
where:
Base-Base interactions energy: -1277.734
where: short stacking energy: -557.221
Base-Backbone interact. energy: -0.500
local terms energy: -601.787493
where:
bonds (distance) C4'-P energy: -112.142
bonds (distance) P-C4' energy: -126.109
flat angles C4'-P-C4' energy: -127.182
flat angles P-C4'-P energy: -95.445
tors. eta vs tors. theta energy: -140.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1693.115922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.115922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.115922 (E_RNA)
where:
Base-Base interactions energy: -1152.015
where: short stacking energy: -459.773
Base-Backbone interact. energy: -3.432
local terms energy: -537.669177
where:
bonds (distance) C4'-P energy: -118.020
bonds (distance) P-C4' energy: -118.353
flat angles C4'-P-C4' energy: -124.210
flat angles P-C4'-P energy: -78.827
tors. eta vs tors. theta energy: -98.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1666.764253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.764253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.764253 (E_RNA)
where:
Base-Base interactions energy: -1092.122
where: short stacking energy: -470.409
Base-Backbone interact. energy: -0.863
local terms energy: -573.779558
where:
bonds (distance) C4'-P energy: -124.401
bonds (distance) P-C4' energy: -121.882
flat angles C4'-P-C4' energy: -128.696
flat angles P-C4'-P energy: -72.283
tors. eta vs tors. theta energy: -126.518
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: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1231.205242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.205242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.205242 (E_RNA)
where:
Base-Base interactions energy: -771.629
where: short stacking energy: -364.628
Base-Backbone interact. energy: 2.277
local terms energy: -461.853327
where:
bonds (distance) C4'-P energy: -109.642
bonds (distance) P-C4' energy: -111.435
flat angles C4'-P-C4' energy: -111.489
flat angles P-C4'-P energy: -52.918
tors. eta vs tors. theta energy: -76.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1005.664130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.664130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.664130 (E_RNA)
where:
Base-Base interactions energy: -610.033
where: short stacking energy: -276.110
Base-Backbone interact. energy: 8.619
local terms energy: -404.250215
where:
bonds (distance) C4'-P energy: -93.732
bonds (distance) P-C4' energy: -115.372
flat angles C4'-P-C4' energy: -114.959
flat angles P-C4'-P energy: -59.471
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -639.983255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.983255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.983255 (E_RNA)
where:
Base-Base interactions energy: -272.503
where: short stacking energy: -174.641
Base-Backbone interact. energy: 4.684
local terms energy: -372.163474
where:
bonds (distance) C4'-P energy: -119.631
bonds (distance) P-C4' energy: -120.843
flat angles C4'-P-C4' energy: -70.558
flat angles P-C4'-P energy: -65.498
tors. eta vs tors. theta energy: 4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2359.733220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.733220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.733220 (E_RNA)
where:
Base-Base interactions energy: -1656.456
where: short stacking energy: -650.975
Base-Backbone interact. energy: 0.636
local terms energy: -703.913000
where:
bonds (distance) C4'-P energy: -132.289
bonds (distance) P-C4' energy: -134.679
flat angles C4'-P-C4' energy: -141.496
flat angles P-C4'-P energy: -101.299
tors. eta vs tors. theta energy: -194.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2206.953725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.953725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.953725 (E_RNA)
where:
Base-Base interactions energy: -1518.156
where: short stacking energy: -645.633
Base-Backbone interact. energy: 0.275
local terms energy: -689.072948
where:
bonds (distance) C4'-P energy: -131.861
bonds (distance) P-C4' energy: -120.313
flat angles C4'-P-C4' energy: -151.950
flat angles P-C4'-P energy: -101.947
tors. eta vs tors. theta energy: -183.002
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: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2194.975504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.975504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.975504 (E_RNA)
where:
Base-Base interactions energy: -1499.725
where: short stacking energy: -650.818
Base-Backbone interact. energy: -1.786
local terms energy: -693.464705
where:
bonds (distance) C4'-P energy: -130.098
bonds (distance) P-C4' energy: -131.055
flat angles C4'-P-C4' energy: -135.168
flat angles P-C4'-P energy: -109.521
tors. eta vs tors. theta energy: -187.622
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2047.206148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.206148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.206148 (E_RNA)
where:
Base-Base interactions energy: -1393.852
where: short stacking energy: -634.252
Base-Backbone interact. energy: -0.929
local terms energy: -652.424871
where:
bonds (distance) C4'-P energy: -121.390
bonds (distance) P-C4' energy: -105.950
flat angles C4'-P-C4' energy: -135.599
flat angles P-C4'-P energy: -99.590
tors. eta vs tors. theta energy: -189.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1919.011862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.011862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.011862 (E_RNA)
where:
Base-Base interactions energy: -1295.953
where: short stacking energy: -588.543
Base-Backbone interact. energy: -4.551
local terms energy: -618.508282
where:
bonds (distance) C4'-P energy: -101.143
bonds (distance) P-C4' energy: -120.308
flat angles C4'-P-C4' energy: -147.864
flat angles P-C4'-P energy: -87.258
tors. eta vs tors. theta energy: -161.935
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: 431
Temperature: 1.150000
Total energy: -1761.700064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.700064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.700064 (E_RNA)
where:
Base-Base interactions energy: -1185.625
where: short stacking energy: -539.630
Base-Backbone interact. energy: -0.131
local terms energy: -575.943368
where:
bonds (distance) C4'-P energy: -102.978
bonds (distance) P-C4' energy: -128.634
flat angles C4'-P-C4' energy: -126.469
flat angles P-C4'-P energy: -80.151
tors. eta vs tors. theta energy: -137.712
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: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1607.446020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.446020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.446020 (E_RNA)
where:
Base-Base interactions energy: -1081.263
where: short stacking energy: -474.864
Base-Backbone interact. energy: -1.266
local terms energy: -524.916775
where:
bonds (distance) C4'-P energy: -108.986
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -115.350
flat angles P-C4'-P energy: -58.866
tors. eta vs tors. theta energy: -126.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1234.271436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.271436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.271436 (E_RNA)
where:
Base-Base interactions energy: -771.325
where: short stacking energy: -378.291
Base-Backbone interact. energy: 8.166
local terms energy: -471.112356
where:
bonds (distance) C4'-P energy: -116.209
bonds (distance) P-C4' energy: -101.441
flat angles C4'-P-C4' energy: -103.164
flat angles P-C4'-P energy: -79.824
tors. eta vs tors. theta energy: -70.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1140.457577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.457577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.457577 (E_RNA)
where:
Base-Base interactions energy: -691.630
where: short stacking energy: -366.823
Base-Backbone interact. energy: 0.050
local terms energy: -448.876630
where:
bonds (distance) C4'-P energy: -124.698
bonds (distance) P-C4' energy: -115.998
flat angles C4'-P-C4' energy: -95.701
flat angles P-C4'-P energy: -51.841
tors. eta vs tors. theta energy: -60.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -603.989909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.989909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.989909 (E_RNA)
where:
Base-Base interactions energy: -273.500
where: short stacking energy: -181.723
Base-Backbone interact. energy: 6.851
local terms energy: -337.340775
where:
bonds (distance) C4'-P energy: -115.871
bonds (distance) P-C4' energy: -99.094
flat angles C4'-P-C4' energy: -86.068
flat angles P-C4'-P energy: -56.804
tors. eta vs tors. theta energy: 20.496
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: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2359.749576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.749576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.749576 (E_RNA)
where:
Base-Base interactions energy: -1670.952
where: short stacking energy: -655.215
Base-Backbone interact. energy: -4.662
local terms energy: -684.135176
where:
bonds (distance) C4'-P energy: -113.150
bonds (distance) P-C4' energy: -140.026
flat angles C4'-P-C4' energy: -156.227
flat angles P-C4'-P energy: -88.223
tors. eta vs tors. theta energy: -186.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2220.927532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.927532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.927532 (E_RNA)
where:
Base-Base interactions energy: -1528.409
where: short stacking energy: -641.722
Base-Backbone interact. energy: -1.078
local terms energy: -691.440099
where:
bonds (distance) C4'-P energy: -123.433
bonds (distance) P-C4' energy: -147.347
flat angles C4'-P-C4' energy: -134.702
flat angles P-C4'-P energy: -103.934
tors. eta vs tors. theta energy: -182.023
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2203.904858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.904858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.904858 (E_RNA)
where:
Base-Base interactions energy: -1518.264
where: short stacking energy: -694.288
Base-Backbone interact. energy: -1.678
local terms energy: -683.962584
where:
bonds (distance) C4'-P energy: -118.357
bonds (distance) P-C4' energy: -127.306
flat angles C4'-P-C4' energy: -145.618
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -196.085
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: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1990.622089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.622089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.622089 (E_RNA)
where:
Base-Base interactions energy: -1377.134
where: short stacking energy: -612.493
Base-Backbone interact. energy: -1.158
local terms energy: -612.329452
where:
bonds (distance) C4'-P energy: -118.456
bonds (distance) P-C4' energy: -119.991
flat angles C4'-P-C4' energy: -134.871
flat angles P-C4'-P energy: -86.127
tors. eta vs tors. theta energy: -152.884
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: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1937.380511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.380511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.380511 (E_RNA)
where:
Base-Base interactions energy: -1337.100
where: short stacking energy: -553.523
Base-Backbone interact. energy: 0.123
local terms energy: -600.403208
where:
bonds (distance) C4'-P energy: -101.741
bonds (distance) P-C4' energy: -116.532
flat angles C4'-P-C4' energy: -146.038
flat angles P-C4'-P energy: -83.788
tors. eta vs tors. theta energy: -152.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1692.551807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.551807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.551807 (E_RNA)
where:
Base-Base interactions energy: -1128.260
where: short stacking energy: -488.446
Base-Backbone interact. energy: -3.247
local terms energy: -561.044307
where:
bonds (distance) C4'-P energy: -97.955
bonds (distance) P-C4' energy: -121.996
flat angles C4'-P-C4' energy: -130.915
flat angles P-C4'-P energy: -85.463
tors. eta vs tors. theta energy: -124.716
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: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1636.415707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.415707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.415707 (E_RNA)
where:
Base-Base interactions energy: -1107.671
where: short stacking energy: -455.487
Base-Backbone interact. energy: -1.040
local terms energy: -527.704686
where:
bonds (distance) C4'-P energy: -115.922
bonds (distance) P-C4' energy: -119.580
flat angles C4'-P-C4' energy: -111.817
flat angles P-C4'-P energy: -49.408
tors. eta vs tors. theta energy: -130.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1288.575172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.575172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.575172 (E_RNA)
where:
Base-Base interactions energy: -826.483
where: short stacking energy: -356.389
Base-Backbone interact. energy: -1.114
local terms energy: -460.978588
where:
bonds (distance) C4'-P energy: -109.533
bonds (distance) P-C4' energy: -94.435
flat angles C4'-P-C4' energy: -112.688
flat angles P-C4'-P energy: -73.719
tors. eta vs tors. theta energy: -70.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1094.507499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.507499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.507499 (E_RNA)
where:
Base-Base interactions energy: -715.461
where: short stacking energy: -358.039
Base-Backbone interact. energy: 2.904
local terms energy: -381.950877
where:
bonds (distance) C4'-P energy: -97.940
bonds (distance) P-C4' energy: -91.083
flat angles C4'-P-C4' energy: -80.877
flat angles P-C4'-P energy: -55.471
tors. eta vs tors. theta energy: -56.580
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: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -662.114319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.114319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.114319 (E_RNA)
where:
Base-Base interactions energy: -310.780
where: short stacking energy: -180.121
Base-Backbone interact. energy: 3.264
local terms energy: -354.597872
where:
bonds (distance) C4'-P energy: -123.895
bonds (distance) P-C4' energy: -86.222
flat angles C4'-P-C4' energy: -101.963
flat angles P-C4'-P energy: -57.009
tors. eta vs tors. theta energy: 14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2340.673785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.673785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.673785 (E_RNA)
where:
Base-Base interactions energy: -1655.578
where: short stacking energy: -644.649
Base-Backbone interact. energy: -6.007
local terms energy: -679.089584
where:
bonds (distance) C4'-P energy: -121.945
bonds (distance) P-C4' energy: -138.524
flat angles C4'-P-C4' energy: -143.670
flat angles P-C4'-P energy: -89.177
tors. eta vs tors. theta energy: -185.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2201.567426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.567426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.567426 (E_RNA)
where:
Base-Base interactions energy: -1548.703
where: short stacking energy: -648.312
Base-Backbone interact. energy: -2.570
local terms energy: -650.294509
where:
bonds (distance) C4'-P energy: -128.504
bonds (distance) P-C4' energy: -124.449
flat angles C4'-P-C4' energy: -136.817
flat angles P-C4'-P energy: -97.296
tors. eta vs tors. theta energy: -163.228
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2154.873211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.873211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.873211 (E_RNA)
where:
Base-Base interactions energy: -1477.033
where: short stacking energy: -630.489
Base-Backbone interact. energy: -2.460
local terms energy: -675.380581
where:
bonds (distance) C4'-P energy: -117.213
bonds (distance) P-C4' energy: -140.075
flat angles C4'-P-C4' energy: -140.752
flat angles P-C4'-P energy: -92.157
tors. eta vs tors. theta energy: -185.184
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: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1995.401678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.401678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.401678 (E_RNA)
where:
Base-Base interactions energy: -1405.060
where: short stacking energy: -587.117
Base-Backbone interact. energy: -3.819
local terms energy: -586.522357
where:
bonds (distance) C4'-P energy: -107.176
bonds (distance) P-C4' energy: -123.957
flat angles C4'-P-C4' energy: -127.004
flat angles P-C4'-P energy: -87.922
tors. eta vs tors. theta energy: -140.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1959.505341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.505341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.505341 (E_RNA)
where:
Base-Base interactions energy: -1325.587
where: short stacking energy: -596.305
Base-Backbone interact. energy: -0.357
local terms energy: -633.560730
where:
bonds (distance) C4'-P energy: -113.908
bonds (distance) P-C4' energy: -119.102
flat angles C4'-P-C4' energy: -135.989
flat angles P-C4'-P energy: -83.989
tors. eta vs tors. theta energy: -180.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1702.073923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.073923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.073923 (E_RNA)
where:
Base-Base interactions energy: -1132.331
where: short stacking energy: -475.785
Base-Backbone interact. energy: -1.308
local terms energy: -568.435850
where:
bonds (distance) C4'-P energy: -108.367
bonds (distance) P-C4' energy: -119.953
flat angles C4'-P-C4' energy: -131.334
flat angles P-C4'-P energy: -74.970
tors. eta vs tors. theta energy: -133.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1581.791502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.791502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.791502 (E_RNA)
where:
Base-Base interactions energy: -1078.057
where: short stacking energy: -459.935
Base-Backbone interact. energy: -3.029
local terms energy: -500.705453
where:
bonds (distance) C4'-P energy: -118.734
bonds (distance) P-C4' energy: -95.675
flat angles C4'-P-C4' energy: -114.496
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: -117.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1316.104349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.104349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.104349 (E_RNA)
where:
Base-Base interactions energy: -824.702
where: short stacking energy: -363.792
Base-Backbone interact. energy: -3.544
local terms energy: -487.858392
where:
bonds (distance) C4'-P energy: -109.440
bonds (distance) P-C4' energy: -119.213
flat angles C4'-P-C4' energy: -130.561
flat angles P-C4'-P energy: -70.016
tors. eta vs tors. theta energy: -58.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1020.827588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.827588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.827588 (E_RNA)
where:
Base-Base interactions energy: -615.338
where: short stacking energy: -286.950
Base-Backbone interact. energy: -0.831
local terms energy: -404.658341
where:
bonds (distance) C4'-P energy: -95.469
bonds (distance) P-C4' energy: -97.019
flat angles C4'-P-C4' energy: -94.364
flat angles P-C4'-P energy: -66.257
tors. eta vs tors. theta energy: -51.549
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: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -699.986028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.986028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.986028 (E_RNA)
where:
Base-Base interactions energy: -365.625
where: short stacking energy: -188.970
Base-Backbone interact. energy: 2.546
local terms energy: -336.907201
where:
bonds (distance) C4'-P energy: -108.646
bonds (distance) P-C4' energy: -121.894
flat angles C4'-P-C4' energy: -71.659
flat angles P-C4'-P energy: -53.195
tors. eta vs tors. theta energy: 18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2357.248377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.248377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.248377 (E_RNA)
where:
Base-Base interactions energy: -1678.790
where: short stacking energy: -670.033
Base-Backbone interact. energy: -5.100
local terms energy: -673.358381
where:
bonds (distance) C4'-P energy: -122.196
bonds (distance) P-C4' energy: -128.121
flat angles C4'-P-C4' energy: -146.694
flat angles P-C4'-P energy: -90.812
tors. eta vs tors. theta energy: -185.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2236.468677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.468677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.468677 (E_RNA)
where:
Base-Base interactions energy: -1562.516
where: short stacking energy: -652.538
Base-Backbone interact. energy: -2.519
local terms energy: -671.434000
where:
bonds (distance) C4'-P energy: -131.728
bonds (distance) P-C4' energy: -116.240
flat angles C4'-P-C4' energy: -140.713
flat angles P-C4'-P energy: -98.838
tors. eta vs tors. theta energy: -183.915
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: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2143.099268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.099268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.099268 (E_RNA)
where:
Base-Base interactions energy: -1495.652
where: short stacking energy: -648.160
Base-Backbone interact. energy: 2.082
local terms energy: -649.528870
where:
bonds (distance) C4'-P energy: -129.759
bonds (distance) P-C4' energy: -118.952
flat angles C4'-P-C4' energy: -140.313
flat angles P-C4'-P energy: -81.145
tors. eta vs tors. theta energy: -179.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2015.555764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.555764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.555764 (E_RNA)
where:
Base-Base interactions energy: -1396.471
where: short stacking energy: -582.736
Base-Backbone interact. energy: -0.248
local terms energy: -618.837006
where:
bonds (distance) C4'-P energy: -109.993
bonds (distance) P-C4' energy: -120.187
flat angles C4'-P-C4' energy: -142.452
flat angles P-C4'-P energy: -97.963
tors. eta vs tors. theta energy: -148.242
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1971.406400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.406400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.406400 (E_RNA)
where:
Base-Base interactions energy: -1352.553
where: short stacking energy: -593.344
Base-Backbone interact. energy: 2.277
local terms energy: -621.130478
where:
bonds (distance) C4'-P energy: -110.128
bonds (distance) P-C4' energy: -111.719
flat angles C4'-P-C4' energy: -134.515
flat angles P-C4'-P energy: -87.081
tors. eta vs tors. theta energy: -177.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1680.027112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.027112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.027112 (E_RNA)
where:
Base-Base interactions energy: -1120.394
where: short stacking energy: -493.302
Base-Backbone interact. energy: -2.016
local terms energy: -557.616876
where:
bonds (distance) C4'-P energy: -103.943
bonds (distance) P-C4' energy: -113.176
flat angles C4'-P-C4' energy: -141.867
flat angles P-C4'-P energy: -75.412
tors. eta vs tors. theta energy: -123.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1608.525860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.525860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.525860 (E_RNA)
where:
Base-Base interactions energy: -1049.049
where: short stacking energy: -465.902
Base-Backbone interact. energy: -3.577
local terms energy: -555.899645
where:
bonds (distance) C4'-P energy: -108.663
bonds (distance) P-C4' energy: -113.233
flat angles C4'-P-C4' energy: -141.432
flat angles P-C4'-P energy: -75.416
tors. eta vs tors. theta energy: -117.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1320.707515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.707515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.707515 (E_RNA)
where:
Base-Base interactions energy: -840.946
where: short stacking energy: -393.911
Base-Backbone interact. energy: -0.151
local terms energy: -479.610665
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -120.005
flat angles C4'-P-C4' energy: -130.524
flat angles P-C4'-P energy: -54.441
tors. eta vs tors. theta energy: -66.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -939.387964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.387964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.387964 (E_RNA)
where:
Base-Base interactions energy: -532.497
where: short stacking energy: -256.255
Base-Backbone interact. energy: 0.446
local terms energy: -407.336695
where:
bonds (distance) C4'-P energy: -110.780
bonds (distance) P-C4' energy: -120.744
flat angles C4'-P-C4' energy: -89.191
flat angles P-C4'-P energy: -64.455
tors. eta vs tors. theta energy: -22.166
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: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -675.363995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.363995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.363995 (E_RNA)
where:
Base-Base interactions energy: -297.242
where: short stacking energy: -181.987
Base-Backbone interact. energy: -0.876
local terms energy: -377.246469
where:
bonds (distance) C4'-P energy: -113.253
bonds (distance) P-C4' energy: -125.466
flat angles C4'-P-C4' energy: -108.074
flat angles P-C4'-P energy: -41.446
tors. eta vs tors. theta energy: 10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2340.847851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.847851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.847851 (E_RNA)
where:
Base-Base interactions energy: -1657.036
where: short stacking energy: -652.366
Base-Backbone interact. energy: -4.546
local terms energy: -679.266662
where:
bonds (distance) C4'-P energy: -126.196
bonds (distance) P-C4' energy: -120.082
flat angles C4'-P-C4' energy: -139.942
flat angles P-C4'-P energy: -106.812
tors. eta vs tors. theta energy: -186.235
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2220.148158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.148158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.148158 (E_RNA)
where:
Base-Base interactions energy: -1519.848
where: short stacking energy: -636.897
Base-Backbone interact. energy: -2.026
local terms energy: -698.273734
where:
bonds (distance) C4'-P energy: -136.912
bonds (distance) P-C4' energy: -140.878
flat angles C4'-P-C4' energy: -147.895
flat angles P-C4'-P energy: -90.715
tors. eta vs tors. theta energy: -181.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2136.533235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.533235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.533235 (E_RNA)
where:
Base-Base interactions energy: -1493.802
where: short stacking energy: -658.253
Base-Backbone interact. energy: 1.487
local terms energy: -644.217921
where:
bonds (distance) C4'-P energy: -115.154
bonds (distance) P-C4' energy: -124.934
flat angles C4'-P-C4' energy: -141.963
flat angles P-C4'-P energy: -85.896
tors. eta vs tors. theta energy: -176.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2023.937640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.937640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.937640 (E_RNA)
where:
Base-Base interactions energy: -1354.832
where: short stacking energy: -597.981
Base-Backbone interact. energy: 1.049
local terms energy: -670.154946
where:
bonds (distance) C4'-P energy: -119.460
bonds (distance) P-C4' energy: -134.216
flat angles C4'-P-C4' energy: -148.322
flat angles P-C4'-P energy: -97.924
tors. eta vs tors. theta energy: -170.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1956.236188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.236188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.236188 (E_RNA)
where:
Base-Base interactions energy: -1361.568
where: short stacking energy: -571.512
Base-Backbone interact. energy: -2.348
local terms energy: -592.320760
where:
bonds (distance) C4'-P energy: -114.376
bonds (distance) P-C4' energy: -116.315
flat angles C4'-P-C4' energy: -124.287
flat angles P-C4'-P energy: -85.366
tors. eta vs tors. theta energy: -151.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1673.326531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.326531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.326531 (E_RNA)
where:
Base-Base interactions energy: -1134.184
where: short stacking energy: -488.323
Base-Backbone interact. energy: -3.376
local terms energy: -535.767241
where:
bonds (distance) C4'-P energy: -100.906
bonds (distance) P-C4' energy: -110.161
flat angles C4'-P-C4' energy: -119.168
flat angles P-C4'-P energy: -85.442
tors. eta vs tors. theta energy: -120.090
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: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1602.159570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.159570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.159570 (E_RNA)
where:
Base-Base interactions energy: -1068.903
where: short stacking energy: -472.556
Base-Backbone interact. energy: -0.196
local terms energy: -533.061398
where:
bonds (distance) C4'-P energy: -107.256
bonds (distance) P-C4' energy: -133.282
flat angles C4'-P-C4' energy: -110.536
flat angles P-C4'-P energy: -70.854
tors. eta vs tors. theta energy: -111.134
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: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1285.828368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.828368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.828368 (E_RNA)
where:
Base-Base interactions energy: -810.344
where: short stacking energy: -358.624
Base-Backbone interact. energy: -0.999
local terms energy: -474.485951
where:
bonds (distance) C4'-P energy: -113.377
bonds (distance) P-C4' energy: -126.532
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -60.274
tors. eta vs tors. theta energy: -69.058
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: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -906.550786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.550786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.550786 (E_RNA)
where:
Base-Base interactions energy: -535.073
where: short stacking energy: -247.817
Base-Backbone interact. energy: 0.053
local terms energy: -371.531091
where:
bonds (distance) C4'-P energy: -98.580
bonds (distance) P-C4' energy: -93.060
flat angles C4'-P-C4' energy: -93.149
flat angles P-C4'-P energy: -80.320
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -644.115061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.115061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.115061 (E_RNA)
where:
Base-Base interactions energy: -295.518
where: short stacking energy: -160.056
Base-Backbone interact. energy: -3.524
local terms energy: -345.073302
where:
bonds (distance) C4'-P energy: -104.826
bonds (distance) P-C4' energy: -110.800
flat angles C4'-P-C4' energy: -96.904
flat angles P-C4'-P energy: -64.824
tors. eta vs tors. theta energy: 32.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2355.571359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.571359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.571359 (E_RNA)
where:
Base-Base interactions energy: -1684.166
where: short stacking energy: -661.723
Base-Backbone interact. energy: -7.055
local terms energy: -664.350165
where:
bonds (distance) C4'-P energy: -110.702
bonds (distance) P-C4' energy: -132.623
flat angles C4'-P-C4' energy: -149.783
flat angles P-C4'-P energy: -88.488
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2212.618625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.618625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.618625 (E_RNA)
where:
Base-Base interactions energy: -1539.881
where: short stacking energy: -628.575
Base-Backbone interact. energy: -1.582
local terms energy: -671.156148
where:
bonds (distance) C4'-P energy: -116.289
bonds (distance) P-C4' energy: -135.133
flat angles C4'-P-C4' energy: -142.368
flat angles P-C4'-P energy: -100.943
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: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2151.923844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.923844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.923844 (E_RNA)
where:
Base-Base interactions energy: -1484.844
where: short stacking energy: -642.877
Base-Backbone interact. energy: -1.014
local terms energy: -666.065446
where:
bonds (distance) C4'-P energy: -122.420
bonds (distance) P-C4' energy: -120.730
flat angles C4'-P-C4' energy: -142.115
flat angles P-C4'-P energy: -87.137
tors. eta vs tors. theta energy: -193.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2039.945275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.945275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.945275 (E_RNA)
where:
Base-Base interactions energy: -1387.824
where: short stacking energy: -610.032
Base-Backbone interact. energy: -1.822
local terms energy: -650.299733
where:
bonds (distance) C4'-P energy: -111.982
bonds (distance) P-C4' energy: -123.907
flat angles C4'-P-C4' energy: -140.282
flat angles P-C4'-P energy: -100.300
tors. eta vs tors. theta energy: -173.828
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: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1949.167501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.167501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.167501 (E_RNA)
where:
Base-Base interactions energy: -1330.536
where: short stacking energy: -547.239
Base-Backbone interact. energy: 3.136
local terms energy: -621.767250
where:
bonds (distance) C4'-P energy: -114.484
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -137.438
flat angles P-C4'-P energy: -102.536
tors. eta vs tors. theta energy: -158.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1682.089108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.089108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.089108 (E_RNA)
where:
Base-Base interactions energy: -1138.124
where: short stacking energy: -481.742
Base-Backbone interact. energy: -3.052
local terms energy: -540.912397
where:
bonds (distance) C4'-P energy: -112.811
bonds (distance) P-C4' energy: -121.460
flat angles C4'-P-C4' energy: -111.915
flat angles P-C4'-P energy: -74.300
tors. eta vs tors. theta energy: -120.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1645.869216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.869216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.869216 (E_RNA)
where:
Base-Base interactions energy: -1117.182
where: short stacking energy: -444.760
Base-Backbone interact. energy: -1.261
local terms energy: -527.426229
where:
bonds (distance) C4'-P energy: -101.681
bonds (distance) P-C4' energy: -118.221
flat angles C4'-P-C4' energy: -114.937
flat angles P-C4'-P energy: -85.661
tors. eta vs tors. theta energy: -106.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1204.123187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.123187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.123187 (E_RNA)
where:
Base-Base interactions energy: -763.582
where: short stacking energy: -329.322
Base-Backbone interact. energy: 0.507
local terms energy: -441.048290
where:
bonds (distance) C4'-P energy: -99.903
bonds (distance) P-C4' energy: -116.970
flat angles C4'-P-C4' energy: -110.352
flat angles P-C4'-P energy: -57.127
tors. eta vs tors. theta energy: -56.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -895.405034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.405034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.405034 (E_RNA)
where:
Base-Base interactions energy: -495.443
where: short stacking energy: -255.851
Base-Backbone interact. energy: 0.787
local terms energy: -400.748757
where:
bonds (distance) C4'-P energy: -95.894
bonds (distance) P-C4' energy: -103.090
flat angles C4'-P-C4' energy: -113.674
flat angles P-C4'-P energy: -65.670
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -720.425394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.425394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.425394 (E_RNA)
where:
Base-Base interactions energy: -408.347
where: short stacking energy: -255.302
Base-Backbone interact. energy: 2.646
local terms energy: -314.724508
where:
bonds (distance) C4'-P energy: -69.346
bonds (distance) P-C4' energy: -108.266
flat angles C4'-P-C4' energy: -87.975
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2342.999879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.999879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.999879 (E_RNA)
where:
Base-Base interactions energy: -1658.904
where: short stacking energy: -657.172
Base-Backbone interact. energy: -2.787
local terms energy: -681.308495
where:
bonds (distance) C4'-P energy: -132.938
bonds (distance) P-C4' energy: -127.230
flat angles C4'-P-C4' energy: -143.426
flat angles P-C4'-P energy: -98.033
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: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2227.772476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.772476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.772476 (E_RNA)
where:
Base-Base interactions energy: -1562.549
where: short stacking energy: -646.838
Base-Backbone interact. energy: -1.473
local terms energy: -663.750307
where:
bonds (distance) C4'-P energy: -105.050
bonds (distance) P-C4' energy: -129.340
flat angles C4'-P-C4' energy: -138.740
flat angles P-C4'-P energy: -109.356
tors. eta vs tors. theta energy: -181.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2151.588274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.588274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.588274 (E_RNA)
where:
Base-Base interactions energy: -1479.997
where: short stacking energy: -668.172
Base-Backbone interact. energy: 2.750
local terms energy: -674.341721
where:
bonds (distance) C4'-P energy: -131.720
bonds (distance) P-C4' energy: -121.828
flat angles C4'-P-C4' energy: -133.776
flat angles P-C4'-P energy: -96.370
tors. eta vs tors. theta energy: -190.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2003.764525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.764525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.764525 (E_RNA)
where:
Base-Base interactions energy: -1366.389
where: short stacking energy: -591.222
Base-Backbone interact. energy: -0.750
local terms energy: -636.626159
where:
bonds (distance) C4'-P energy: -104.334
bonds (distance) P-C4' energy: -135.516
flat angles C4'-P-C4' energy: -134.927
flat angles P-C4'-P energy: -94.570
tors. eta vs tors. theta energy: -167.280
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1943.388666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.388666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.388666 (E_RNA)
where:
Base-Base interactions energy: -1340.627
where: short stacking energy: -576.497
Base-Backbone interact. energy: -3.309
local terms energy: -599.452868
where:
bonds (distance) C4'-P energy: -105.857
bonds (distance) P-C4' energy: -119.564
flat angles C4'-P-C4' energy: -135.351
flat angles P-C4'-P energy: -90.457
tors. eta vs tors. theta energy: -148.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1732.487749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.487749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.487749 (E_RNA)
where:
Base-Base interactions energy: -1159.143
where: short stacking energy: -509.833
Base-Backbone interact. energy: -0.394
local terms energy: -572.950946
where:
bonds (distance) C4'-P energy: -111.514
bonds (distance) P-C4' energy: -119.561
flat angles C4'-P-C4' energy: -125.783
flat angles P-C4'-P energy: -84.499
tors. eta vs tors. theta energy: -131.593
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: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1652.085379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.085379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.085379 (E_RNA)
where:
Base-Base interactions energy: -1098.395
where: short stacking energy: -463.533
Base-Backbone interact. energy: -1.371
local terms energy: -552.319651
where:
bonds (distance) C4'-P energy: -126.250
bonds (distance) P-C4' energy: -107.978
flat angles C4'-P-C4' energy: -119.910
flat angles P-C4'-P energy: -71.451
tors. eta vs tors. theta energy: -126.730
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: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1214.455564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.455564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.455564 (E_RNA)
where:
Base-Base interactions energy: -766.262
where: short stacking energy: -323.666
Base-Backbone interact. energy: -0.236
local terms energy: -447.957354
where:
bonds (distance) C4'-P energy: -90.021
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -113.175
flat angles P-C4'-P energy: -66.977
tors. eta vs tors. theta energy: -50.856
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: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -930.160517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.160517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.160517 (E_RNA)
where:
Base-Base interactions energy: -534.753
where: short stacking energy: -247.596
Base-Backbone interact. energy: 10.995
local terms energy: -406.402651
where:
bonds (distance) C4'-P energy: -107.150
bonds (distance) P-C4' energy: -102.349
flat angles C4'-P-C4' energy: -119.196
flat angles P-C4'-P energy: -56.339
tors. eta vs tors. theta energy: -21.369
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: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -687.979242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.979242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.979242 (E_RNA)
where:
Base-Base interactions energy: -335.514
where: short stacking energy: -196.112
Base-Backbone interact. energy: -1.774
local terms energy: -350.691165
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -108.824
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -54.851
tors. eta vs tors. theta energy: 4.274
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: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2319.083175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.083175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.083175 (E_RNA)
where:
Base-Base interactions energy: -1638.931
where: short stacking energy: -647.690
Base-Backbone interact. energy: -3.218
local terms energy: -676.934495
where:
bonds (distance) C4'-P energy: -129.178
bonds (distance) P-C4' energy: -125.869
flat angles C4'-P-C4' energy: -147.362
flat angles P-C4'-P energy: -103.259
tors. eta vs tors. theta energy: -171.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2196.526204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.526204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.526204 (E_RNA)
where:
Base-Base interactions energy: -1517.093
where: short stacking energy: -637.661
Base-Backbone interact. energy: -2.918
local terms energy: -676.515534
where:
bonds (distance) C4'-P energy: -114.379
bonds (distance) P-C4' energy: -139.129
flat angles C4'-P-C4' energy: -152.572
flat angles P-C4'-P energy: -93.695
tors. eta vs tors. theta energy: -176.741
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: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2195.336093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.336093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.336093 (E_RNA)
where:
Base-Base interactions energy: -1517.100
where: short stacking energy: -650.630
Base-Backbone interact. energy: -0.165
local terms energy: -678.070622
where:
bonds (distance) C4'-P energy: -132.667
bonds (distance) P-C4' energy: -122.464
flat angles C4'-P-C4' energy: -139.752
flat angles P-C4'-P energy: -92.880
tors. eta vs tors. theta energy: -190.306
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: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2038.626021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.626021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.626021 (E_RNA)
where:
Base-Base interactions energy: -1375.219
where: short stacking energy: -583.519
Base-Backbone interact. energy: -0.998
local terms energy: -662.409087
where:
bonds (distance) C4'-P energy: -123.563
bonds (distance) P-C4' energy: -138.146
flat angles C4'-P-C4' energy: -133.975
flat angles P-C4'-P energy: -97.107
tors. eta vs tors. theta energy: -169.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1883.969134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.969134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.969134 (E_RNA)
where:
Base-Base interactions energy: -1289.079
where: short stacking energy: -537.992
Base-Backbone interact. energy: -1.509
local terms energy: -593.381092
where:
bonds (distance) C4'-P energy: -113.005
bonds (distance) P-C4' energy: -130.072
flat angles C4'-P-C4' energy: -119.519
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -147.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1680.834435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.834435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.834435 (E_RNA)
where:
Base-Base interactions energy: -1142.186
where: short stacking energy: -490.133
Base-Backbone interact. energy: 3.690
local terms energy: -542.339032
where:
bonds (distance) C4'-P energy: -115.366
bonds (distance) P-C4' energy: -112.852
flat angles C4'-P-C4' energy: -114.778
flat angles P-C4'-P energy: -78.061
tors. eta vs tors. theta energy: -121.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1624.394618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.394618 (E_RNA)
where:
Base-Base interactions energy: -1129.267
where: short stacking energy: -463.300
Base-Backbone interact. energy: 6.386
local terms energy: -501.513466
where:
bonds (distance) C4'-P energy: -99.731
bonds (distance) P-C4' energy: -110.211
flat angles C4'-P-C4' energy: -110.636
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -104.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1230.895309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.895309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.895309 (E_RNA)
where:
Base-Base interactions energy: -772.919
where: short stacking energy: -372.432
Base-Backbone interact. energy: -4.509
local terms energy: -453.467625
where:
bonds (distance) C4'-P energy: -93.505
bonds (distance) P-C4' energy: -120.328
flat angles C4'-P-C4' energy: -112.060
flat angles P-C4'-P energy: -66.086
tors. eta vs tors. theta energy: -61.489
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: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -833.815925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.815925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.815925 (E_RNA)
where:
Base-Base interactions energy: -423.862
where: short stacking energy: -247.858
Base-Backbone interact. energy: -1.743
local terms energy: -408.210921
where:
bonds (distance) C4'-P energy: -116.268
bonds (distance) P-C4' energy: -125.009
flat angles C4'-P-C4' energy: -103.806
flat angles P-C4'-P energy: -55.335
tors. eta vs tors. theta energy: -7.793
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: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -714.150375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.150375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.150375 (E_RNA)
where:
Base-Base interactions energy: -331.134
where: short stacking energy: -193.608
Base-Backbone interact. energy: 8.395
local terms energy: -391.411347
where:
bonds (distance) C4'-P energy: -106.889
bonds (distance) P-C4' energy: -133.888
flat angles C4'-P-C4' energy: -92.719
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2319.348815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.348815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.348815 (E_RNA)
where:
Base-Base interactions energy: -1628.938
where: short stacking energy: -619.981
Base-Backbone interact. energy: -2.529
local terms energy: -687.881812
where:
bonds (distance) C4'-P energy: -117.456
bonds (distance) P-C4' energy: -146.100
flat angles C4'-P-C4' energy: -145.136
flat angles P-C4'-P energy: -99.700
tors. eta vs tors. theta energy: -179.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2238.686389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.686389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.686389 (E_RNA)
where:
Base-Base interactions energy: -1543.034
where: short stacking energy: -666.628
Base-Backbone interact. energy: -1.315
local terms energy: -694.337432
where:
bonds (distance) C4'-P energy: -119.150
bonds (distance) P-C4' energy: -134.744
flat angles C4'-P-C4' energy: -147.143
flat angles P-C4'-P energy: -99.266
tors. eta vs tors. theta energy: -194.035
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: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2163.849562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.849562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.849562 (E_RNA)
where:
Base-Base interactions energy: -1509.321
where: short stacking energy: -615.107
Base-Backbone interact. energy: -1.843
local terms energy: -652.685910
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -142.433
flat angles P-C4'-P energy: -92.806
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: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2002.149186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.149186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.149186 (E_RNA)
where:
Base-Base interactions energy: -1353.618
where: short stacking energy: -571.918
Base-Backbone interact. energy: -3.165
local terms energy: -645.366405
where:
bonds (distance) C4'-P energy: -122.889
bonds (distance) P-C4' energy: -128.895
flat angles C4'-P-C4' energy: -134.437
flat angles P-C4'-P energy: -95.042
tors. eta vs tors. theta energy: -164.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1931.803178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.803178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.803178 (E_RNA)
where:
Base-Base interactions energy: -1330.754
where: short stacking energy: -570.909
Base-Backbone interact. energy: -2.832
local terms energy: -598.216778
where:
bonds (distance) C4'-P energy: -113.485
bonds (distance) P-C4' energy: -127.640
flat angles C4'-P-C4' energy: -134.492
flat angles P-C4'-P energy: -75.742
tors. eta vs tors. theta energy: -146.858
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: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1730.144418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.144418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.144418 (E_RNA)
where:
Base-Base interactions energy: -1154.271
where: short stacking energy: -498.041
Base-Backbone interact. energy: -2.902
local terms energy: -572.971331
where:
bonds (distance) C4'-P energy: -120.456
bonds (distance) P-C4' energy: -125.796
flat angles C4'-P-C4' energy: -130.355
flat angles P-C4'-P energy: -74.369
tors. eta vs tors. theta energy: -121.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1648.218050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.218050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.218050 (E_RNA)
where:
Base-Base interactions energy: -1091.819
where: short stacking energy: -442.445
Base-Backbone interact. energy: -3.832
local terms energy: -552.567250
where:
bonds (distance) C4'-P energy: -120.822
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -135.962
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -106.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1230.190475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.190475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.190475 (E_RNA)
where:
Base-Base interactions energy: -750.230
where: short stacking energy: -341.909
Base-Backbone interact. energy: 0.050
local terms energy: -480.010693
where:
bonds (distance) C4'-P energy: -114.068
bonds (distance) P-C4' energy: -102.786
flat angles C4'-P-C4' energy: -120.645
flat angles P-C4'-P energy: -79.748
tors. eta vs tors. theta energy: -62.763
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: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -864.169534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.169534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.169534 (E_RNA)
where:
Base-Base interactions energy: -485.832
where: short stacking energy: -254.490
Base-Backbone interact. energy: 2.010
local terms energy: -380.347314
where:
bonds (distance) C4'-P energy: -101.479
bonds (distance) P-C4' energy: -104.273
flat angles C4'-P-C4' energy: -92.558
flat angles P-C4'-P energy: -59.474
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -677.636359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.636359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.636359 (E_RNA)
where:
Base-Base interactions energy: -320.447
where: short stacking energy: -189.327
Base-Backbone interact. energy: -1.741
local terms energy: -355.448752
where:
bonds (distance) C4'-P energy: -86.898
bonds (distance) P-C4' energy: -119.310
flat angles C4'-P-C4' energy: -99.071
flat angles P-C4'-P energy: -58.064
tors. eta vs tors. theta energy: 7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2336.847643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.847643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.847643 (E_RNA)
where:
Base-Base interactions energy: -1634.480
where: short stacking energy: -668.918
Base-Backbone interact. energy: -0.811
local terms energy: -701.555775
where:
bonds (distance) C4'-P energy: -121.156
bonds (distance) P-C4' energy: -137.933
flat angles C4'-P-C4' energy: -141.067
flat angles P-C4'-P energy: -108.802
tors. eta vs tors. theta energy: -192.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2251.023356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.023356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.023356 (E_RNA)
where:
Base-Base interactions energy: -1561.206
where: short stacking energy: -695.061
Base-Backbone interact. energy: -3.396
local terms energy: -686.421783
where:
bonds (distance) C4'-P energy: -123.165
bonds (distance) P-C4' energy: -132.969
flat angles C4'-P-C4' energy: -145.021
flat angles P-C4'-P energy: -91.784
tors. eta vs tors. theta energy: -193.484
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: 440
Temperature: 1.000000
Total energy: -2152.824375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.824375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.824375 (E_RNA)
where:
Base-Base interactions energy: -1518.512
where: short stacking energy: -668.182
Base-Backbone interact. energy: 1.446
local terms energy: -635.758632
where:
bonds (distance) C4'-P energy: -112.051
bonds (distance) P-C4' energy: -123.240
flat angles C4'-P-C4' energy: -134.481
flat angles P-C4'-P energy: -94.566
tors. eta vs tors. theta energy: -171.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2009.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.111757 (E_RNA)
where:
Base-Base interactions energy: -1378.345
where: short stacking energy: -607.984
Base-Backbone interact. energy: -2.768
local terms energy: -627.998686
where:
bonds (distance) C4'-P energy: -114.448
bonds (distance) P-C4' energy: -125.356
flat angles C4'-P-C4' energy: -128.499
flat angles P-C4'-P energy: -88.769
tors. eta vs tors. theta energy: -170.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1937.142717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.142717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.142717 (E_RNA)
where:
Base-Base interactions energy: -1318.755
where: short stacking energy: -550.488
Base-Backbone interact. energy: 0.085
local terms energy: -618.472843
where:
bonds (distance) C4'-P energy: -135.424
bonds (distance) P-C4' energy: -124.713
flat angles C4'-P-C4' energy: -128.744
flat angles P-C4'-P energy: -88.060
tors. eta vs tors. theta energy: -141.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1683.002621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.002621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.002621 (E_RNA)
where:
Base-Base interactions energy: -1133.395
where: short stacking energy: -488.949
Base-Backbone interact. energy: 1.990
local terms energy: -551.597569
where:
bonds (distance) C4'-P energy: -112.256
bonds (distance) P-C4' energy: -112.978
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -82.897
tors. eta vs tors. theta energy: -126.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1625.669621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.669621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.669621 (E_RNA)
where:
Base-Base interactions energy: -1096.642
where: short stacking energy: -448.943
Base-Backbone interact. energy: -3.040
local terms energy: -525.987708
where:
bonds (distance) C4'-P energy: -94.314
bonds (distance) P-C4' energy: -114.996
flat angles C4'-P-C4' energy: -128.732
flat angles P-C4'-P energy: -85.203
tors. eta vs tors. theta energy: -102.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1255.441550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.441550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.441550 (E_RNA)
where:
Base-Base interactions energy: -826.827
where: short stacking energy: -369.268
Base-Backbone interact. energy: 3.212
local terms energy: -431.826138
where:
bonds (distance) C4'-P energy: -107.313
bonds (distance) P-C4' energy: -106.208
flat angles C4'-P-C4' energy: -103.600
flat angles P-C4'-P energy: -53.704
tors. eta vs tors. theta energy: -61.001
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -865.542788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.542788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.542788 (E_RNA)
where:
Base-Base interactions energy: -453.481
where: short stacking energy: -247.959
Base-Backbone interact. energy: 5.761
local terms energy: -417.822125
where:
bonds (distance) C4'-P energy: -107.816
bonds (distance) P-C4' energy: -117.034
flat angles C4'-P-C4' energy: -102.884
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -703.816004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.816004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.816004 (E_RNA)
where:
Base-Base interactions energy: -344.004
where: short stacking energy: -205.572
Base-Backbone interact. energy: 1.756
local terms energy: -361.568505
where:
bonds (distance) C4'-P energy: -102.662
bonds (distance) P-C4' energy: -88.650
flat angles C4'-P-C4' energy: -98.115
flat angles P-C4'-P energy: -63.029
tors. eta vs tors. theta energy: -9.113
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)