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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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-ee4e0669/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-ee4e0669/inputs/seq.fa: 1
curr_seq: _GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAAGGAGAAAGCGUUCGUUAUCCGGCCAACUACUUCGAAAAACCUAGUAACACCGUGGAAGUUGCAGAGUGUUUCGCUCAGCACUACCCCAGUGUAGAUCAGGUCGAUGAGUCACCGCAUUCCCCACGGGCGACCGUGGCGGUGGCUGCGUUGGCGGCCUGCCCAUGGGGAAACCCAUGGGACGCUCUAAUACAGACAUGGUGCGAAGAGUCUAUUGAGCUAGUUGGUAG
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 230 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: 1155
n_atoms_counter: 1155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 230.000000 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: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -934.106214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.106214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.106214 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.958
Base-Backbone interact. energy: -0.000
local terms energy: -895.148268
where:
bonds (distance) C4'-P energy: -223.463
bonds (distance) P-C4' energy: -206.665
flat angles C4'-P-C4' energy: -168.872
flat angles P-C4'-P energy: -193.171
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1134.615613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.615613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.615613 (E_RNA)
where:
Base-Base interactions energy: -479.494
where: short stacking energy: -476.960
Base-Backbone interact. energy: 0.057
local terms energy: -655.179077
where:
bonds (distance) C4'-P energy: -142.325
bonds (distance) P-C4' energy: -153.969
flat angles C4'-P-C4' energy: -152.430
flat angles P-C4'-P energy: -97.528
tors. eta vs tors. theta energy: -108.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1072.383877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.383877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.383877 (E_RNA)
where:
Base-Base interactions energy: -460.945
where: short stacking energy: -456.228
Base-Backbone interact. energy: -0.109
local terms energy: -611.330094
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -141.072
flat angles C4'-P-C4' energy: -144.775
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -111.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1041.296397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.296397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.296397 (E_RNA)
where:
Base-Base interactions energy: -439.119
where: short stacking energy: -438.124
Base-Backbone interact. energy: 0.182
local terms energy: -602.359452
where:
bonds (distance) C4'-P energy: -138.381
bonds (distance) P-C4' energy: -135.767
flat angles C4'-P-C4' energy: -131.335
flat angles P-C4'-P energy: -94.726
tors. eta vs tors. theta energy: -102.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -937.159899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.159899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.159899 (E_RNA)
where:
Base-Base interactions energy: -93.548
where: short stacking energy: -93.548
Base-Backbone interact. energy: -0.000
local terms energy: -843.611805
where:
bonds (distance) C4'-P energy: -194.699
bonds (distance) P-C4' energy: -183.178
flat angles C4'-P-C4' energy: -167.369
flat angles P-C4'-P energy: -184.137
tors. eta vs tors. theta energy: -114.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -934.996642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.996642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.996642 (E_RNA)
where:
Base-Base interactions energy: -82.964
where: short stacking energy: -82.964
Base-Backbone interact. energy: -0.000
local terms energy: -852.032614
where:
bonds (distance) C4'-P energy: -202.641
bonds (distance) P-C4' energy: -184.146
flat angles C4'-P-C4' energy: -167.767
flat angles P-C4'-P energy: -186.243
tors. eta vs tors. theta energy: -111.236
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -933.308956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.308956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.308956 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -38.501
Base-Backbone interact. energy: -0.000
local terms energy: -894.808112
where:
bonds (distance) C4'-P energy: -223.347
bonds (distance) P-C4' energy: -206.658
flat angles C4'-P-C4' energy: -168.575
flat angles P-C4'-P energy: -193.097
tors. eta vs tors. theta energy: -103.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -936.245818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.245818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.245818 (E_RNA)
where:
Base-Base interactions energy: -48.658
where: short stacking energy: -48.658
Base-Backbone interact. energy: -0.000
local terms energy: -887.587896
where:
bonds (distance) C4'-P energy: -220.185
bonds (distance) P-C4' energy: -202.048
flat angles C4'-P-C4' energy: -168.999
flat angles P-C4'-P energy: -191.638
tors. eta vs tors. theta energy: -104.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -936.869253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.869253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.869253 (E_RNA)
where:
Base-Base interactions energy: -49.240
where: short stacking energy: -49.240
Base-Backbone interact. energy: -0.000
local terms energy: -887.629486
where:
bonds (distance) C4'-P energy: -220.185
bonds (distance) P-C4' energy: -202.048
flat angles C4'-P-C4' energy: -169.104
flat angles P-C4'-P energy: -191.503
tors. eta vs tors. theta energy: -104.790
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -938.690517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.690517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.690517 (E_RNA)
where:
Base-Base interactions energy: -49.385
where: short stacking energy: -49.385
Base-Backbone interact. energy: -0.000
local terms energy: -889.305569
where:
bonds (distance) C4'-P energy: -220.292
bonds (distance) P-C4' energy: -203.812
flat angles C4'-P-C4' energy: -169.102
flat angles P-C4'-P energy: -191.652
tors. eta vs tors. theta energy: -104.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -937.816279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.816279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.816279 (E_RNA)
where:
Base-Base interactions energy: -53.167
where: short stacking energy: -53.167
Base-Backbone interact. energy: -0.000
local terms energy: -884.649378
where:
bonds (distance) C4'-P energy: -216.549
bonds (distance) P-C4' energy: -203.287
flat angles C4'-P-C4' energy: -170.132
flat angles P-C4'-P energy: -190.327
tors. eta vs tors. theta energy: -104.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1204.617995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.617995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.617995 (E_RNA)
where:
Base-Base interactions energy: -514.198
where: short stacking energy: -510.142
Base-Backbone interact. energy: -0.293
local terms energy: -690.126386
where:
bonds (distance) C4'-P energy: -139.100
bonds (distance) P-C4' energy: -152.238
flat angles C4'-P-C4' energy: -150.921
flat angles P-C4'-P energy: -102.286
tors. eta vs tors. theta energy: -145.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1112.722840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.722840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.722840 (E_RNA)
where:
Base-Base interactions energy: -467.571
where: short stacking energy: -460.942
Base-Backbone interact. energy: -0.933
local terms energy: -644.218177
where:
bonds (distance) C4'-P energy: -144.527
bonds (distance) P-C4' energy: -145.203
flat angles C4'-P-C4' energy: -146.932
flat angles P-C4'-P energy: -91.739
tors. eta vs tors. theta energy: -115.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1052.705218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.705218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.705218 (E_RNA)
where:
Base-Base interactions energy: -428.234
where: short stacking energy: -403.767
Base-Backbone interact. energy: -1.782
local terms energy: -622.688910
where:
bonds (distance) C4'-P energy: -152.167
bonds (distance) P-C4' energy: -139.748
flat angles C4'-P-C4' energy: -143.200
flat angles P-C4'-P energy: -96.648
tors. eta vs tors. theta energy: -90.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -962.990842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.990842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.990842 (E_RNA)
where:
Base-Base interactions energy: -409.883
where: short stacking energy: -402.434
Base-Backbone interact. energy: -1.043
local terms energy: -552.064356
where:
bonds (distance) C4'-P energy: -138.129
bonds (distance) P-C4' energy: -120.278
flat angles C4'-P-C4' energy: -119.166
flat angles P-C4'-P energy: -87.777
tors. eta vs tors. theta energy: -86.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -865.341561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.341561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.341561 (E_RNA)
where:
Base-Base interactions energy: -359.324
where: short stacking energy: -326.200
Base-Backbone interact. energy: -0.249
local terms energy: -505.768917
where:
bonds (distance) C4'-P energy: -123.167
bonds (distance) P-C4' energy: -138.577
flat angles C4'-P-C4' energy: -119.786
flat angles P-C4'-P energy: -67.037
tors. eta vs tors. theta energy: -57.202
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -782.700379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.700379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.700379 (E_RNA)
where:
Base-Base interactions energy: -289.106
where: short stacking energy: -266.302
Base-Backbone interact. energy: -1.494
local terms energy: -492.099972
where:
bonds (distance) C4'-P energy: -128.893
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -119.621
flat angles P-C4'-P energy: -81.130
tors. eta vs tors. theta energy: -32.810
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -702.890093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.890093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.890093 (E_RNA)
where:
Base-Base interactions energy: -237.461
where: short stacking energy: -226.192
Base-Backbone interact. energy: 0.747
local terms energy: -466.176057
where:
bonds (distance) C4'-P energy: -120.952
bonds (distance) P-C4' energy: -132.262
flat angles C4'-P-C4' energy: -122.998
flat angles P-C4'-P energy: -57.845
tors. eta vs tors. theta energy: -32.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -674.779301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.779301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.779301 (E_RNA)
where:
Base-Base interactions energy: -267.813
where: short stacking energy: -234.194
Base-Backbone interact. energy: -1.177
local terms energy: -405.789110
where:
bonds (distance) C4'-P energy: -114.447
bonds (distance) P-C4' energy: -134.615
flat angles C4'-P-C4' energy: -94.431
flat angles P-C4'-P energy: -62.916
tors. eta vs tors. theta energy: 0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -618.905355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.905355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.905355 (E_RNA)
where:
Base-Base interactions energy: -257.948
where: short stacking energy: -215.331
Base-Backbone interact. energy: 1.969
local terms energy: -362.926472
where:
bonds (distance) C4'-P energy: -110.086
bonds (distance) P-C4' energy: -110.508
flat angles C4'-P-C4' energy: -91.176
flat angles P-C4'-P energy: -55.703
tors. eta vs tors. theta energy: 4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -574.752169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.752169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.752169 (E_RNA)
where:
Base-Base interactions energy: -192.882
where: short stacking energy: -164.027
Base-Backbone interact. energy: 3.767
local terms energy: -385.636836
where:
bonds (distance) C4'-P energy: -114.398
bonds (distance) P-C4' energy: -121.305
flat angles C4'-P-C4' energy: -88.694
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: 2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1185.084965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.084965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.084965 (E_RNA)
where:
Base-Base interactions energy: -539.205
where: short stacking energy: -480.134
Base-Backbone interact. energy: -0.578
local terms energy: -645.301727
where:
bonds (distance) C4'-P energy: -143.001
bonds (distance) P-C4' energy: -152.768
flat angles C4'-P-C4' energy: -149.563
flat angles P-C4'-P energy: -90.795
tors. eta vs tors. theta energy: -109.175
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1148.888671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.888671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.888671 (E_RNA)
where:
Base-Base interactions energy: -488.458
where: short stacking energy: -482.476
Base-Backbone interact. energy: -0.434
local terms energy: -659.996556
where:
bonds (distance) C4'-P energy: -138.690
bonds (distance) P-C4' energy: -163.774
flat angles C4'-P-C4' energy: -140.662
flat angles P-C4'-P energy: -104.497
tors. eta vs tors. theta energy: -112.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1042.547029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.547029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.547029 (E_RNA)
where:
Base-Base interactions energy: -457.172
where: short stacking energy: -430.600
Base-Backbone interact. energy: -1.006
local terms energy: -584.369084
where:
bonds (distance) C4'-P energy: -125.778
bonds (distance) P-C4' energy: -139.662
flat angles C4'-P-C4' energy: -149.616
flat angles P-C4'-P energy: -81.871
tors. eta vs tors. theta energy: -87.442
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -962.837025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.837025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.837025 (E_RNA)
where:
Base-Base interactions energy: -409.459
where: short stacking energy: -372.130
Base-Backbone interact. energy: 0.196
local terms energy: -553.573809
where:
bonds (distance) C4'-P energy: -129.594
bonds (distance) P-C4' energy: -136.907
flat angles C4'-P-C4' energy: -137.437
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: -69.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -899.198872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.198872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.198872 (E_RNA)
where:
Base-Base interactions energy: -376.509
where: short stacking energy: -337.279
Base-Backbone interact. energy: -1.083
local terms energy: -521.606524
where:
bonds (distance) C4'-P energy: -132.585
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -116.468
flat angles P-C4'-P energy: -69.363
tors. eta vs tors. theta energy: -68.333
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: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -865.518663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.518663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.518663 (E_RNA)
where:
Base-Base interactions energy: -360.642
where: short stacking energy: -287.043
Base-Backbone interact. energy: 0.288
local terms energy: -505.164584
where:
bonds (distance) C4'-P energy: -140.830
bonds (distance) P-C4' energy: -140.473
flat angles C4'-P-C4' energy: -113.901
flat angles P-C4'-P energy: -78.004
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -721.296717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.296717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.296717 (E_RNA)
where:
Base-Base interactions energy: -289.487
where: short stacking energy: -248.027
Base-Backbone interact. energy: 5.279
local terms energy: -437.088216
where:
bonds (distance) C4'-P energy: -138.954
bonds (distance) P-C4' energy: -107.887
flat angles C4'-P-C4' energy: -116.815
flat angles P-C4'-P energy: -64.407
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -671.723715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.723715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.723715 (E_RNA)
where:
Base-Base interactions energy: -251.024
where: short stacking energy: -211.083
Base-Backbone interact. energy: -1.387
local terms energy: -419.312696
where:
bonds (distance) C4'-P energy: -113.132
bonds (distance) P-C4' energy: -112.974
flat angles C4'-P-C4' energy: -135.890
flat angles P-C4'-P energy: -55.804
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -595.486917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.486917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.486917 (E_RNA)
where:
Base-Base interactions energy: -205.274
where: short stacking energy: -150.524
Base-Backbone interact. energy: 4.064
local terms energy: -394.276176
where:
bonds (distance) C4'-P energy: -114.329
bonds (distance) P-C4' energy: -126.179
flat angles C4'-P-C4' energy: -90.079
flat angles P-C4'-P energy: -69.642
tors. eta vs tors. theta energy: 5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -623.365037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.365037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.365037 (E_RNA)
where:
Base-Base interactions energy: -273.452
where: short stacking energy: -178.847
Base-Backbone interact. energy: -2.983
local terms energy: -346.930067
where:
bonds (distance) C4'-P energy: -108.258
bonds (distance) P-C4' energy: -114.273
flat angles C4'-P-C4' energy: -77.280
flat angles P-C4'-P energy: -61.668
tors. eta vs tors. theta energy: 14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1262.684629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.684629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.684629 (E_RNA)
where:
Base-Base interactions energy: -599.549
where: short stacking energy: -495.422
Base-Backbone interact. energy: -1.646
local terms energy: -661.489261
where:
bonds (distance) C4'-P energy: -142.817
bonds (distance) P-C4' energy: -144.566
flat angles C4'-P-C4' energy: -157.169
flat angles P-C4'-P energy: -79.408
tors. eta vs tors. theta energy: -137.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1125.587775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.587775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.587775 (E_RNA)
where:
Base-Base interactions energy: -523.115
where: short stacking energy: -489.698
Base-Backbone interact. energy: 3.897
local terms energy: -606.370678
where:
bonds (distance) C4'-P energy: -124.880
bonds (distance) P-C4' energy: -135.059
flat angles C4'-P-C4' energy: -141.939
flat angles P-C4'-P energy: -92.751
tors. eta vs tors. theta energy: -111.741
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: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1103.749219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.749219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.749219 (E_RNA)
where:
Base-Base interactions energy: -529.918
where: short stacking energy: -429.195
Base-Backbone interact. energy: 0.533
local terms energy: -574.364841
where:
bonds (distance) C4'-P energy: -118.408
bonds (distance) P-C4' energy: -134.074
flat angles C4'-P-C4' energy: -136.988
flat angles P-C4'-P energy: -89.649
tors. eta vs tors. theta energy: -95.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -989.691839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.691839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.691839 (E_RNA)
where:
Base-Base interactions energy: -473.693
where: short stacking energy: -342.876
Base-Backbone interact. energy: -1.077
local terms energy: -514.921507
where:
bonds (distance) C4'-P energy: -133.978
bonds (distance) P-C4' energy: -132.509
flat angles C4'-P-C4' energy: -116.962
flat angles P-C4'-P energy: -84.034
tors. eta vs tors. theta energy: -47.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -875.179301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.179301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.179301 (E_RNA)
where:
Base-Base interactions energy: -389.274
where: short stacking energy: -292.688
Base-Backbone interact. energy: -0.846
local terms energy: -485.059405
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -131.745
flat angles C4'-P-C4' energy: -128.756
flat angles P-C4'-P energy: -75.759
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -859.321887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.321887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.321887 (E_RNA)
where:
Base-Base interactions energy: -394.960
where: short stacking energy: -310.786
Base-Backbone interact. energy: -1.270
local terms energy: -463.092077
where:
bonds (distance) C4'-P energy: -103.616
bonds (distance) P-C4' energy: -145.852
flat angles C4'-P-C4' energy: -117.416
flat angles P-C4'-P energy: -59.708
tors. eta vs tors. theta energy: -36.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -806.714837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.714837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.714837 (E_RNA)
where:
Base-Base interactions energy: -341.745
where: short stacking energy: -272.402
Base-Backbone interact. energy: -0.793
local terms energy: -464.176582
where:
bonds (distance) C4'-P energy: -118.188
bonds (distance) P-C4' energy: -105.661
flat angles C4'-P-C4' energy: -123.525
flat angles P-C4'-P energy: -97.478
tors. eta vs tors. theta energy: -19.325
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: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -688.224473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.224473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.224473 (E_RNA)
where:
Base-Base interactions energy: -303.713
where: short stacking energy: -209.476
Base-Backbone interact. energy: -4.487
local terms energy: -380.024617
where:
bonds (distance) C4'-P energy: -111.246
bonds (distance) P-C4' energy: -114.718
flat angles C4'-P-C4' energy: -96.531
flat angles P-C4'-P energy: -68.813
tors. eta vs tors. theta energy: 11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -648.356536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.356536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.356536 (E_RNA)
where:
Base-Base interactions energy: -257.599
where: short stacking energy: -192.022
Base-Backbone interact. energy: 1.012
local terms energy: -391.769950
where:
bonds (distance) C4'-P energy: -116.128
bonds (distance) P-C4' energy: -137.327
flat angles C4'-P-C4' energy: -98.613
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: 10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -684.007548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.007548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.007548 (E_RNA)
where:
Base-Base interactions energy: -312.296
where: short stacking energy: -200.763
Base-Backbone interact. energy: 2.066
local terms energy: -373.777604
where:
bonds (distance) C4'-P energy: -106.047
bonds (distance) P-C4' energy: -134.346
flat angles C4'-P-C4' energy: -89.533
flat angles P-C4'-P energy: -48.752
tors. eta vs tors. theta energy: 4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1308.084609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.084609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.084609 (E_RNA)
where:
Base-Base interactions energy: -647.928
where: short stacking energy: -527.649
Base-Backbone interact. energy: -0.405
local terms energy: -659.751468
where:
bonds (distance) C4'-P energy: -147.175
bonds (distance) P-C4' energy: -155.879
flat angles C4'-P-C4' energy: -140.403
flat angles P-C4'-P energy: -89.439
tors. eta vs tors. theta energy: -126.855
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: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1148.256378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.256378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.256378 (E_RNA)
where:
Base-Base interactions energy: -505.835
where: short stacking energy: -446.585
Base-Backbone interact. energy: 1.755
local terms energy: -644.175855
where:
bonds (distance) C4'-P energy: -138.507
bonds (distance) P-C4' energy: -152.990
flat angles C4'-P-C4' energy: -143.852
flat angles P-C4'-P energy: -97.971
tors. eta vs tors. theta energy: -110.856
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: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1187.623961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.623961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.623961 (E_RNA)
where:
Base-Base interactions energy: -614.031
where: short stacking energy: -444.191
Base-Backbone interact. energy: -2.882
local terms energy: -570.711347
where:
bonds (distance) C4'-P energy: -134.152
bonds (distance) P-C4' energy: -127.191
flat angles C4'-P-C4' energy: -143.499
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -90.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1180.395962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.395962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.395962 (E_RNA)
where:
Base-Base interactions energy: -621.153
where: short stacking energy: -425.902
Base-Backbone interact. energy: -3.033
local terms energy: -556.209747
where:
bonds (distance) C4'-P energy: -120.787
bonds (distance) P-C4' energy: -135.772
flat angles C4'-P-C4' energy: -116.070
flat angles P-C4'-P energy: -96.181
tors. eta vs tors. theta energy: -87.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -971.051780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.051780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.051780 (E_RNA)
where:
Base-Base interactions energy: -459.168
where: short stacking energy: -315.612
Base-Backbone interact. energy: 0.894
local terms energy: -512.777506
where:
bonds (distance) C4'-P energy: -140.280
bonds (distance) P-C4' energy: -141.788
flat angles C4'-P-C4' energy: -116.527
flat angles P-C4'-P energy: -63.915
tors. eta vs tors. theta energy: -50.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -869.779324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.779324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.779324 (E_RNA)
where:
Base-Base interactions energy: -401.880
where: short stacking energy: -302.643
Base-Backbone interact. energy: -0.019
local terms energy: -467.880960
where:
bonds (distance) C4'-P energy: -128.618
bonds (distance) P-C4' energy: -115.841
flat angles C4'-P-C4' energy: -117.410
flat angles P-C4'-P energy: -77.278
tors. eta vs tors. theta energy: -28.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -762.226384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.226384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.226384 (E_RNA)
where:
Base-Base interactions energy: -337.343
where: short stacking energy: -231.916
Base-Backbone interact. energy: -2.398
local terms energy: -422.486095
where:
bonds (distance) C4'-P energy: -116.759
bonds (distance) P-C4' energy: -136.404
flat angles C4'-P-C4' energy: -96.304
flat angles P-C4'-P energy: -67.585
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -743.267958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.267958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.267958 (E_RNA)
where:
Base-Base interactions energy: -329.909
where: short stacking energy: -229.784
Base-Backbone interact. energy: 0.650
local terms energy: -414.008529
where:
bonds (distance) C4'-P energy: -122.931
bonds (distance) P-C4' energy: -109.521
flat angles C4'-P-C4' energy: -102.446
flat angles P-C4'-P energy: -65.018
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -823.770827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.770827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.770827 (E_RNA)
where:
Base-Base interactions energy: -381.754
where: short stacking energy: -255.923
Base-Backbone interact. energy: 5.024
local terms energy: -447.040539
where:
bonds (distance) C4'-P energy: -129.957
bonds (distance) P-C4' energy: -125.478
flat angles C4'-P-C4' energy: -83.363
flat angles P-C4'-P energy: -72.785
tors. eta vs tors. theta energy: -35.458
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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -586.802690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.802690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.802690 (E_RNA)
where:
Base-Base interactions energy: -228.876
where: short stacking energy: -158.271
Base-Backbone interact. energy: 0.707
local terms energy: -358.633911
where:
bonds (distance) C4'-P energy: -106.103
bonds (distance) P-C4' energy: -118.666
flat angles C4'-P-C4' energy: -80.930
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: 13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1393.646900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.646900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.646900 (E_RNA)
where:
Base-Base interactions energy: -698.031
where: short stacking energy: -552.215
Base-Backbone interact. energy: -0.780
local terms energy: -694.836272
where:
bonds (distance) C4'-P energy: -130.365
bonds (distance) P-C4' energy: -161.860
flat angles C4'-P-C4' energy: -158.955
flat angles P-C4'-P energy: -102.522
tors. eta vs tors. theta energy: -141.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1401.004214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.004214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.004214 (E_RNA)
where:
Base-Base interactions energy: -781.885
where: short stacking energy: -496.803
Base-Backbone interact. energy: 2.808
local terms energy: -621.927010
where:
bonds (distance) C4'-P energy: -153.479
bonds (distance) P-C4' energy: -134.095
flat angles C4'-P-C4' energy: -122.924
flat angles P-C4'-P energy: -98.364
tors. eta vs tors. theta energy: -113.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1065.605892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.605892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.605892 (E_RNA)
where:
Base-Base interactions energy: -503.205
where: short stacking energy: -422.133
Base-Backbone interact. energy: 0.613
local terms energy: -563.014253
where:
bonds (distance) C4'-P energy: -147.500
bonds (distance) P-C4' energy: -127.858
flat angles C4'-P-C4' energy: -129.665
flat angles P-C4'-P energy: -71.388
tors. eta vs tors. theta energy: -86.604
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: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1242.754197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.754197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.754197 (E_RNA)
where:
Base-Base interactions energy: -658.795
where: short stacking energy: -429.462
Base-Backbone interact. energy: -2.844
local terms energy: -581.116050
where:
bonds (distance) C4'-P energy: -121.699
bonds (distance) P-C4' energy: -137.886
flat angles C4'-P-C4' energy: -130.551
flat angles P-C4'-P energy: -95.194
tors. eta vs tors. theta energy: -95.786
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1000.472460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.472460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.472460 (E_RNA)
where:
Base-Base interactions energy: -515.445
where: short stacking energy: -342.378
Base-Backbone interact. energy: -2.563
local terms energy: -482.464916
where:
bonds (distance) C4'-P energy: -117.282
bonds (distance) P-C4' energy: -125.231
flat angles C4'-P-C4' energy: -119.005
flat angles P-C4'-P energy: -67.525
tors. eta vs tors. theta energy: -53.422
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: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -916.164561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.164561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.164561 (E_RNA)
where:
Base-Base interactions energy: -438.536
where: short stacking energy: -321.282
Base-Backbone interact. energy: -0.926
local terms energy: -476.702901
where:
bonds (distance) C4'-P energy: -115.958
bonds (distance) P-C4' energy: -132.442
flat angles C4'-P-C4' energy: -123.628
flat angles P-C4'-P energy: -70.912
tors. eta vs tors. theta energy: -33.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -794.419614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.419614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.419614 (E_RNA)
where:
Base-Base interactions energy: -366.253
where: short stacking energy: -243.119
Base-Backbone interact. energy: 1.382
local terms energy: -429.548455
where:
bonds (distance) C4'-P energy: -114.474
bonds (distance) P-C4' energy: -128.667
flat angles C4'-P-C4' energy: -108.775
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -849.268714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.268714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.268714 (E_RNA)
where:
Base-Base interactions energy: -412.530
where: short stacking energy: -260.084
Base-Backbone interact. energy: -2.946
local terms energy: -433.792274
where:
bonds (distance) C4'-P energy: -125.684
bonds (distance) P-C4' energy: -116.608
flat angles C4'-P-C4' energy: -110.449
flat angles P-C4'-P energy: -57.532
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -712.363343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.363343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.363343 (E_RNA)
where:
Base-Base interactions energy: -324.432
where: short stacking energy: -207.202
Base-Backbone interact. energy: -1.682
local terms energy: -386.248611
where:
bonds (distance) C4'-P energy: -112.070
bonds (distance) P-C4' energy: -107.504
flat angles C4'-P-C4' energy: -90.592
flat angles P-C4'-P energy: -77.368
tors. eta vs tors. theta energy: 1.285
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: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -624.759113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.759113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.759113 (E_RNA)
where:
Base-Base interactions energy: -242.548
where: short stacking energy: -183.620
Base-Backbone interact. energy: 5.807
local terms energy: -388.018441
where:
bonds (distance) C4'-P energy: -109.963
bonds (distance) P-C4' energy: -128.694
flat angles C4'-P-C4' energy: -99.093
flat angles P-C4'-P energy: -66.078
tors. eta vs tors. theta energy: 15.810
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: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1558.673180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.673180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.673180 (E_RNA)
where:
Base-Base interactions energy: -903.115
where: short stacking energy: -523.227
Base-Backbone interact. energy: -1.219
local terms energy: -654.338234
where:
bonds (distance) C4'-P energy: -144.981
bonds (distance) P-C4' energy: -151.803
flat angles C4'-P-C4' energy: -153.204
flat angles P-C4'-P energy: -87.748
tors. eta vs tors. theta energy: -116.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1334.391358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.391358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.391358 (E_RNA)
where:
Base-Base interactions energy: -702.853
where: short stacking energy: -481.626
Base-Backbone interact. energy: 0.400
local terms energy: -631.937714
where:
bonds (distance) C4'-P energy: -146.620
bonds (distance) P-C4' energy: -136.854
flat angles C4'-P-C4' energy: -153.843
flat angles P-C4'-P energy: -87.289
tors. eta vs tors. theta energy: -107.333
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: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1328.714863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.714863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.714863 (E_RNA)
where:
Base-Base interactions energy: -727.764
where: short stacking energy: -465.109
Base-Backbone interact. energy: -1.757
local terms energy: -599.194659
where:
bonds (distance) C4'-P energy: -127.670
bonds (distance) P-C4' energy: -138.333
flat angles C4'-P-C4' energy: -143.417
flat angles P-C4'-P energy: -82.693
tors. eta vs tors. theta energy: -107.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1092.260573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.260573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.260573 (E_RNA)
where:
Base-Base interactions energy: -565.875
where: short stacking energy: -392.070
Base-Backbone interact. energy: -0.824
local terms energy: -525.562366
where:
bonds (distance) C4'-P energy: -117.059
bonds (distance) P-C4' energy: -139.049
flat angles C4'-P-C4' energy: -118.462
flat angles P-C4'-P energy: -84.736
tors. eta vs tors. theta energy: -66.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1056.177229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.177229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.177229 (E_RNA)
where:
Base-Base interactions energy: -537.458
where: short stacking energy: -355.093
Base-Backbone interact. energy: -2.076
local terms energy: -516.643326
where:
bonds (distance) C4'-P energy: -130.341
bonds (distance) P-C4' energy: -128.994
flat angles C4'-P-C4' energy: -110.213
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -55.142
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -934.869633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.869633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.869633 (E_RNA)
where:
Base-Base interactions energy: -481.797
where: short stacking energy: -316.754
Base-Backbone interact. energy: 4.496
local terms energy: -457.568614
where:
bonds (distance) C4'-P energy: -124.586
bonds (distance) P-C4' energy: -106.866
flat angles C4'-P-C4' energy: -116.786
flat angles P-C4'-P energy: -78.748
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -933.109931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.109931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.109931 (E_RNA)
where:
Base-Base interactions energy: -461.875
where: short stacking energy: -276.137
Base-Backbone interact. energy: 0.026
local terms energy: -471.261389
where:
bonds (distance) C4'-P energy: -124.493
bonds (distance) P-C4' energy: -120.466
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -76.924
tors. eta vs tors. theta energy: -32.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -685.155220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.155220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.155220 (E_RNA)
where:
Base-Base interactions energy: -325.646
where: short stacking energy: -209.754
Base-Backbone interact. energy: -0.426
local terms energy: -359.083124
where:
bonds (distance) C4'-P energy: -109.954
bonds (distance) P-C4' energy: -111.970
flat angles C4'-P-C4' energy: -94.139
flat angles P-C4'-P energy: -59.946
tors. eta vs tors. theta energy: 16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -770.401869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.401869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.401869 (E_RNA)
where:
Base-Base interactions energy: -387.283
where: short stacking energy: -241.709
Base-Backbone interact. energy: -0.127
local terms energy: -382.992104
where:
bonds (distance) C4'-P energy: -117.271
bonds (distance) P-C4' energy: -105.895
flat angles C4'-P-C4' energy: -82.289
flat angles P-C4'-P energy: -61.281
tors. eta vs tors. theta energy: -16.255
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -546.545422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.545422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.545422 (E_RNA)
where:
Base-Base interactions energy: -206.443
where: short stacking energy: -150.746
Base-Backbone interact. energy: 2.869
local terms energy: -342.971768
where:
bonds (distance) C4'-P energy: -117.438
bonds (distance) P-C4' energy: -124.720
flat angles C4'-P-C4' energy: -88.239
flat angles P-C4'-P energy: -55.258
tors. eta vs tors. theta energy: 42.684
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1647.103298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.103298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.103298 (E_RNA)
where:
Base-Base interactions energy: -940.330
where: short stacking energy: -560.753
Base-Backbone interact. energy: -0.381
local terms energy: -706.392406
where:
bonds (distance) C4'-P energy: -154.866
bonds (distance) P-C4' energy: -153.467
flat angles C4'-P-C4' energy: -155.108
flat angles P-C4'-P energy: -100.135
tors. eta vs tors. theta energy: -142.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1509.536736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.536736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.536736 (E_RNA)
where:
Base-Base interactions energy: -872.142
where: short stacking energy: -538.171
Base-Backbone interact. energy: -1.145
local terms energy: -636.250005
where:
bonds (distance) C4'-P energy: -118.756
bonds (distance) P-C4' energy: -146.223
flat angles C4'-P-C4' energy: -139.586
flat angles P-C4'-P energy: -103.771
tors. eta vs tors. theta energy: -127.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1303.904857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.904857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.904857 (E_RNA)
where:
Base-Base interactions energy: -728.447
where: short stacking energy: -400.388
Base-Backbone interact. energy: -2.938
local terms energy: -572.520155
where:
bonds (distance) C4'-P energy: -136.556
bonds (distance) P-C4' energy: -129.669
flat angles C4'-P-C4' energy: -155.250
flat angles P-C4'-P energy: -74.671
tors. eta vs tors. theta energy: -76.375
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: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1148.337600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.337600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.337600 (E_RNA)
where:
Base-Base interactions energy: -578.533
where: short stacking energy: -430.191
Base-Backbone interact. energy: -2.282
local terms energy: -567.522177
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -126.376
flat angles C4'-P-C4' energy: -139.307
flat angles P-C4'-P energy: -82.270
tors. eta vs tors. theta energy: -101.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1098.440949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.440949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.440949 (E_RNA)
where:
Base-Base interactions energy: -589.465
where: short stacking energy: -401.835
Base-Backbone interact. energy: 4.694
local terms energy: -513.669710
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -137.573
flat angles C4'-P-C4' energy: -125.294
flat angles P-C4'-P energy: -65.920
tors. eta vs tors. theta energy: -72.914
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: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1004.538142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.538142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.538142 (E_RNA)
where:
Base-Base interactions energy: -528.620
where: short stacking energy: -315.638
Base-Backbone interact. energy: -1.676
local terms energy: -474.242038
where:
bonds (distance) C4'-P energy: -123.104
bonds (distance) P-C4' energy: -120.270
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -86.075
tors. eta vs tors. theta energy: -26.035
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: 9
Temperature: 1.200000
Total energy: -852.072027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.072027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.072027 (E_RNA)
where:
Base-Base interactions energy: -413.124
where: short stacking energy: -260.916
Base-Backbone interact. energy: 4.681
local terms energy: -443.629112
where:
bonds (distance) C4'-P energy: -125.490
bonds (distance) P-C4' energy: -116.501
flat angles C4'-P-C4' energy: -114.086
flat angles P-C4'-P energy: -60.015
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -811.067588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.067588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.067588 (E_RNA)
where:
Base-Base interactions energy: -402.786
where: short stacking energy: -251.697
Base-Backbone interact. energy: 1.190
local terms energy: -409.471820
where:
bonds (distance) C4'-P energy: -117.616
bonds (distance) P-C4' energy: -132.480
flat angles C4'-P-C4' energy: -90.470
flat angles P-C4'-P energy: -62.155
tors. eta vs tors. theta energy: -6.751
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: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -665.596867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.596867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.596867 (E_RNA)
where:
Base-Base interactions energy: -293.931
where: short stacking energy: -200.665
Base-Backbone interact. energy: 3.194
local terms energy: -374.859567
where:
bonds (distance) C4'-P energy: -123.820
bonds (distance) P-C4' energy: -123.275
flat angles C4'-P-C4' energy: -91.962
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: 19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -595.843943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.843943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.843943 (E_RNA)
where:
Base-Base interactions energy: -236.254
where: short stacking energy: -142.486
Base-Backbone interact. energy: -0.415
local terms energy: -359.175117
where:
bonds (distance) C4'-P energy: -116.801
bonds (distance) P-C4' energy: -121.021
flat angles C4'-P-C4' energy: -101.886
flat angles P-C4'-P energy: -42.731
tors. eta vs tors. theta energy: 23.264
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: 10
Temperature: 0.900000
Total energy: -1664.542655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.542655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.542655 (E_RNA)
where:
Base-Base interactions energy: -988.066
where: short stacking energy: -554.545
Base-Backbone interact. energy: 1.215
local terms energy: -677.692058
where:
bonds (distance) C4'-P energy: -134.528
bonds (distance) P-C4' energy: -151.767
flat angles C4'-P-C4' energy: -148.502
flat angles P-C4'-P energy: -97.177
tors. eta vs tors. theta energy: -145.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1553.118153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.118153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.118153 (E_RNA)
where:
Base-Base interactions energy: -911.648
where: short stacking energy: -525.095
Base-Backbone interact. energy: 0.717
local terms energy: -642.187536
where:
bonds (distance) C4'-P energy: -133.305
bonds (distance) P-C4' energy: -147.119
flat angles C4'-P-C4' energy: -141.656
flat angles P-C4'-P energy: -100.030
tors. eta vs tors. theta energy: -120.077
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: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1319.547707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.547707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.547707 (E_RNA)
where:
Base-Base interactions energy: -740.488
where: short stacking energy: -471.466
Base-Backbone interact. energy: -1.233
local terms energy: -577.826347
where:
bonds (distance) C4'-P energy: -117.747
bonds (distance) P-C4' energy: -138.874
flat angles C4'-P-C4' energy: -152.124
flat angles P-C4'-P energy: -81.330
tors. eta vs tors. theta energy: -87.752
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1168.727314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.727314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.727314 (E_RNA)
where:
Base-Base interactions energy: -590.805
where: short stacking energy: -431.408
Base-Backbone interact. energy: -2.110
local terms energy: -575.812297
where:
bonds (distance) C4'-P energy: -118.401
bonds (distance) P-C4' energy: -134.955
flat angles C4'-P-C4' energy: -134.266
flat angles P-C4'-P energy: -92.146
tors. eta vs tors. theta energy: -96.044
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: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1160.026704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.026704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.026704 (E_RNA)
where:
Base-Base interactions energy: -633.979
where: short stacking energy: -363.692
Base-Backbone interact. energy: -0.438
local terms energy: -525.609862
where:
bonds (distance) C4'-P energy: -113.448
bonds (distance) P-C4' energy: -147.152
flat angles C4'-P-C4' energy: -127.353
flat angles P-C4'-P energy: -67.555
tors. eta vs tors. theta energy: -70.102
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: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1099.429761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.429761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.429761 (E_RNA)
where:
Base-Base interactions energy: -628.696
where: short stacking energy: -340.657
Base-Backbone interact. energy: -1.802
local terms energy: -468.931793
where:
bonds (distance) C4'-P energy: -120.242
bonds (distance) P-C4' energy: -114.035
flat angles C4'-P-C4' energy: -115.436
flat angles P-C4'-P energy: -71.698
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -911.641898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.641898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.641898 (E_RNA)
where:
Base-Base interactions energy: -451.748
where: short stacking energy: -272.532
Base-Backbone interact. energy: 8.127
local terms energy: -468.020842
where:
bonds (distance) C4'-P energy: -112.454
bonds (distance) P-C4' energy: -121.188
flat angles C4'-P-C4' energy: -133.887
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -935.934037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.934037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.934037 (E_RNA)
where:
Base-Base interactions energy: -509.980
where: short stacking energy: -273.271
Base-Backbone interact. energy: 0.350
local terms energy: -426.304617
where:
bonds (distance) C4'-P energy: -116.781
bonds (distance) P-C4' energy: -129.603
flat angles C4'-P-C4' energy: -102.879
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -13.286
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: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -662.764350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.764350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.764350 (E_RNA)
where:
Base-Base interactions energy: -237.023
where: short stacking energy: -191.634
Base-Backbone interact. energy: -2.656
local terms energy: -423.085223
where:
bonds (distance) C4'-P energy: -121.987
bonds (distance) P-C4' energy: -136.090
flat angles C4'-P-C4' energy: -84.517
flat angles P-C4'-P energy: -77.150
tors. eta vs tors. theta energy: -3.341
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -618.289436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.289436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.289436 (E_RNA)
where:
Base-Base interactions energy: -267.603
where: short stacking energy: -218.267
Base-Backbone interact. energy: -0.455
local terms energy: -350.231526
where:
bonds (distance) C4'-P energy: -87.155
bonds (distance) P-C4' energy: -118.296
flat angles C4'-P-C4' energy: -95.418
flat angles P-C4'-P energy: -53.376
tors. eta vs tors. theta energy: 4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1657.662979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.662979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.662979 (E_RNA)
where:
Base-Base interactions energy: -1019.034
where: short stacking energy: -584.314
Base-Backbone interact. energy: 0.524
local terms energy: -639.153736
where:
bonds (distance) C4'-P energy: -127.977
bonds (distance) P-C4' energy: -131.602
flat angles C4'-P-C4' energy: -144.130
flat angles P-C4'-P energy: -87.323
tors. eta vs tors. theta energy: -148.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1669.068118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.068118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.068118 (E_RNA)
where:
Base-Base interactions energy: -983.367
where: short stacking energy: -570.221
Base-Backbone interact. energy: -1.193
local terms energy: -684.508272
where:
bonds (distance) C4'-P energy: -139.797
bonds (distance) P-C4' energy: -144.292
flat angles C4'-P-C4' energy: -153.131
flat angles P-C4'-P energy: -97.339
tors. eta vs tors. theta energy: -149.949
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1367.648674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.648674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.648674 (E_RNA)
where:
Base-Base interactions energy: -794.598
where: short stacking energy: -441.354
Base-Backbone interact. energy: -0.234
local terms energy: -572.816087
where:
bonds (distance) C4'-P energy: -127.299
bonds (distance) P-C4' energy: -151.056
flat angles C4'-P-C4' energy: -133.038
flat angles P-C4'-P energy: -74.971
tors. eta vs tors. theta energy: -86.453
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: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1294.324804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.324804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.324804 (E_RNA)
where:
Base-Base interactions energy: -742.670
where: short stacking energy: -415.352
Base-Backbone interact. energy: -1.779
local terms energy: -549.875220
where:
bonds (distance) C4'-P energy: -138.869
bonds (distance) P-C4' energy: -125.482
flat angles C4'-P-C4' energy: -124.320
flat angles P-C4'-P energy: -65.172
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1104.726448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.726448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.726448 (E_RNA)
where:
Base-Base interactions energy: -558.096
where: short stacking energy: -370.257
Base-Backbone interact. energy: -2.941
local terms energy: -543.689398
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -140.214
flat angles P-C4'-P energy: -75.381
tors. eta vs tors. theta energy: -70.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1136.679478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.679478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.679478 (E_RNA)
where:
Base-Base interactions energy: -653.633
where: short stacking energy: -355.213
Base-Backbone interact. energy: -0.180
local terms energy: -482.867124
where:
bonds (distance) C4'-P energy: -131.362
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -108.538
flat angles P-C4'-P energy: -78.294
tors. eta vs tors. theta energy: -51.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -847.322028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.322028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.322028 (E_RNA)
where:
Base-Base interactions energy: -402.058
where: short stacking energy: -261.134
Base-Backbone interact. energy: -6.330
local terms energy: -438.933713
where:
bonds (distance) C4'-P energy: -109.708
bonds (distance) P-C4' energy: -134.114
flat angles C4'-P-C4' energy: -113.165
flat angles P-C4'-P energy: -64.205
tors. eta vs tors. theta energy: -17.742
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: 8, replica: 5
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -886.968548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.968548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.968548 (E_RNA)
where:
Base-Base interactions energy: -476.345
where: short stacking energy: -262.469
Base-Backbone interact. energy: 1.752
local terms energy: -412.375451
where:
bonds (distance) C4'-P energy: -102.811
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -123.154
flat angles P-C4'-P energy: -67.866
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -677.823249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.823249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.823249 (E_RNA)
where:
Base-Base interactions energy: -304.680
where: short stacking energy: -190.503
Base-Backbone interact. energy: 5.683
local terms energy: -378.826078
where:
bonds (distance) C4'-P energy: -104.261
bonds (distance) P-C4' energy: -117.798
flat angles C4'-P-C4' energy: -114.502
flat angles P-C4'-P energy: -51.972
tors. eta vs tors. theta energy: 9.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -592.620727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.620727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.620727 (E_RNA)
where:
Base-Base interactions energy: -260.667
where: short stacking energy: -186.334
Base-Backbone interact. energy: 0.184
local terms energy: -332.137664
where:
bonds (distance) C4'-P energy: -96.390
bonds (distance) P-C4' energy: -114.285
flat angles C4'-P-C4' energy: -104.774
flat angles P-C4'-P energy: -42.502
tors. eta vs tors. theta energy: 25.812
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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1666.109849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.109849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.109849 (E_RNA)
where:
Base-Base interactions energy: -976.396
where: short stacking energy: -563.281
Base-Backbone interact. energy: -2.653
local terms energy: -687.060247
where:
bonds (distance) C4'-P energy: -140.907
bonds (distance) P-C4' energy: -147.446
flat angles C4'-P-C4' energy: -164.276
flat angles P-C4'-P energy: -93.591
tors. eta vs tors. theta energy: -140.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1642.362948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.362948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.362948 (E_RNA)
where:
Base-Base interactions energy: -1003.078
where: short stacking energy: -541.315
Base-Backbone interact. energy: -3.384
local terms energy: -635.900361
where:
bonds (distance) C4'-P energy: -137.949
bonds (distance) P-C4' energy: -130.456
flat angles C4'-P-C4' energy: -135.050
flat angles P-C4'-P energy: -101.808
tors. eta vs tors. theta energy: -130.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1344.018632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.018632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.018632 (E_RNA)
where:
Base-Base interactions energy: -776.097
where: short stacking energy: -471.648
Base-Backbone interact. energy: 0.454
local terms energy: -568.375123
where:
bonds (distance) C4'-P energy: -108.434
bonds (distance) P-C4' energy: -144.545
flat angles C4'-P-C4' energy: -140.730
flat angles P-C4'-P energy: -63.996
tors. eta vs tors. theta energy: -110.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1316.405836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.405836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.405836 (E_RNA)
where:
Base-Base interactions energy: -749.625
where: short stacking energy: -430.958
Base-Backbone interact. energy: -3.644
local terms energy: -563.137514
where:
bonds (distance) C4'-P energy: -130.592
bonds (distance) P-C4' energy: -144.354
flat angles C4'-P-C4' energy: -132.472
flat angles P-C4'-P energy: -76.917
tors. eta vs tors. theta energy: -78.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1226.951294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.951294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.951294 (E_RNA)
where:
Base-Base interactions energy: -691.173
where: short stacking energy: -366.770
Base-Backbone interact. energy: 9.111
local terms energy: -544.888886
where:
bonds (distance) C4'-P energy: -136.512
bonds (distance) P-C4' energy: -137.918
flat angles C4'-P-C4' energy: -128.704
flat angles P-C4'-P energy: -77.469
tors. eta vs tors. theta energy: -64.285
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: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1015.774433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.774433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.774433 (E_RNA)
where:
Base-Base interactions energy: -523.395
where: short stacking energy: -332.287
Base-Backbone interact. energy: -0.829
local terms energy: -491.550594
where:
bonds (distance) C4'-P energy: -135.639
bonds (distance) P-C4' energy: -131.766
flat angles C4'-P-C4' energy: -111.941
flat angles P-C4'-P energy: -65.578
tors. eta vs tors. theta energy: -46.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -919.504853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.504853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.504853 (E_RNA)
where:
Base-Base interactions energy: -456.823
where: short stacking energy: -273.200
Base-Backbone interact. energy: -1.016
local terms energy: -461.666359
where:
bonds (distance) C4'-P energy: -129.858
bonds (distance) P-C4' energy: -132.082
flat angles C4'-P-C4' energy: -107.745
flat angles P-C4'-P energy: -60.506
tors. eta vs tors. theta energy: -31.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -847.296138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.296138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.296138 (E_RNA)
where:
Base-Base interactions energy: -406.596
where: short stacking energy: -242.175
Base-Backbone interact. energy: 0.165
local terms energy: -440.865132
where:
bonds (distance) C4'-P energy: -140.306
bonds (distance) P-C4' energy: -128.583
flat angles C4'-P-C4' energy: -101.695
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -661.920092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.920092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.920092 (E_RNA)
where:
Base-Base interactions energy: -270.660
where: short stacking energy: -190.492
Base-Backbone interact. energy: 0.630
local terms energy: -391.890119
where:
bonds (distance) C4'-P energy: -123.784
bonds (distance) P-C4' energy: -126.207
flat angles C4'-P-C4' energy: -110.891
flat angles P-C4'-P energy: -46.869
tors. eta vs tors. theta energy: 15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -578.564875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.564875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.564875 (E_RNA)
where:
Base-Base interactions energy: -206.726
where: short stacking energy: -156.744
Base-Backbone interact. energy: 2.847
local terms energy: -374.685624
where:
bonds (distance) C4'-P energy: -125.623
bonds (distance) P-C4' energy: -114.786
flat angles C4'-P-C4' energy: -87.600
flat angles P-C4'-P energy: -65.062
tors. eta vs tors. theta energy: 18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1657.164307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.164307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.164307 (E_RNA)
where:
Base-Base interactions energy: -986.746
where: short stacking energy: -552.050
Base-Backbone interact. energy: -0.433
local terms energy: -669.985817
where:
bonds (distance) C4'-P energy: -149.559
bonds (distance) P-C4' energy: -132.819
flat angles C4'-P-C4' energy: -163.057
flat angles P-C4'-P energy: -103.516
tors. eta vs tors. theta energy: -121.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1638.641596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.641596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.641596 (E_RNA)
where:
Base-Base interactions energy: -968.382
where: short stacking energy: -550.328
Base-Backbone interact. energy: 0.170
local terms energy: -670.429407
where:
bonds (distance) C4'-P energy: -147.616
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -141.022
flat angles P-C4'-P energy: -99.689
tors. eta vs tors. theta energy: -155.174
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: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1339.482362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.482362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.482362 (E_RNA)
where:
Base-Base interactions energy: -749.132
where: short stacking energy: -439.908
Base-Backbone interact. energy: 2.275
local terms energy: -592.625677
where:
bonds (distance) C4'-P energy: -142.625
bonds (distance) P-C4' energy: -129.741
flat angles C4'-P-C4' energy: -149.651
flat angles P-C4'-P energy: -75.700
tors. eta vs tors. theta energy: -94.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1415.237667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.237667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.237667 (E_RNA)
where:
Base-Base interactions energy: -840.355
where: short stacking energy: -439.313
Base-Backbone interact. energy: 2.213
local terms energy: -577.096043
where:
bonds (distance) C4'-P energy: -125.080
bonds (distance) P-C4' energy: -144.516
flat angles C4'-P-C4' energy: -140.867
flat angles P-C4'-P energy: -72.777
tors. eta vs tors. theta energy: -93.855
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: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1338.736354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.736354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.736354 (E_RNA)
where:
Base-Base interactions energy: -774.987
where: short stacking energy: -410.130
Base-Backbone interact. energy: -0.102
local terms energy: -563.646455
where:
bonds (distance) C4'-P energy: -140.925
bonds (distance) P-C4' energy: -133.863
flat angles C4'-P-C4' energy: -123.092
flat angles P-C4'-P energy: -89.380
tors. eta vs tors. theta energy: -76.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1072.303589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.303589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.303589 (E_RNA)
where:
Base-Base interactions energy: -534.726
where: short stacking energy: -322.312
Base-Backbone interact. energy: 1.383
local terms energy: -538.959624
where:
bonds (distance) C4'-P energy: -137.034
bonds (distance) P-C4' energy: -130.657
flat angles C4'-P-C4' energy: -120.558
flat angles P-C4'-P energy: -85.385
tors. eta vs tors. theta energy: -65.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -961.850088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.850088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.850088 (E_RNA)
where:
Base-Base interactions energy: -513.156
where: short stacking energy: -311.444
Base-Backbone interact. energy: -1.133
local terms energy: -447.561314
where:
bonds (distance) C4'-P energy: -112.909
bonds (distance) P-C4' energy: -125.319
flat angles C4'-P-C4' energy: -120.091
flat angles P-C4'-P energy: -68.912
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -914.748443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.748443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.748443 (E_RNA)
where:
Base-Base interactions energy: -477.659
where: short stacking energy: -283.510
Base-Backbone interact. energy: 4.881
local terms energy: -441.970446
where:
bonds (distance) C4'-P energy: -123.517
bonds (distance) P-C4' energy: -115.592
flat angles C4'-P-C4' energy: -103.154
flat angles P-C4'-P energy: -75.804
tors. eta vs tors. theta energy: -23.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -720.752484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.752484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.752484 (E_RNA)
where:
Base-Base interactions energy: -292.090
where: short stacking energy: -198.275
Base-Backbone interact. energy: -0.333
local terms energy: -428.329637
where:
bonds (distance) C4'-P energy: -126.412
bonds (distance) P-C4' energy: -131.369
flat angles C4'-P-C4' energy: -101.665
flat angles P-C4'-P energy: -77.288
tors. eta vs tors. theta energy: 8.404
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -547.565548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.565548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.565548 (E_RNA)
where:
Base-Base interactions energy: -195.242
where: short stacking energy: -180.547
Base-Backbone interact. energy: 0.863
local terms energy: -353.186473
where:
bonds (distance) C4'-P energy: -92.322
bonds (distance) P-C4' energy: -127.908
flat angles C4'-P-C4' energy: -99.534
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: 2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1754.446196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.446196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.446196 (E_RNA)
where:
Base-Base interactions energy: -1042.943
where: short stacking energy: -610.288
Base-Backbone interact. energy: -3.511
local terms energy: -707.992929
where:
bonds (distance) C4'-P energy: -130.451
bonds (distance) P-C4' energy: -150.308
flat angles C4'-P-C4' energy: -153.225
flat angles P-C4'-P energy: -110.885
tors. eta vs tors. theta energy: -163.124
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: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1536.619196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.619196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.619196 (E_RNA)
where:
Base-Base interactions energy: -910.472
where: short stacking energy: -494.701
Base-Backbone interact. energy: -1.184
local terms energy: -624.963543
where:
bonds (distance) C4'-P energy: -138.912
bonds (distance) P-C4' energy: -148.514
flat angles C4'-P-C4' energy: -148.753
flat angles P-C4'-P energy: -85.997
tors. eta vs tors. theta energy: -102.788
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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1526.637384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.637384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.637384 (E_RNA)
where:
Base-Base interactions energy: -923.289
where: short stacking energy: -458.784
Base-Backbone interact. energy: 0.258
local terms energy: -603.606081
where:
bonds (distance) C4'-P energy: -130.389
bonds (distance) P-C4' energy: -143.124
flat angles C4'-P-C4' energy: -146.890
flat angles P-C4'-P energy: -77.693
tors. eta vs tors. theta energy: -105.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1293.236548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.236548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.236548 (E_RNA)
where:
Base-Base interactions energy: -727.126
where: short stacking energy: -422.875
Base-Backbone interact. energy: 0.527
local terms energy: -566.637251
where:
bonds (distance) C4'-P energy: -126.403
bonds (distance) P-C4' energy: -125.823
flat angles C4'-P-C4' energy: -134.551
flat angles P-C4'-P energy: -86.787
tors. eta vs tors. theta energy: -93.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1301.717865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.717865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.717865 (E_RNA)
where:
Base-Base interactions energy: -747.741
where: short stacking energy: -398.688
Base-Backbone interact. energy: -0.212
local terms energy: -553.764956
where:
bonds (distance) C4'-P energy: -132.016
bonds (distance) P-C4' energy: -141.150
flat angles C4'-P-C4' energy: -136.590
flat angles P-C4'-P energy: -91.158
tors. eta vs tors. theta energy: -52.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1134.440683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.440683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.440683 (E_RNA)
where:
Base-Base interactions energy: -608.331
where: short stacking energy: -383.592
Base-Backbone interact. energy: 0.305
local terms energy: -526.415426
where:
bonds (distance) C4'-P energy: -123.403
bonds (distance) P-C4' energy: -131.740
flat angles C4'-P-C4' energy: -121.554
flat angles P-C4'-P energy: -85.106
tors. eta vs tors. theta energy: -64.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -984.129267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.129267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.129267 (E_RNA)
where:
Base-Base interactions energy: -507.292
where: short stacking energy: -278.617
Base-Backbone interact. energy: 7.333
local terms energy: -484.170152
where:
bonds (distance) C4'-P energy: -125.564
bonds (distance) P-C4' energy: -147.825
flat angles C4'-P-C4' energy: -103.441
flat angles P-C4'-P energy: -74.426
tors. eta vs tors. theta energy: -32.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -922.636601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.636601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.636601 (E_RNA)
where:
Base-Base interactions energy: -472.335
where: short stacking energy: -268.511
Base-Backbone interact. energy: -1.435
local terms energy: -448.867085
where:
bonds (distance) C4'-P energy: -119.315
bonds (distance) P-C4' energy: -131.739
flat angles C4'-P-C4' energy: -103.553
flat angles P-C4'-P energy: -62.471
tors. eta vs tors. theta energy: -31.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -751.720630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.720630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.720630 (E_RNA)
where:
Base-Base interactions energy: -356.613
where: short stacking energy: -202.250
Base-Backbone interact. energy: 8.502
local terms energy: -403.609655
where:
bonds (distance) C4'-P energy: -121.736
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -106.536
flat angles P-C4'-P energy: -59.650
tors. eta vs tors. theta energy: 6.113
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -569.686138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.686138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.686138 (E_RNA)
where:
Base-Base interactions energy: -215.511
where: short stacking energy: -159.204
Base-Backbone interact. energy: -0.022
local terms energy: -354.152728
where:
bonds (distance) C4'-P energy: -122.683
bonds (distance) P-C4' energy: -121.503
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -32.753
tors. eta vs tors. theta energy: 30.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1831.350177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.350177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.350177 (E_RNA)
where:
Base-Base interactions energy: -1100.275
where: short stacking energy: -636.398
Base-Backbone interact. energy: 2.737
local terms energy: -733.812223
where:
bonds (distance) C4'-P energy: -119.825
bonds (distance) P-C4' energy: -154.837
flat angles C4'-P-C4' energy: -164.757
flat angles P-C4'-P energy: -112.141
tors. eta vs tors. theta energy: -182.252
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: 15
Temperature: 0.950000
Total energy: -1562.645656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.645656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.645656 (E_RNA)
where:
Base-Base interactions energy: -925.885
where: short stacking energy: -507.576
Base-Backbone interact. energy: 1.695
local terms energy: -638.455664
where:
bonds (distance) C4'-P energy: -136.518
bonds (distance) P-C4' energy: -144.565
flat angles C4'-P-C4' energy: -142.019
flat angles P-C4'-P energy: -95.448
tors. eta vs tors. theta energy: -119.906
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: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1566.144982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.144982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.144982 (E_RNA)
where:
Base-Base interactions energy: -899.292
where: short stacking energy: -521.633
Base-Backbone interact. energy: -0.930
local terms energy: -665.922437
where:
bonds (distance) C4'-P energy: -132.024
bonds (distance) P-C4' energy: -139.051
flat angles C4'-P-C4' energy: -150.201
flat angles P-C4'-P energy: -102.549
tors. eta vs tors. theta energy: -142.098
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: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1321.723246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.723246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.723246 (E_RNA)
where:
Base-Base interactions energy: -749.697
where: short stacking energy: -429.135
Base-Backbone interact. energy: -2.732
local terms energy: -569.293806
where:
bonds (distance) C4'-P energy: -125.450
bonds (distance) P-C4' energy: -130.018
flat angles C4'-P-C4' energy: -141.937
flat angles P-C4'-P energy: -76.187
tors. eta vs tors. theta energy: -95.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1321.519020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.519020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.519020 (E_RNA)
where:
Base-Base interactions energy: -782.145
where: short stacking energy: -391.070
Base-Backbone interact. energy: -0.130
local terms energy: -539.244060
where:
bonds (distance) C4'-P energy: -116.124
bonds (distance) P-C4' energy: -142.482
flat angles C4'-P-C4' energy: -126.214
flat angles P-C4'-P energy: -86.335
tors. eta vs tors. theta energy: -68.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1200.839943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.839943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.839943 (E_RNA)
where:
Base-Base interactions energy: -671.809
where: short stacking energy: -364.133
Base-Backbone interact. energy: 0.161
local terms energy: -529.191599
where:
bonds (distance) C4'-P energy: -117.492
bonds (distance) P-C4' energy: -138.884
flat angles C4'-P-C4' energy: -129.595
flat angles P-C4'-P energy: -79.992
tors. eta vs tors. theta energy: -63.229
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: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1029.927581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.927581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.927581 (E_RNA)
where:
Base-Base interactions energy: -542.499
where: short stacking energy: -283.012
Base-Backbone interact. energy: -0.443
local terms energy: -486.986114
where:
bonds (distance) C4'-P energy: -129.857
bonds (distance) P-C4' energy: -115.219
flat angles C4'-P-C4' energy: -125.140
flat angles P-C4'-P energy: -86.781
tors. eta vs tors. theta energy: -29.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -913.226166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.226166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.226166 (E_RNA)
where:
Base-Base interactions energy: -479.533
where: short stacking energy: -256.083
Base-Backbone interact. energy: 0.970
local terms energy: -434.662881
where:
bonds (distance) C4'-P energy: -111.529
bonds (distance) P-C4' energy: -109.748
flat angles C4'-P-C4' energy: -108.865
flat angles P-C4'-P energy: -81.958
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -792.862863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.862863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.862863 (E_RNA)
where:
Base-Base interactions energy: -382.437
where: short stacking energy: -214.096
Base-Backbone interact. energy: 2.340
local terms energy: -412.766182
where:
bonds (distance) C4'-P energy: -110.432
bonds (distance) P-C4' energy: -125.160
flat angles C4'-P-C4' energy: -114.991
flat angles P-C4'-P energy: -63.445
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -601.795553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.795553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.795553 (E_RNA)
where:
Base-Base interactions energy: -258.457
where: short stacking energy: -196.238
Base-Backbone interact. energy: -0.304
local terms energy: -343.034974
where:
bonds (distance) C4'-P energy: -109.870
bonds (distance) P-C4' energy: -119.008
flat angles C4'-P-C4' energy: -88.718
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: 8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1828.176470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.176470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.176470 (E_RNA)
where:
Base-Base interactions energy: -1125.537
where: short stacking energy: -617.639
Base-Backbone interact. energy: 1.232
local terms energy: -703.872083
where:
bonds (distance) C4'-P energy: -135.567
bonds (distance) P-C4' energy: -153.808
flat angles C4'-P-C4' energy: -154.721
flat angles P-C4'-P energy: -104.002
tors. eta vs tors. theta energy: -155.774
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1659.246424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.246424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.246424 (E_RNA)
where:
Base-Base interactions energy: -1008.427
where: short stacking energy: -548.431
Base-Backbone interact. energy: -0.706
local terms energy: -650.113656
where:
bonds (distance) C4'-P energy: -130.588
bonds (distance) P-C4' energy: -131.784
flat angles C4'-P-C4' energy: -147.585
flat angles P-C4'-P energy: -98.123
tors. eta vs tors. theta energy: -142.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1552.699839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.699839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.699839 (E_RNA)
where:
Base-Base interactions energy: -921.010
where: short stacking energy: -506.967
Base-Backbone interact. energy: -2.972
local terms energy: -628.717993
where:
bonds (distance) C4'-P energy: -121.694
bonds (distance) P-C4' energy: -144.415
flat angles C4'-P-C4' energy: -146.204
flat angles P-C4'-P energy: -92.401
tors. eta vs tors. theta energy: -124.004
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: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1331.701554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.701554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.701554 (E_RNA)
where:
Base-Base interactions energy: -764.859
where: short stacking energy: -431.718
Base-Backbone interact. energy: -1.342
local terms energy: -565.501071
where:
bonds (distance) C4'-P energy: -129.279
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -122.972
flat angles P-C4'-P energy: -71.337
tors. eta vs tors. theta energy: -105.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1371.606041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.606041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.606041 (E_RNA)
where:
Base-Base interactions energy: -821.972
where: short stacking energy: -436.953
Base-Backbone interact. energy: 1.443
local terms energy: -551.076141
where:
bonds (distance) C4'-P energy: -116.539
bonds (distance) P-C4' energy: -119.017
flat angles C4'-P-C4' energy: -124.906
flat angles P-C4'-P energy: -87.677
tors. eta vs tors. theta energy: -102.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1179.284760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.284760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.284760 (E_RNA)
where:
Base-Base interactions energy: -664.948
where: short stacking energy: -345.934
Base-Backbone interact. energy: -3.060
local terms energy: -511.275807
where:
bonds (distance) C4'-P energy: -131.445
bonds (distance) P-C4' energy: -133.439
flat angles C4'-P-C4' energy: -121.780
flat angles P-C4'-P energy: -61.573
tors. eta vs tors. theta energy: -63.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1066.539919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.539919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.539919 (E_RNA)
where:
Base-Base interactions energy: -606.754
where: short stacking energy: -328.446
Base-Backbone interact. energy: -0.027
local terms energy: -459.759135
where:
bonds (distance) C4'-P energy: -112.919
bonds (distance) P-C4' energy: -124.170
flat angles C4'-P-C4' energy: -107.457
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -46.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -882.560213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.560213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.560213 (E_RNA)
where:
Base-Base interactions energy: -463.081
where: short stacking energy: -242.936
Base-Backbone interact. energy: -1.267
local terms energy: -418.212624
where:
bonds (distance) C4'-P energy: -114.165
bonds (distance) P-C4' energy: -120.638
flat angles C4'-P-C4' energy: -115.803
flat angles P-C4'-P energy: -76.050
tors. eta vs tors. theta energy: 8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -784.134796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.134796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.134796 (E_RNA)
where:
Base-Base interactions energy: -401.209
where: short stacking energy: -204.151
Base-Backbone interact. energy: -4.184
local terms energy: -378.741505
where:
bonds (distance) C4'-P energy: -102.389
bonds (distance) P-C4' energy: -134.612
flat angles C4'-P-C4' energy: -100.396
flat angles P-C4'-P energy: -62.812
tors. eta vs tors. theta energy: 21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -637.561511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.561511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.561511 (E_RNA)
where:
Base-Base interactions energy: -295.243
where: short stacking energy: -180.183
Base-Backbone interact. energy: 7.740
local terms energy: -350.059023
where:
bonds (distance) C4'-P energy: -116.955
bonds (distance) P-C4' energy: -110.704
flat angles C4'-P-C4' energy: -74.725
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: 15.599
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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1821.247231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.247231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.247231 (E_RNA)
where:
Base-Base interactions energy: -1117.478
where: short stacking energy: -607.636
Base-Backbone interact. energy: -1.548
local terms energy: -702.221154
where:
bonds (distance) C4'-P energy: -128.246
bonds (distance) P-C4' energy: -149.984
flat angles C4'-P-C4' energy: -156.591
flat angles P-C4'-P energy: -105.289
tors. eta vs tors. theta energy: -162.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1683.599008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.599008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.599008 (E_RNA)
where:
Base-Base interactions energy: -1021.720
where: short stacking energy: -525.480
Base-Backbone interact. energy: -0.276
local terms energy: -661.602761
where:
bonds (distance) C4'-P energy: -147.374
bonds (distance) P-C4' energy: -140.682
flat angles C4'-P-C4' energy: -147.042
flat angles P-C4'-P energy: -83.385
tors. eta vs tors. theta energy: -143.119
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: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1665.309718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.309718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.309718 (E_RNA)
where:
Base-Base interactions energy: -1028.093
where: short stacking energy: -526.534
Base-Backbone interact. energy: -0.248
local terms energy: -636.968618
where:
bonds (distance) C4'-P energy: -142.784
bonds (distance) P-C4' energy: -136.841
flat angles C4'-P-C4' energy: -132.838
flat angles P-C4'-P energy: -94.197
tors. eta vs tors. theta energy: -130.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1479.048261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.048261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.048261 (E_RNA)
where:
Base-Base interactions energy: -906.498
where: short stacking energy: -457.878
Base-Backbone interact. energy: -1.365
local terms energy: -571.184706
where:
bonds (distance) C4'-P energy: -113.313
bonds (distance) P-C4' energy: -140.328
flat angles C4'-P-C4' energy: -128.725
flat angles P-C4'-P energy: -83.461
tors. eta vs tors. theta energy: -105.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1287.067242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.067242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.067242 (E_RNA)
where:
Base-Base interactions energy: -712.478
where: short stacking energy: -403.465
Base-Backbone interact. energy: 1.479
local terms energy: -576.067991
where:
bonds (distance) C4'-P energy: -132.751
bonds (distance) P-C4' energy: -126.944
flat angles C4'-P-C4' energy: -146.540
flat angles P-C4'-P energy: -80.667
tors. eta vs tors. theta energy: -89.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1151.738453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.738453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.738453 (E_RNA)
where:
Base-Base interactions energy: -675.450
where: short stacking energy: -357.230
Base-Backbone interact. energy: -3.216
local terms energy: -473.072846
where:
bonds (distance) C4'-P energy: -111.973
bonds (distance) P-C4' energy: -136.920
flat angles C4'-P-C4' energy: -113.372
flat angles P-C4'-P energy: -62.455
tors. eta vs tors. theta energy: -48.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1099.777594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.777594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.777594 (E_RNA)
where:
Base-Base interactions energy: -598.115
where: short stacking energy: -303.700
Base-Backbone interact. energy: -2.903
local terms energy: -498.760174
where:
bonds (distance) C4'-P energy: -127.214
bonds (distance) P-C4' energy: -132.141
flat angles C4'-P-C4' energy: -127.198
flat angles P-C4'-P energy: -79.075
tors. eta vs tors. theta energy: -33.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -938.545587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.545587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.545587 (E_RNA)
where:
Base-Base interactions energy: -500.859
where: short stacking energy: -256.763
Base-Backbone interact. energy: 1.435
local terms energy: -439.121921
where:
bonds (distance) C4'-P energy: -130.272
bonds (distance) P-C4' energy: -119.427
flat angles C4'-P-C4' energy: -110.282
flat angles P-C4'-P energy: -56.949
tors. eta vs tors. theta energy: -22.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -796.211528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.211528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.211528 (E_RNA)
where:
Base-Base interactions energy: -380.299
where: short stacking energy: -225.083
Base-Backbone interact. energy: 1.623
local terms energy: -417.535498
where:
bonds (distance) C4'-P energy: -110.874
bonds (distance) P-C4' energy: -130.352
flat angles C4'-P-C4' energy: -107.597
flat angles P-C4'-P energy: -72.344
tors. eta vs tors. theta energy: 3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -670.922000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.922000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.922000 (E_RNA)
where:
Base-Base interactions energy: -293.616
where: short stacking energy: -193.188
Base-Backbone interact. energy: 4.351
local terms energy: -381.656488
where:
bonds (distance) C4'-P energy: -125.753
bonds (distance) P-C4' energy: -100.293
flat angles C4'-P-C4' energy: -85.965
flat angles P-C4'-P energy: -67.887
tors. eta vs tors. theta energy: -1.759
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: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1783.390994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.390994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.390994 (E_RNA)
where:
Base-Base interactions energy: -1102.299
where: short stacking energy: -599.770
Base-Backbone interact. energy: 0.938
local terms energy: -682.030815
where:
bonds (distance) C4'-P energy: -133.071
bonds (distance) P-C4' energy: -140.023
flat angles C4'-P-C4' energy: -157.010
flat angles P-C4'-P energy: -91.787
tors. eta vs tors. theta energy: -160.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1705.553230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.553230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.553230 (E_RNA)
where:
Base-Base interactions energy: -1037.982
where: short stacking energy: -553.524
Base-Backbone interact. energy: -1.134
local terms energy: -666.437800
where:
bonds (distance) C4'-P energy: -137.002
bonds (distance) P-C4' energy: -139.097
flat angles C4'-P-C4' energy: -136.761
flat angles P-C4'-P energy: -97.292
tors. eta vs tors. theta energy: -156.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1659.485891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.485891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.485891 (E_RNA)
where:
Base-Base interactions energy: -1007.254
where: short stacking energy: -545.119
Base-Backbone interact. energy: -0.925
local terms energy: -651.307311
where:
bonds (distance) C4'-P energy: -125.027
bonds (distance) P-C4' energy: -130.276
flat angles C4'-P-C4' energy: -138.846
flat angles P-C4'-P energy: -106.853
tors. eta vs tors. theta energy: -150.306
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: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1543.680512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.680512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.680512 (E_RNA)
where:
Base-Base interactions energy: -961.376
where: short stacking energy: -451.963
Base-Backbone interact. energy: -3.227
local terms energy: -579.077879
where:
bonds (distance) C4'-P energy: -127.559
bonds (distance) P-C4' energy: -138.945
flat angles C4'-P-C4' energy: -129.537
flat angles P-C4'-P energy: -71.806
tors. eta vs tors. theta energy: -111.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1250.266813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.266813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.266813 (E_RNA)
where:
Base-Base interactions energy: -723.931
where: short stacking energy: -413.049
Base-Backbone interact. energy: -0.001
local terms energy: -526.334001
where:
bonds (distance) C4'-P energy: -130.918
bonds (distance) P-C4' energy: -115.118
flat angles C4'-P-C4' energy: -133.391
flat angles P-C4'-P energy: -75.507
tors. eta vs tors. theta energy: -71.400
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: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1119.324537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.324537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.324537 (E_RNA)
where:
Base-Base interactions energy: -589.569
where: short stacking energy: -337.585
Base-Backbone interact. energy: -3.400
local terms energy: -526.355760
where:
bonds (distance) C4'-P energy: -133.519
bonds (distance) P-C4' energy: -146.141
flat angles C4'-P-C4' energy: -132.187
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -40.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1151.175212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.175212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.175212 (E_RNA)
where:
Base-Base interactions energy: -669.309
where: short stacking energy: -356.669
Base-Backbone interact. energy: 2.713
local terms energy: -484.579004
where:
bonds (distance) C4'-P energy: -114.095
bonds (distance) P-C4' energy: -119.549
flat angles C4'-P-C4' energy: -127.324
flat angles P-C4'-P energy: -65.706
tors. eta vs tors. theta energy: -57.904
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1020.005038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.005038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.005038 (E_RNA)
where:
Base-Base interactions energy: -583.647
where: short stacking energy: -296.041
Base-Backbone interact. energy: -0.074
local terms energy: -436.284652
where:
bonds (distance) C4'-P energy: -115.039
bonds (distance) P-C4' energy: -132.280
flat angles C4'-P-C4' energy: -128.418
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -909.151860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.151860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.151860 (E_RNA)
where:
Base-Base interactions energy: -506.204
where: short stacking energy: -271.223
Base-Backbone interact. energy: -1.193
local terms energy: -401.754975
where:
bonds (distance) C4'-P energy: -109.484
bonds (distance) P-C4' energy: -112.425
flat angles C4'-P-C4' energy: -83.520
flat angles P-C4'-P energy: -73.026
tors. eta vs tors. theta energy: -23.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -752.291222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.291222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.291222 (E_RNA)
where:
Base-Base interactions energy: -371.118
where: short stacking energy: -213.148
Base-Backbone interact. energy: 8.287
local terms energy: -389.460056
where:
bonds (distance) C4'-P energy: -104.921
bonds (distance) P-C4' energy: -127.888
flat angles C4'-P-C4' energy: -97.501
flat angles P-C4'-P energy: -58.516
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1829.543767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.543767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.543767 (E_RNA)
where:
Base-Base interactions energy: -1109.287
where: short stacking energy: -594.170
Base-Backbone interact. energy: 0.498
local terms energy: -720.754939
where:
bonds (distance) C4'-P energy: -137.094
bonds (distance) P-C4' energy: -157.589
flat angles C4'-P-C4' energy: -155.289
flat angles P-C4'-P energy: -100.554
tors. eta vs tors. theta energy: -170.228
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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1701.668688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.668688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.668688 (E_RNA)
where:
Base-Base interactions energy: -1017.240
where: short stacking energy: -542.848
Base-Backbone interact. energy: -2.786
local terms energy: -681.642319
where:
bonds (distance) C4'-P energy: -134.169
bonds (distance) P-C4' energy: -150.617
flat angles C4'-P-C4' energy: -153.629
flat angles P-C4'-P energy: -102.123
tors. eta vs tors. theta energy: -141.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1702.190671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.190671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.190671 (E_RNA)
where:
Base-Base interactions energy: -1060.196
where: short stacking energy: -563.945
Base-Backbone interact. energy: -1.296
local terms energy: -640.698899
where:
bonds (distance) C4'-P energy: -115.003
bonds (distance) P-C4' energy: -124.974
flat angles C4'-P-C4' energy: -153.985
flat angles P-C4'-P energy: -98.411
tors. eta vs tors. theta energy: -148.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1587.841409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.841409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.841409 (E_RNA)
where:
Base-Base interactions energy: -994.484
where: short stacking energy: -471.314
Base-Backbone interact. energy: 3.215
local terms energy: -596.572884
where:
bonds (distance) C4'-P energy: -138.056
bonds (distance) P-C4' energy: -115.520
flat angles C4'-P-C4' energy: -149.878
flat angles P-C4'-P energy: -93.695
tors. eta vs tors. theta energy: -99.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1262.756696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.756696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.756696 (E_RNA)
where:
Base-Base interactions energy: -747.002
where: short stacking energy: -411.764
Base-Backbone interact. energy: -1.542
local terms energy: -514.212564
where:
bonds (distance) C4'-P energy: -104.514
bonds (distance) P-C4' energy: -130.464
flat angles C4'-P-C4' energy: -123.632
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -82.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1277.657291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.657291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.657291 (E_RNA)
where:
Base-Base interactions energy: -756.080
where: short stacking energy: -374.121
Base-Backbone interact. energy: 0.196
local terms energy: -521.773860
where:
bonds (distance) C4'-P energy: -111.754
bonds (distance) P-C4' energy: -130.773
flat angles C4'-P-C4' energy: -132.401
flat angles P-C4'-P energy: -68.550
tors. eta vs tors. theta energy: -78.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -986.620765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.620765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.620765 (E_RNA)
where:
Base-Base interactions energy: -534.950
where: short stacking energy: -313.905
Base-Backbone interact. energy: 2.011
local terms energy: -453.682339
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -133.237
flat angles C4'-P-C4' energy: -98.146
flat angles P-C4'-P energy: -73.202
tors. eta vs tors. theta energy: -30.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -987.387401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.387401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.387401 (E_RNA)
where:
Base-Base interactions energy: -559.882
where: short stacking energy: -321.916
Base-Backbone interact. energy: -0.475
local terms energy: -427.030471
where:
bonds (distance) C4'-P energy: -91.633
bonds (distance) P-C4' energy: -122.326
flat angles C4'-P-C4' energy: -116.371
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -36.556
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: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -921.653975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.653975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.653975 (E_RNA)
where:
Base-Base interactions energy: -497.012
where: short stacking energy: -274.340
Base-Backbone interact. energy: -2.601
local terms energy: -422.041793
where:
bonds (distance) C4'-P energy: -111.147
bonds (distance) P-C4' energy: -126.562
flat angles C4'-P-C4' energy: -109.395
flat angles P-C4'-P energy: -58.209
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -735.205054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.205054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.205054 (E_RNA)
where:
Base-Base interactions energy: -355.124
where: short stacking energy: -205.210
Base-Backbone interact. energy: -5.473
local terms energy: -374.607600
where:
bonds (distance) C4'-P energy: -128.666
bonds (distance) P-C4' energy: -115.171
flat angles C4'-P-C4' energy: -89.655
flat angles P-C4'-P energy: -53.584
tors. eta vs tors. theta energy: 12.468
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: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1864.149644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.149644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.149644 (E_RNA)
where:
Base-Base interactions energy: -1161.984
where: short stacking energy: -618.009
Base-Backbone interact. energy: -4.982
local terms energy: -697.183306
where:
bonds (distance) C4'-P energy: -141.867
bonds (distance) P-C4' energy: -134.581
flat angles C4'-P-C4' energy: -167.550
flat angles P-C4'-P energy: -90.297
tors. eta vs tors. theta energy: -162.888
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1736.723218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.723218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.723218 (E_RNA)
where:
Base-Base interactions energy: -1062.842
where: short stacking energy: -549.614
Base-Backbone interact. energy: -3.789
local terms energy: -670.092227
where:
bonds (distance) C4'-P energy: -144.771
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -151.136
flat angles P-C4'-P energy: -114.608
tors. eta vs tors. theta energy: -132.556
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: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1703.817791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.817791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.817791 (E_RNA)
where:
Base-Base interactions energy: -1059.673
where: short stacking energy: -544.733
Base-Backbone interact. energy: -0.078
local terms energy: -644.065994
where:
bonds (distance) C4'-P energy: -126.291
bonds (distance) P-C4' energy: -126.327
flat angles C4'-P-C4' energy: -143.439
flat angles P-C4'-P energy: -97.505
tors. eta vs tors. theta energy: -150.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1576.534454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.534454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.534454 (E_RNA)
where:
Base-Base interactions energy: -970.088
where: short stacking energy: -471.623
Base-Backbone interact. energy: -2.504
local terms energy: -603.942346
where:
bonds (distance) C4'-P energy: -121.031
bonds (distance) P-C4' energy: -134.397
flat angles C4'-P-C4' energy: -144.521
flat angles P-C4'-P energy: -78.659
tors. eta vs tors. theta energy: -125.333
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: 20
Temperature: 1.100000
Total energy: -1468.974404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.974404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.974404 (E_RNA)
where:
Base-Base interactions energy: -933.619
where: short stacking energy: -496.044
Base-Backbone interact. energy: 2.087
local terms energy: -537.442177
where:
bonds (distance) C4'-P energy: -100.500
bonds (distance) P-C4' energy: -112.889
flat angles C4'-P-C4' energy: -136.868
flat angles P-C4'-P energy: -86.746
tors. eta vs tors. theta energy: -100.440
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: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1177.851636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.851636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.851636 (E_RNA)
where:
Base-Base interactions energy: -668.379
where: short stacking energy: -380.829
Base-Backbone interact. energy: 5.562
local terms energy: -515.034182
where:
bonds (distance) C4'-P energy: -142.443
bonds (distance) P-C4' energy: -113.059
flat angles C4'-P-C4' energy: -140.030
flat angles P-C4'-P energy: -55.890
tors. eta vs tors. theta energy: -63.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1019.967171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.967171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.967171 (E_RNA)
where:
Base-Base interactions energy: -563.367
where: short stacking energy: -306.351
Base-Backbone interact. energy: 0.520
local terms energy: -457.120481
where:
bonds (distance) C4'-P energy: -107.553
bonds (distance) P-C4' energy: -127.963
flat angles C4'-P-C4' energy: -113.017
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -35.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1001.239660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.239660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.239660 (E_RNA)
where:
Base-Base interactions energy: -562.951
where: short stacking energy: -272.507
Base-Backbone interact. energy: -3.618
local terms energy: -434.670611
where:
bonds (distance) C4'-P energy: -109.049
bonds (distance) P-C4' energy: -121.952
flat angles C4'-P-C4' energy: -107.798
flat angles P-C4'-P energy: -63.601
tors. eta vs tors. theta energy: -32.271
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: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -940.043665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.043665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.043665 (E_RNA)
where:
Base-Base interactions energy: -489.914
where: short stacking energy: -235.229
Base-Backbone interact. energy: -0.113
local terms energy: -450.016588
where:
bonds (distance) C4'-P energy: -120.729
bonds (distance) P-C4' energy: -126.567
flat angles C4'-P-C4' energy: -111.999
flat angles P-C4'-P energy: -72.532
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -736.256186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.256186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.256186 (E_RNA)
where:
Base-Base interactions energy: -319.076
where: short stacking energy: -189.362
Base-Backbone interact. energy: 7.939
local terms energy: -425.119283
where:
bonds (distance) C4'-P energy: -116.208
bonds (distance) P-C4' energy: -128.112
flat angles C4'-P-C4' energy: -126.110
flat angles P-C4'-P energy: -61.479
tors. eta vs tors. theta energy: 6.790
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: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1890.051659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.051659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.051659 (E_RNA)
where:
Base-Base interactions energy: -1184.682
where: short stacking energy: -641.312
Base-Backbone interact. energy: -4.719
local terms energy: -700.650072
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -132.600
flat angles C4'-P-C4' energy: -168.780
flat angles P-C4'-P energy: -99.311
tors. eta vs tors. theta energy: -175.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1892.898472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.898472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.898472 (E_RNA)
where:
Base-Base interactions energy: -1230.696
where: short stacking energy: -589.224
Base-Backbone interact. energy: -3.344
local terms energy: -658.858833
where:
bonds (distance) C4'-P energy: -137.019
bonds (distance) P-C4' energy: -138.600
flat angles C4'-P-C4' energy: -153.377
flat angles P-C4'-P energy: -71.054
tors. eta vs tors. theta energy: -158.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1687.794187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.794187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.794187 (E_RNA)
where:
Base-Base interactions energy: -1072.797
where: short stacking energy: -553.554
Base-Backbone interact. energy: -0.620
local terms energy: -614.378111
where:
bonds (distance) C4'-P energy: -131.681
bonds (distance) P-C4' energy: -121.544
flat angles C4'-P-C4' energy: -146.523
flat angles P-C4'-P energy: -76.015
tors. eta vs tors. theta energy: -138.616
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: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1576.209104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.209104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.209104 (E_RNA)
where:
Base-Base interactions energy: -969.834
where: short stacking energy: -476.596
Base-Backbone interact. energy: -3.035
local terms energy: -603.339744
where:
bonds (distance) C4'-P energy: -128.479
bonds (distance) P-C4' energy: -133.412
flat angles C4'-P-C4' energy: -135.327
flat angles P-C4'-P energy: -83.878
tors. eta vs tors. theta energy: -122.244
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1478.181914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.181914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.181914 (E_RNA)
where:
Base-Base interactions energy: -893.896
where: short stacking energy: -450.488
Base-Backbone interact. energy: -2.494
local terms energy: -581.791556
where:
bonds (distance) C4'-P energy: -129.910
bonds (distance) P-C4' energy: -138.926
flat angles C4'-P-C4' energy: -128.309
flat angles P-C4'-P energy: -79.727
tors. eta vs tors. theta energy: -104.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1198.517796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.517796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.517796 (E_RNA)
where:
Base-Base interactions energy: -672.368
where: short stacking energy: -373.588
Base-Backbone interact. energy: -1.127
local terms energy: -525.022038
where:
bonds (distance) C4'-P energy: -124.486
bonds (distance) P-C4' energy: -117.654
flat angles C4'-P-C4' energy: -139.748
flat angles P-C4'-P energy: -69.752
tors. eta vs tors. theta energy: -73.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1064.958502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.958502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.958502 (E_RNA)
where:
Base-Base interactions energy: -570.378
where: short stacking energy: -316.732
Base-Backbone interact. energy: -0.462
local terms energy: -494.119150
where:
bonds (distance) C4'-P energy: -133.022
bonds (distance) P-C4' energy: -128.523
flat angles C4'-P-C4' energy: -103.515
flat angles P-C4'-P energy: -69.912
tors. eta vs tors. theta energy: -59.147
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: 21
Temperature: 1.250000
Total energy: -912.594894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.594894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.594894 (E_RNA)
where:
Base-Base interactions energy: -475.456
where: short stacking energy: -266.765
Base-Backbone interact. energy: -2.536
local terms energy: -434.602269
where:
bonds (distance) C4'-P energy: -118.592
bonds (distance) P-C4' energy: -105.033
flat angles C4'-P-C4' energy: -129.749
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: -16.591
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: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -926.332335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.332335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.332335 (E_RNA)
where:
Base-Base interactions energy: -504.989
where: short stacking energy: -263.397
Base-Backbone interact. energy: -3.330
local terms energy: -418.013403
where:
bonds (distance) C4'-P energy: -114.399
bonds (distance) P-C4' energy: -104.448
flat angles C4'-P-C4' energy: -112.470
flat angles P-C4'-P energy: -79.026
tors. eta vs tors. theta energy: -7.671
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: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -737.210709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.210709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.210709 (E_RNA)
where:
Base-Base interactions energy: -315.193
where: short stacking energy: -197.445
Base-Backbone interact. energy: 0.499
local terms energy: -422.516833
where:
bonds (distance) C4'-P energy: -120.763
bonds (distance) P-C4' energy: -127.835
flat angles C4'-P-C4' energy: -109.375
flat angles P-C4'-P energy: -60.741
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2041.522224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.522224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.522224 (E_RNA)
where:
Base-Base interactions energy: -1343.689
where: short stacking energy: -637.924
Base-Backbone interact. energy: -1.742
local terms energy: -696.091958
where:
bonds (distance) C4'-P energy: -136.985
bonds (distance) P-C4' energy: -134.227
flat angles C4'-P-C4' energy: -158.381
flat angles P-C4'-P energy: -98.076
tors. eta vs tors. theta energy: -168.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1816.130628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.130628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.130628 (E_RNA)
where:
Base-Base interactions energy: -1131.599
where: short stacking energy: -577.707
Base-Backbone interact. energy: 0.067
local terms energy: -684.598691
where:
bonds (distance) C4'-P energy: -132.192
bonds (distance) P-C4' energy: -140.410
flat angles C4'-P-C4' energy: -160.787
flat angles P-C4'-P energy: -94.525
tors. eta vs tors. theta energy: -156.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1688.397819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.397819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.397819 (E_RNA)
where:
Base-Base interactions energy: -1063.001
where: short stacking energy: -508.228
Base-Backbone interact. energy: -1.328
local terms energy: -624.068487
where:
bonds (distance) C4'-P energy: -134.023
bonds (distance) P-C4' energy: -134.021
flat angles C4'-P-C4' energy: -146.693
flat angles P-C4'-P energy: -81.439
tors. eta vs tors. theta energy: -127.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1590.174246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.174246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.174246 (E_RNA)
where:
Base-Base interactions energy: -1012.014
where: short stacking energy: -501.696
Base-Backbone interact. energy: 1.960
local terms energy: -580.120801
where:
bonds (distance) C4'-P energy: -110.196
bonds (distance) P-C4' energy: -127.856
flat angles C4'-P-C4' energy: -142.306
flat angles P-C4'-P energy: -86.033
tors. eta vs tors. theta energy: -113.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1474.568206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.568206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.568206 (E_RNA)
where:
Base-Base interactions energy: -896.512
where: short stacking energy: -461.871
Base-Backbone interact. energy: 0.933
local terms energy: -578.989309
where:
bonds (distance) C4'-P energy: -132.001
bonds (distance) P-C4' energy: -125.693
flat angles C4'-P-C4' energy: -142.738
flat angles P-C4'-P energy: -76.210
tors. eta vs tors. theta energy: -102.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1245.333222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.333222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.333222 (E_RNA)
where:
Base-Base interactions energy: -694.586
where: short stacking energy: -379.106
Base-Backbone interact. energy: 2.209
local terms energy: -552.955580
where:
bonds (distance) C4'-P energy: -123.633
bonds (distance) P-C4' energy: -147.386
flat angles C4'-P-C4' energy: -131.265
flat angles P-C4'-P energy: -79.765
tors. eta vs tors. theta energy: -70.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1105.837718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.837718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.837718 (E_RNA)
where:
Base-Base interactions energy: -594.686
where: short stacking energy: -323.372
Base-Backbone interact. energy: -2.243
local terms energy: -508.909229
where:
bonds (distance) C4'-P energy: -112.855
bonds (distance) P-C4' energy: -120.376
flat angles C4'-P-C4' energy: -124.898
flat angles P-C4'-P energy: -93.873
tors. eta vs tors. theta energy: -56.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -917.372364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.372364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.372364 (E_RNA)
where:
Base-Base interactions energy: -483.617
where: short stacking energy: -277.167
Base-Backbone interact. energy: 0.570
local terms energy: -434.325409
where:
bonds (distance) C4'-P energy: -122.302
bonds (distance) P-C4' energy: -133.305
flat angles C4'-P-C4' energy: -102.358
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -895.024908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.024908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.024908 (E_RNA)
where:
Base-Base interactions energy: -469.305
where: short stacking energy: -218.827
Base-Backbone interact. energy: -0.280
local terms energy: -425.440057
where:
bonds (distance) C4'-P energy: -113.699
bonds (distance) P-C4' energy: -133.265
flat angles C4'-P-C4' energy: -106.943
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -8.746
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: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -753.030879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.030879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.030879 (E_RNA)
where:
Base-Base interactions energy: -363.185
where: short stacking energy: -221.081
Base-Backbone interact. energy: 0.380
local terms energy: -390.225776
where:
bonds (distance) C4'-P energy: -104.216
bonds (distance) P-C4' energy: -117.165
flat angles C4'-P-C4' energy: -99.034
flat angles P-C4'-P energy: -65.336
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2088.599955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.599955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.599955 (E_RNA)
where:
Base-Base interactions energy: -1377.633
where: short stacking energy: -605.682
Base-Backbone interact. energy: -2.615
local terms energy: -708.352380
where:
bonds (distance) C4'-P energy: -140.570
bonds (distance) P-C4' energy: -146.207
flat angles C4'-P-C4' energy: -159.261
flat angles P-C4'-P energy: -95.292
tors. eta vs tors. theta energy: -167.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1772.369449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.369449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.369449 (E_RNA)
where:
Base-Base interactions energy: -1095.791
where: short stacking energy: -573.025
Base-Backbone interact. energy: -3.609
local terms energy: -672.968810
where:
bonds (distance) C4'-P energy: -137.400
bonds (distance) P-C4' energy: -150.803
flat angles C4'-P-C4' energy: -154.154
flat angles P-C4'-P energy: -81.825
tors. eta vs tors. theta energy: -148.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1603.877505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.877505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.877505 (E_RNA)
where:
Base-Base interactions energy: -973.993
where: short stacking energy: -495.047
Base-Backbone interact. energy: -1.798
local terms energy: -628.086639
where:
bonds (distance) C4'-P energy: -138.815
bonds (distance) P-C4' energy: -140.097
flat angles C4'-P-C4' energy: -145.320
flat angles P-C4'-P energy: -80.770
tors. eta vs tors. theta energy: -123.085
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: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1583.681978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.681978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.681978 (E_RNA)
where:
Base-Base interactions energy: -982.256
where: short stacking energy: -501.841
Base-Backbone interact. energy: 0.242
local terms energy: -601.667611
where:
bonds (distance) C4'-P energy: -111.512
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -138.615
flat angles P-C4'-P energy: -100.186
tors. eta vs tors. theta energy: -125.121
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1503.211396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.211396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.211396 (E_RNA)
where:
Base-Base interactions energy: -899.550
where: short stacking energy: -458.833
Base-Backbone interact. energy: -2.281
local terms energy: -601.381039
where:
bonds (distance) C4'-P energy: -119.553
bonds (distance) P-C4' energy: -136.732
flat angles C4'-P-C4' energy: -139.242
flat angles P-C4'-P energy: -94.432
tors. eta vs tors. theta energy: -111.423
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: 23
Temperature: 1.150000
Total energy: -1248.272802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.272802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.272802 (E_RNA)
where:
Base-Base interactions energy: -750.692
where: short stacking energy: -370.694
Base-Backbone interact. energy: 1.896
local terms energy: -499.476915
where:
bonds (distance) C4'-P energy: -106.536
bonds (distance) P-C4' energy: -134.545
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -84.275
tors. eta vs tors. theta energy: -50.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1134.117100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.117100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.117100 (E_RNA)
where:
Base-Base interactions energy: -636.523
where: short stacking energy: -335.021
Base-Backbone interact. energy: -1.149
local terms energy: -496.445410
where:
bonds (distance) C4'-P energy: -129.321
bonds (distance) P-C4' energy: -119.110
flat angles C4'-P-C4' energy: -109.186
flat angles P-C4'-P energy: -84.880
tors. eta vs tors. theta energy: -53.948
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1069.475445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.475445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.475445 (E_RNA)
where:
Base-Base interactions energy: -607.935
where: short stacking energy: -305.659
Base-Backbone interact. energy: -1.786
local terms energy: -459.753843
where:
bonds (distance) C4'-P energy: -113.393
bonds (distance) P-C4' energy: -108.011
flat angles C4'-P-C4' energy: -106.402
flat angles P-C4'-P energy: -82.865
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -889.638669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.638669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.638669 (E_RNA)
where:
Base-Base interactions energy: -484.280
where: short stacking energy: -264.730
Base-Backbone interact. energy: 3.024
local terms energy: -408.383178
where:
bonds (distance) C4'-P energy: -109.190
bonds (distance) P-C4' energy: -119.095
flat angles C4'-P-C4' energy: -110.192
flat angles P-C4'-P energy: -49.729
tors. eta vs tors. theta energy: -20.178
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: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -728.564454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.564454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.564454 (E_RNA)
where:
Base-Base interactions energy: -345.965
where: short stacking energy: -201.524
Base-Backbone interact. energy: 5.809
local terms energy: -388.408500
where:
bonds (distance) C4'-P energy: -118.430
bonds (distance) P-C4' energy: -119.468
flat angles C4'-P-C4' energy: -89.670
flat angles P-C4'-P energy: -68.143
tors. eta vs tors. theta energy: 7.302
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2086.829291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.829291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.829291 (E_RNA)
where:
Base-Base interactions energy: -1379.539
where: short stacking energy: -654.456
Base-Backbone interact. energy: -0.858
local terms energy: -706.432558
where:
bonds (distance) C4'-P energy: -145.611
bonds (distance) P-C4' energy: -155.533
flat angles C4'-P-C4' energy: -159.846
flat angles P-C4'-P energy: -76.697
tors. eta vs tors. theta energy: -168.746
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: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1799.049602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.049602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.049602 (E_RNA)
where:
Base-Base interactions energy: -1154.741
where: short stacking energy: -578.011
Base-Backbone interact. energy: -0.328
local terms energy: -643.981110
where:
bonds (distance) C4'-P energy: -142.275
bonds (distance) P-C4' energy: -131.726
flat angles C4'-P-C4' energy: -143.045
flat angles P-C4'-P energy: -84.877
tors. eta vs tors. theta energy: -142.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1680.450034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.450034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.450034 (E_RNA)
where:
Base-Base interactions energy: -1053.905
where: short stacking energy: -503.889
Base-Backbone interact. energy: -2.781
local terms energy: -623.764296
where:
bonds (distance) C4'-P energy: -137.862
bonds (distance) P-C4' energy: -127.684
flat angles C4'-P-C4' energy: -133.684
flat angles P-C4'-P energy: -87.066
tors. eta vs tors. theta energy: -137.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1673.028284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.028284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.028284 (E_RNA)
where:
Base-Base interactions energy: -1059.948
where: short stacking energy: -520.367
Base-Backbone interact. energy: 1.895
local terms energy: -614.975062
where:
bonds (distance) C4'-P energy: -123.054
bonds (distance) P-C4' energy: -130.816
flat angles C4'-P-C4' energy: -141.471
flat angles P-C4'-P energy: -85.802
tors. eta vs tors. theta energy: -133.832
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: 24
Temperature: 1.100000
Total energy: -1547.396716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.396716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.396716 (E_RNA)
where:
Base-Base interactions energy: -948.814
where: short stacking energy: -472.866
Base-Backbone interact. energy: -3.833
local terms energy: -594.749661
where:
bonds (distance) C4'-P energy: -124.146
bonds (distance) P-C4' energy: -136.403
flat angles C4'-P-C4' energy: -135.151
flat angles P-C4'-P energy: -91.444
tors. eta vs tors. theta energy: -107.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1296.509384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.509384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.509384 (E_RNA)
where:
Base-Base interactions energy: -758.379
where: short stacking energy: -393.048
Base-Backbone interact. energy: -1.480
local terms energy: -536.650105
where:
bonds (distance) C4'-P energy: -122.589
bonds (distance) P-C4' energy: -126.698
flat angles C4'-P-C4' energy: -133.144
flat angles P-C4'-P energy: -82.599
tors. eta vs tors. theta energy: -71.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1176.648421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.648421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.648421 (E_RNA)
where:
Base-Base interactions energy: -671.217
where: short stacking energy: -355.940
Base-Backbone interact. energy: -3.667
local terms energy: -501.764486
where:
bonds (distance) C4'-P energy: -125.844
bonds (distance) P-C4' energy: -133.142
flat angles C4'-P-C4' energy: -130.189
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -47.441
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: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -993.939354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.939354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.939354 (E_RNA)
where:
Base-Base interactions energy: -585.933
where: short stacking energy: -282.654
Base-Backbone interact. energy: 2.341
local terms energy: -410.347362
where:
bonds (distance) C4'-P energy: -112.052
bonds (distance) P-C4' energy: -109.764
flat angles C4'-P-C4' energy: -116.205
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -809.722413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.722413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.722413 (E_RNA)
where:
Base-Base interactions energy: -398.096
where: short stacking energy: -242.553
Base-Backbone interact. energy: 1.291
local terms energy: -412.917279
where:
bonds (distance) C4'-P energy: -95.364
bonds (distance) P-C4' energy: -117.958
flat angles C4'-P-C4' energy: -113.832
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -687.224039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.224039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.224039 (E_RNA)
where:
Base-Base interactions energy: -310.451
where: short stacking energy: -192.347
Base-Backbone interact. energy: 3.940
local terms energy: -380.713308
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -143.557
flat angles C4'-P-C4' energy: -96.667
flat angles P-C4'-P energy: -53.372
tors. eta vs tors. theta energy: 11.602
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: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2089.384450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.384450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.384450 (E_RNA)
where:
Base-Base interactions energy: -1401.096
where: short stacking energy: -641.253
Base-Backbone interact. energy: -4.080
local terms energy: -684.208496
where:
bonds (distance) C4'-P energy: -142.235
bonds (distance) P-C4' energy: -136.919
flat angles C4'-P-C4' energy: -141.904
flat angles P-C4'-P energy: -88.287
tors. eta vs tors. theta energy: -174.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1827.977843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.977843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.977843 (E_RNA)
where:
Base-Base interactions energy: -1111.213
where: short stacking energy: -580.994
Base-Backbone interact. energy: -2.573
local terms energy: -714.191460
where:
bonds (distance) C4'-P energy: -143.497
bonds (distance) P-C4' energy: -148.057
flat angles C4'-P-C4' energy: -166.567
flat angles P-C4'-P energy: -98.352
tors. eta vs tors. theta energy: -157.718
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: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1668.601897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.601897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.601897 (E_RNA)
where:
Base-Base interactions energy: -1027.670
where: short stacking energy: -544.665
Base-Backbone interact. energy: -4.169
local terms energy: -636.763528
where:
bonds (distance) C4'-P energy: -132.057
bonds (distance) P-C4' energy: -135.857
flat angles C4'-P-C4' energy: -136.474
flat angles P-C4'-P energy: -85.973
tors. eta vs tors. theta energy: -146.403
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1626.879942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.879942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.879942 (E_RNA)
where:
Base-Base interactions energy: -964.458
where: short stacking energy: -497.314
Base-Backbone interact. energy: -1.272
local terms energy: -661.150523
where:
bonds (distance) C4'-P energy: -132.682
bonds (distance) P-C4' energy: -145.953
flat angles C4'-P-C4' energy: -155.494
flat angles P-C4'-P energy: -89.071
tors. eta vs tors. theta energy: -137.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1596.489802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.489802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.489802 (E_RNA)
where:
Base-Base interactions energy: -1039.125
where: short stacking energy: -475.626
Base-Backbone interact. energy: -3.921
local terms energy: -553.443184
where:
bonds (distance) C4'-P energy: -120.629
bonds (distance) P-C4' energy: -116.423
flat angles C4'-P-C4' energy: -126.493
flat angles P-C4'-P energy: -87.213
tors. eta vs tors. theta energy: -102.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1336.125261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.125261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.125261 (E_RNA)
where:
Base-Base interactions energy: -847.712
where: short stacking energy: -393.675
Base-Backbone interact. energy: 0.165
local terms energy: -488.578132
where:
bonds (distance) C4'-P energy: -126.099
bonds (distance) P-C4' energy: -131.134
flat angles C4'-P-C4' energy: -105.023
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -68.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1236.207737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.207737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.207737 (E_RNA)
where:
Base-Base interactions energy: -724.460
where: short stacking energy: -360.628
Base-Backbone interact. energy: 0.423
local terms energy: -512.170457
where:
bonds (distance) C4'-P energy: -118.030
bonds (distance) P-C4' energy: -122.501
flat angles C4'-P-C4' energy: -122.668
flat angles P-C4'-P energy: -86.583
tors. eta vs tors. theta energy: -62.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -990.722963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.722963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.722963 (E_RNA)
where:
Base-Base interactions energy: -567.032
where: short stacking energy: -301.492
Base-Backbone interact. energy: -4.020
local terms energy: -419.671405
where:
bonds (distance) C4'-P energy: -106.777
bonds (distance) P-C4' energy: -113.222
flat angles C4'-P-C4' energy: -104.619
flat angles P-C4'-P energy: -86.925
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -785.459579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.459579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.459579 (E_RNA)
where:
Base-Base interactions energy: -363.448
where: short stacking energy: -217.648
Base-Backbone interact. energy: 0.447
local terms energy: -422.458209
where:
bonds (distance) C4'-P energy: -101.629
bonds (distance) P-C4' energy: -120.542
flat angles C4'-P-C4' energy: -127.985
flat angles P-C4'-P energy: -61.044
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -781.647859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.647859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.647859 (E_RNA)
where:
Base-Base interactions energy: -424.860
where: short stacking energy: -257.922
Base-Backbone interact. energy: -3.318
local terms energy: -353.470683
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -107.948
flat angles C4'-P-C4' energy: -83.641
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -16.862
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: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2130.545525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.545525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.545525 (E_RNA)
where:
Base-Base interactions energy: -1391.891
where: short stacking energy: -667.327
Base-Backbone interact. energy: -2.446
local terms energy: -736.208670
where:
bonds (distance) C4'-P energy: -140.787
bonds (distance) P-C4' energy: -142.434
flat angles C4'-P-C4' energy: -162.682
flat angles P-C4'-P energy: -98.631
tors. eta vs tors. theta energy: -191.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1842.130611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.130611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.130611 (E_RNA)
where:
Base-Base interactions energy: -1146.785
where: short stacking energy: -565.860
Base-Backbone interact. energy: 2.368
local terms energy: -697.714168
where:
bonds (distance) C4'-P energy: -135.145
bonds (distance) P-C4' energy: -156.927
flat angles C4'-P-C4' energy: -148.929
flat angles P-C4'-P energy: -104.451
tors. eta vs tors. theta energy: -152.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1650.411504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.411504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.411504 (E_RNA)
where:
Base-Base interactions energy: -1045.735
where: short stacking energy: -519.685
Base-Backbone interact. energy: -2.120
local terms energy: -602.556652
where:
bonds (distance) C4'-P energy: -136.018
bonds (distance) P-C4' energy: -138.807
flat angles C4'-P-C4' energy: -137.515
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -108.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1673.491569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.491569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.491569 (E_RNA)
where:
Base-Base interactions energy: -1064.494
where: short stacking energy: -533.572
Base-Backbone interact. energy: 0.694
local terms energy: -609.691716
where:
bonds (distance) C4'-P energy: -111.054
bonds (distance) P-C4' energy: -147.092
flat angles C4'-P-C4' energy: -128.005
flat angles P-C4'-P energy: -89.040
tors. eta vs tors. theta energy: -134.501
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: 26
Temperature: 1.100000
Total energy: -1582.010505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.010505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.010505 (E_RNA)
where:
Base-Base interactions energy: -992.083
where: short stacking energy: -445.851
Base-Backbone interact. energy: -3.390
local terms energy: -586.537456
where:
bonds (distance) C4'-P energy: -126.713
bonds (distance) P-C4' energy: -125.859
flat angles C4'-P-C4' energy: -136.587
flat angles P-C4'-P energy: -92.687
tors. eta vs tors. theta energy: -104.691
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: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1365.401819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.401819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.401819 (E_RNA)
where:
Base-Base interactions energy: -834.537
where: short stacking energy: -375.894
Base-Backbone interact. energy: -2.832
local terms energy: -528.032716
where:
bonds (distance) C4'-P energy: -109.179
bonds (distance) P-C4' energy: -135.397
flat angles C4'-P-C4' energy: -129.899
flat angles P-C4'-P energy: -82.870
tors. eta vs tors. theta energy: -70.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1218.748235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.748235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.748235 (E_RNA)
where:
Base-Base interactions energy: -720.030
where: short stacking energy: -370.509
Base-Backbone interact. energy: -4.356
local terms energy: -494.362214
where:
bonds (distance) C4'-P energy: -138.900
bonds (distance) P-C4' energy: -136.130
flat angles C4'-P-C4' energy: -112.332
flat angles P-C4'-P energy: -48.445
tors. eta vs tors. theta energy: -58.556
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: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -978.234842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.234842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.234842 (E_RNA)
where:
Base-Base interactions energy: -544.772
where: short stacking energy: -291.190
Base-Backbone interact. energy: -0.928
local terms energy: -432.535439
where:
bonds (distance) C4'-P energy: -111.175
bonds (distance) P-C4' energy: -124.926
flat angles C4'-P-C4' energy: -116.301
flat angles P-C4'-P energy: -55.610
tors. eta vs tors. theta energy: -24.523
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: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -851.076646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.076646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.076646 (E_RNA)
where:
Base-Base interactions energy: -417.881
where: short stacking energy: -239.452
Base-Backbone interact. energy: 0.695
local terms energy: -433.890630
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -116.688
flat angles C4'-P-C4' energy: -115.679
flat angles P-C4'-P energy: -70.532
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -694.354387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.354387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.354387 (E_RNA)
where:
Base-Base interactions energy: -339.074
where: short stacking energy: -201.578
Base-Backbone interact. energy: 2.388
local terms energy: -357.667600
where:
bonds (distance) C4'-P energy: -122.900
bonds (distance) P-C4' energy: -109.146
flat angles C4'-P-C4' energy: -106.986
flat angles P-C4'-P energy: -39.740
tors. eta vs tors. theta energy: 21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2121.932211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.932211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.932211 (E_RNA)
where:
Base-Base interactions energy: -1381.317
where: short stacking energy: -641.500
Base-Backbone interact. energy: -0.971
local terms energy: -739.644396
where:
bonds (distance) C4'-P energy: -146.421
bonds (distance) P-C4' energy: -153.268
flat angles C4'-P-C4' energy: -162.469
flat angles P-C4'-P energy: -106.758
tors. eta vs tors. theta energy: -170.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1919.315936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.315936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.315936 (E_RNA)
where:
Base-Base interactions energy: -1196.007
where: short stacking energy: -613.240
Base-Backbone interact. energy: -2.598
local terms energy: -720.710837
where:
bonds (distance) C4'-P energy: -150.029
bonds (distance) P-C4' energy: -147.482
flat angles C4'-P-C4' energy: -155.900
flat angles P-C4'-P energy: -104.426
tors. eta vs tors. theta energy: -162.874
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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1646.162891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.162891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.162891 (E_RNA)
where:
Base-Base interactions energy: -993.332
where: short stacking energy: -529.916
Base-Backbone interact. energy: 1.552
local terms energy: -654.382751
where:
bonds (distance) C4'-P energy: -124.902
bonds (distance) P-C4' energy: -147.172
flat angles C4'-P-C4' energy: -141.678
flat angles P-C4'-P energy: -97.360
tors. eta vs tors. theta energy: -143.272
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: 27
Temperature: 1.050000
Total energy: -1741.787814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.787814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.787814 (E_RNA)
where:
Base-Base interactions energy: -1088.712
where: short stacking energy: -531.064
Base-Backbone interact. energy: -4.665
local terms energy: -648.411256
where:
bonds (distance) C4'-P energy: -122.766
bonds (distance) P-C4' energy: -138.136
flat angles C4'-P-C4' energy: -156.350
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -139.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1565.378568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.378568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.378568 (E_RNA)
where:
Base-Base interactions energy: -987.879
where: short stacking energy: -460.322
Base-Backbone interact. energy: 2.894
local terms energy: -580.394288
where:
bonds (distance) C4'-P energy: -129.549
bonds (distance) P-C4' energy: -121.491
flat angles C4'-P-C4' energy: -131.485
flat angles P-C4'-P energy: -96.893
tors. eta vs tors. theta energy: -100.977
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: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1420.397395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.397395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.397395 (E_RNA)
where:
Base-Base interactions energy: -879.636
where: short stacking energy: -412.696
Base-Backbone interact. energy: 5.755
local terms energy: -546.516995
where:
bonds (distance) C4'-P energy: -113.351
bonds (distance) P-C4' energy: -122.401
flat angles C4'-P-C4' energy: -143.818
flat angles P-C4'-P energy: -83.893
tors. eta vs tors. theta energy: -83.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1206.511843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.511843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.511843 (E_RNA)
where:
Base-Base interactions energy: -714.215
where: short stacking energy: -362.435
Base-Backbone interact. energy: -1.970
local terms energy: -490.327515
where:
bonds (distance) C4'-P energy: -106.230
bonds (distance) P-C4' energy: -124.056
flat angles C4'-P-C4' energy: -130.204
flat angles P-C4'-P energy: -79.044
tors. eta vs tors. theta energy: -50.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1003.146844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.146844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.146844 (E_RNA)
where:
Base-Base interactions energy: -546.445
where: short stacking energy: -274.573
Base-Backbone interact. energy: -1.769
local terms energy: -454.932095
where:
bonds (distance) C4'-P energy: -95.689
bonds (distance) P-C4' energy: -145.627
flat angles C4'-P-C4' energy: -121.074
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -30.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -869.328350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.328350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.328350 (E_RNA)
where:
Base-Base interactions energy: -466.885
where: short stacking energy: -247.776
Base-Backbone interact. energy: -0.335
local terms energy: -402.108825
where:
bonds (distance) C4'-P energy: -105.489
bonds (distance) P-C4' energy: -116.458
flat angles C4'-P-C4' energy: -103.920
flat angles P-C4'-P energy: -69.337
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -730.061168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.061168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.061168 (E_RNA)
where:
Base-Base interactions energy: -356.749
where: short stacking energy: -217.659
Base-Backbone interact. energy: -1.576
local terms energy: -371.735592
where:
bonds (distance) C4'-P energy: -120.062
bonds (distance) P-C4' energy: -126.449
flat angles C4'-P-C4' energy: -76.640
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: 8.197
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: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2116.520160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.520160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.520160 (E_RNA)
where:
Base-Base interactions energy: -1408.113
where: short stacking energy: -644.573
Base-Backbone interact. energy: -2.875
local terms energy: -705.532288
where:
bonds (distance) C4'-P energy: -142.422
bonds (distance) P-C4' energy: -137.951
flat angles C4'-P-C4' energy: -146.185
flat angles P-C4'-P energy: -93.483
tors. eta vs tors. theta energy: -185.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1902.186066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.186066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.186066 (E_RNA)
where:
Base-Base interactions energy: -1229.721
where: short stacking energy: -599.134
Base-Backbone interact. energy: -4.515
local terms energy: -667.950855
where:
bonds (distance) C4'-P energy: -131.643
bonds (distance) P-C4' energy: -147.758
flat angles C4'-P-C4' energy: -147.166
flat angles P-C4'-P energy: -91.390
tors. eta vs tors. theta energy: -149.993
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: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1821.788798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.788798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.788798 (E_RNA)
where:
Base-Base interactions energy: -1179.615
where: short stacking energy: -556.090
Base-Backbone interact. energy: -1.850
local terms energy: -640.323356
where:
bonds (distance) C4'-P energy: -123.310
bonds (distance) P-C4' energy: -141.465
flat angles C4'-P-C4' energy: -138.958
flat angles P-C4'-P energy: -98.684
tors. eta vs tors. theta energy: -137.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1525.972660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.972660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.972660 (E_RNA)
where:
Base-Base interactions energy: -942.883
where: short stacking energy: -466.752
Base-Backbone interact. energy: -2.078
local terms energy: -581.012172
where:
bonds (distance) C4'-P energy: -131.656
bonds (distance) P-C4' energy: -142.209
flat angles C4'-P-C4' energy: -118.684
flat angles P-C4'-P energy: -79.841
tors. eta vs tors. theta energy: -108.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1568.223020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.223020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.223020 (E_RNA)
where:
Base-Base interactions energy: -970.942
where: short stacking energy: -428.755
Base-Backbone interact. energy: -2.731
local terms energy: -594.549242
where:
bonds (distance) C4'-P energy: -136.100
bonds (distance) P-C4' energy: -135.134
flat angles C4'-P-C4' energy: -133.649
flat angles P-C4'-P energy: -97.228
tors. eta vs tors. theta energy: -92.439
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: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1404.271822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.271822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.271822 (E_RNA)
where:
Base-Base interactions energy: -860.719
where: short stacking energy: -386.010
Base-Backbone interact. energy: -0.467
local terms energy: -543.086246
where:
bonds (distance) C4'-P energy: -128.359
bonds (distance) P-C4' energy: -128.189
flat angles C4'-P-C4' energy: -134.888
flat angles P-C4'-P energy: -73.537
tors. eta vs tors. theta energy: -78.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1212.052364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.052364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.052364 (E_RNA)
where:
Base-Base interactions energy: -700.356
where: short stacking energy: -362.320
Base-Backbone interact. energy: -3.141
local terms energy: -508.555164
where:
bonds (distance) C4'-P energy: -125.143
bonds (distance) P-C4' energy: -129.485
flat angles C4'-P-C4' energy: -131.528
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -44.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -970.479447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.479447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.479447 (E_RNA)
where:
Base-Base interactions energy: -543.016
where: short stacking energy: -302.196
Base-Backbone interact. energy: 1.831
local terms energy: -429.294051
where:
bonds (distance) C4'-P energy: -119.412
bonds (distance) P-C4' energy: -113.715
flat angles C4'-P-C4' energy: -107.499
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -982.307719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.307719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.307719 (E_RNA)
where:
Base-Base interactions energy: -549.348
where: short stacking energy: -277.953
Base-Backbone interact. energy: 2.019
local terms energy: -434.979492
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -104.273
flat angles C4'-P-C4' energy: -121.715
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: -19.331
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: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -720.029145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.029145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.029145 (E_RNA)
where:
Base-Base interactions energy: -336.603
where: short stacking energy: -209.348
Base-Backbone interact. energy: 2.083
local terms energy: -385.509680
where:
bonds (distance) C4'-P energy: -106.927
bonds (distance) P-C4' energy: -119.605
flat angles C4'-P-C4' energy: -109.209
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: 3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2102.911143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.911143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.911143 (E_RNA)
where:
Base-Base interactions energy: -1404.389
where: short stacking energy: -648.427
Base-Backbone interact. energy: -1.784
local terms energy: -696.738176
where:
bonds (distance) C4'-P energy: -142.212
bonds (distance) P-C4' energy: -139.293
flat angles C4'-P-C4' energy: -157.767
flat angles P-C4'-P energy: -87.936
tors. eta vs tors. theta energy: -169.531
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: 29
Temperature: 0.950000
Total energy: -1938.927230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.927230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.927230 (E_RNA)
where:
Base-Base interactions energy: -1242.159
where: short stacking energy: -614.452
Base-Backbone interact. energy: -2.096
local terms energy: -694.672752
where:
bonds (distance) C4'-P energy: -140.355
bonds (distance) P-C4' energy: -150.468
flat angles C4'-P-C4' energy: -144.644
flat angles P-C4'-P energy: -93.514
tors. eta vs tors. theta energy: -165.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1809.110662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.110662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.110662 (E_RNA)
where:
Base-Base interactions energy: -1151.050
where: short stacking energy: -563.867
Base-Backbone interact. energy: -3.294
local terms energy: -654.766716
where:
bonds (distance) C4'-P energy: -135.208
bonds (distance) P-C4' energy: -136.004
flat angles C4'-P-C4' energy: -139.018
flat angles P-C4'-P energy: -99.294
tors. eta vs tors. theta energy: -145.243
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: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1636.135445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.135445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.135445 (E_RNA)
where:
Base-Base interactions energy: -998.566
where: short stacking energy: -496.800
Base-Backbone interact. energy: -0.896
local terms energy: -636.673971
where:
bonds (distance) C4'-P energy: -123.908
bonds (distance) P-C4' energy: -143.740
flat angles C4'-P-C4' energy: -141.197
flat angles P-C4'-P energy: -103.040
tors. eta vs tors. theta energy: -124.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1590.576524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.576524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.576524 (E_RNA)
where:
Base-Base interactions energy: -1010.008
where: short stacking energy: -476.827
Base-Backbone interact. energy: -0.971
local terms energy: -579.597542
where:
bonds (distance) C4'-P energy: -128.724
bonds (distance) P-C4' energy: -119.537
flat angles C4'-P-C4' energy: -121.952
flat angles P-C4'-P energy: -98.161
tors. eta vs tors. theta energy: -111.224
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: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1427.728151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.728151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.728151 (E_RNA)
where:
Base-Base interactions energy: -937.640
where: short stacking energy: -420.101
Base-Backbone interact. energy: -3.131
local terms energy: -486.957276
where:
bonds (distance) C4'-P energy: -118.903
bonds (distance) P-C4' energy: -110.732
flat angles C4'-P-C4' energy: -128.142
flat angles P-C4'-P energy: -66.662
tors. eta vs tors. theta energy: -62.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1210.442219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.442219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.442219 (E_RNA)
where:
Base-Base interactions energy: -729.427
where: short stacking energy: -351.646
Base-Backbone interact. energy: -4.213
local terms energy: -476.802835
where:
bonds (distance) C4'-P energy: -123.570
bonds (distance) P-C4' energy: -118.927
flat angles C4'-P-C4' energy: -116.058
flat angles P-C4'-P energy: -70.430
tors. eta vs tors. theta energy: -47.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -976.119450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.119450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.119450 (E_RNA)
where:
Base-Base interactions energy: -523.288
where: short stacking energy: -295.376
Base-Backbone interact. energy: -1.715
local terms energy: -451.116632
where:
bonds (distance) C4'-P energy: -101.981
bonds (distance) P-C4' energy: -135.581
flat angles C4'-P-C4' energy: -112.700
flat angles P-C4'-P energy: -73.329
tors. eta vs tors. theta energy: -27.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -970.741279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.741279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.741279 (E_RNA)
where:
Base-Base interactions energy: -525.759
where: short stacking energy: -271.034
Base-Backbone interact. energy: 1.857
local terms energy: -446.838531
where:
bonds (distance) C4'-P energy: -128.788
bonds (distance) P-C4' energy: -115.417
flat angles C4'-P-C4' energy: -108.534
flat angles P-C4'-P energy: -61.633
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -801.821867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.821867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.821867 (E_RNA)
where:
Base-Base interactions energy: -405.455
where: short stacking energy: -233.970
Base-Backbone interact. energy: -1.137
local terms energy: -395.229938
where:
bonds (distance) C4'-P energy: -107.706
bonds (distance) P-C4' energy: -107.473
flat angles C4'-P-C4' energy: -89.936
flat angles P-C4'-P energy: -69.416
tors. eta vs tors. theta energy: -20.698
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: 30
Temperature: 0.900000
Total energy: -2120.281883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.281883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.281883 (E_RNA)
where:
Base-Base interactions energy: -1389.808
where: short stacking energy: -637.840
Base-Backbone interact. energy: 2.886
local terms energy: -733.359938
where:
bonds (distance) C4'-P energy: -147.851
bonds (distance) P-C4' energy: -148.160
flat angles C4'-P-C4' energy: -148.838
flat angles P-C4'-P energy: -107.163
tors. eta vs tors. theta energy: -181.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1919.409764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.409764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.409764 (E_RNA)
where:
Base-Base interactions energy: -1227.632
where: short stacking energy: -606.796
Base-Backbone interact. energy: -3.264
local terms energy: -688.514090
where:
bonds (distance) C4'-P energy: -143.651
bonds (distance) P-C4' energy: -132.517
flat angles C4'-P-C4' energy: -153.145
flat angles P-C4'-P energy: -99.914
tors. eta vs tors. theta energy: -159.288
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1797.943667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.943667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.943667 (E_RNA)
where:
Base-Base interactions energy: -1169.701
where: short stacking energy: -541.055
Base-Backbone interact. energy: -3.596
local terms energy: -624.646140
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -126.824
flat angles C4'-P-C4' energy: -152.027
flat angles P-C4'-P energy: -97.596
tors. eta vs tors. theta energy: -126.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1626.289102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.289102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.289102 (E_RNA)
where:
Base-Base interactions energy: -1020.682
where: short stacking energy: -505.851
Base-Backbone interact. energy: -0.854
local terms energy: -604.752477
where:
bonds (distance) C4'-P energy: -125.776
bonds (distance) P-C4' energy: -121.225
flat angles C4'-P-C4' energy: -147.458
flat angles P-C4'-P energy: -88.695
tors. eta vs tors. theta energy: -121.599
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: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1582.088097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.088097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.088097 (E_RNA)
where:
Base-Base interactions energy: -1002.240
where: short stacking energy: -465.663
Base-Backbone interact. energy: -4.128
local terms energy: -575.719740
where:
bonds (distance) C4'-P energy: -120.216
bonds (distance) P-C4' energy: -140.282
flat angles C4'-P-C4' energy: -128.723
flat angles P-C4'-P energy: -84.152
tors. eta vs tors. theta energy: -102.346
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: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1531.918442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.918442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.918442 (E_RNA)
where:
Base-Base interactions energy: -971.533
where: short stacking energy: -459.461
Base-Backbone interact. energy: 1.697
local terms energy: -562.082496
where:
bonds (distance) C4'-P energy: -95.651
bonds (distance) P-C4' energy: -141.023
flat angles C4'-P-C4' energy: -136.574
flat angles P-C4'-P energy: -91.866
tors. eta vs tors. theta energy: -96.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1235.980886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.980886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.980886 (E_RNA)
where:
Base-Base interactions energy: -707.491
where: short stacking energy: -351.853
Base-Backbone interact. energy: -3.494
local terms energy: -524.995177
where:
bonds (distance) C4'-P energy: -123.165
bonds (distance) P-C4' energy: -133.174
flat angles C4'-P-C4' energy: -128.719
flat angles P-C4'-P energy: -73.031
tors. eta vs tors. theta energy: -66.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -983.446632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.446632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.446632 (E_RNA)
where:
Base-Base interactions energy: -562.732
where: short stacking energy: -284.228
Base-Backbone interact. energy: -0.922
local terms energy: -419.792256
where:
bonds (distance) C4'-P energy: -96.838
bonds (distance) P-C4' energy: -116.558
flat angles C4'-P-C4' energy: -94.770
flat angles P-C4'-P energy: -92.229
tors. eta vs tors. theta energy: -19.397
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -957.434460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.434460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.434460 (E_RNA)
where:
Base-Base interactions energy: -516.938
where: short stacking energy: -264.878
Base-Backbone interact. energy: 0.037
local terms energy: -440.533372
where:
bonds (distance) C4'-P energy: -114.269
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -109.928
flat angles P-C4'-P energy: -70.997
tors. eta vs tors. theta energy: -37.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -833.093140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.093140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.093140 (E_RNA)
where:
Base-Base interactions energy: -405.958
where: short stacking energy: -208.232
Base-Backbone interact. energy: -1.885
local terms energy: -425.249547
where:
bonds (distance) C4'-P energy: -140.110
bonds (distance) P-C4' energy: -118.787
flat angles C4'-P-C4' energy: -107.404
flat angles P-C4'-P energy: -49.158
tors. eta vs tors. theta energy: -9.790
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2133.598001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.598001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.598001 (E_RNA)
where:
Base-Base interactions energy: -1416.813
where: short stacking energy: -662.557
Base-Backbone interact. energy: -1.656
local terms energy: -715.129097
where:
bonds (distance) C4'-P energy: -150.310
bonds (distance) P-C4' energy: -134.935
flat angles C4'-P-C4' energy: -146.546
flat angles P-C4'-P energy: -105.138
tors. eta vs tors. theta energy: -178.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1943.492525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.492525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.492525 (E_RNA)
where:
Base-Base interactions energy: -1251.845
where: short stacking energy: -619.463
Base-Backbone interact. energy: -0.175
local terms energy: -691.472988
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -135.553
flat angles C4'-P-C4' energy: -146.208
flat angles P-C4'-P energy: -113.608
tors. eta vs tors. theta energy: -165.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1823.421831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.421831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.421831 (E_RNA)
where:
Base-Base interactions energy: -1142.553
where: short stacking energy: -572.187
Base-Backbone interact. energy: -4.766
local terms energy: -676.102012
where:
bonds (distance) C4'-P energy: -131.086
bonds (distance) P-C4' energy: -133.036
flat angles C4'-P-C4' energy: -160.291
flat angles P-C4'-P energy: -96.872
tors. eta vs tors. theta energy: -154.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1675.442663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.442663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.442663 (E_RNA)
where:
Base-Base interactions energy: -1056.020
where: short stacking energy: -526.097
Base-Backbone interact. energy: -2.538
local terms energy: -616.884851
where:
bonds (distance) C4'-P energy: -121.876
bonds (distance) P-C4' energy: -131.019
flat angles C4'-P-C4' energy: -153.708
flat angles P-C4'-P energy: -80.623
tors. eta vs tors. theta energy: -129.658
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1569.808938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.808938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.808938 (E_RNA)
where:
Base-Base interactions energy: -993.712
where: short stacking energy: -477.451
Base-Backbone interact. energy: -2.886
local terms energy: -573.210785
where:
bonds (distance) C4'-P energy: -125.129
bonds (distance) P-C4' energy: -124.253
flat angles C4'-P-C4' energy: -120.217
flat angles P-C4'-P energy: -78.575
tors. eta vs tors. theta energy: -125.038
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1581.198775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.198775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.198775 (E_RNA)
where:
Base-Base interactions energy: -1015.757
where: short stacking energy: -490.173
Base-Backbone interact. energy: -2.086
local terms energy: -563.355660
where:
bonds (distance) C4'-P energy: -130.762
bonds (distance) P-C4' energy: -123.245
flat angles C4'-P-C4' energy: -117.263
flat angles P-C4'-P energy: -83.182
tors. eta vs tors. theta energy: -108.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1254.576956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.576956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.576956 (E_RNA)
where:
Base-Base interactions energy: -785.096
where: short stacking energy: -389.480
Base-Backbone interact. energy: 2.160
local terms energy: -471.640948
where:
bonds (distance) C4'-P energy: -80.293
bonds (distance) P-C4' energy: -136.447
flat angles C4'-P-C4' energy: -118.610
flat angles P-C4'-P energy: -71.158
tors. eta vs tors. theta energy: -65.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1026.286043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.286043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.286043 (E_RNA)
where:
Base-Base interactions energy: -577.520
where: short stacking energy: -340.158
Base-Backbone interact. energy: 3.604
local terms energy: -452.370696
where:
bonds (distance) C4'-P energy: -115.765
bonds (distance) P-C4' energy: -126.936
flat angles C4'-P-C4' energy: -103.796
flat angles P-C4'-P energy: -70.277
tors. eta vs tors. theta energy: -35.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -947.280231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.280231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.280231 (E_RNA)
where:
Base-Base interactions energy: -509.235
where: short stacking energy: -252.040
Base-Backbone interact. energy: -1.035
local terms energy: -437.010768
where:
bonds (distance) C4'-P energy: -123.868
bonds (distance) P-C4' energy: -129.816
flat angles C4'-P-C4' energy: -100.984
flat angles P-C4'-P energy: -59.607
tors. eta vs tors. theta energy: -22.735
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: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -786.276818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.276818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.276818 (E_RNA)
where:
Base-Base interactions energy: -414.849
where: short stacking energy: -222.257
Base-Backbone interact. energy: 3.270
local terms energy: -374.697443
where:
bonds (distance) C4'-P energy: -110.879
bonds (distance) P-C4' energy: -123.960
flat angles C4'-P-C4' energy: -106.496
flat angles P-C4'-P energy: -48.406
tors. eta vs tors. theta energy: 15.044
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: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2098.776848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.776848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.776848 (E_RNA)
where:
Base-Base interactions energy: -1385.733
where: short stacking energy: -633.397
Base-Backbone interact. energy: -2.598
local terms energy: -710.445359
where:
bonds (distance) C4'-P energy: -139.473
bonds (distance) P-C4' energy: -138.967
flat angles C4'-P-C4' energy: -148.593
flat angles P-C4'-P energy: -105.628
tors. eta vs tors. theta energy: -177.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1932.928717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.928717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.928717 (E_RNA)
where:
Base-Base interactions energy: -1252.133
where: short stacking energy: -611.300
Base-Backbone interact. energy: -3.858
local terms energy: -676.938125
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -126.770
flat angles C4'-P-C4' energy: -157.296
flat angles P-C4'-P energy: -96.404
tors. eta vs tors. theta energy: -162.606
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: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1783.098876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.098876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.098876 (E_RNA)
where:
Base-Base interactions energy: -1127.530
where: short stacking energy: -566.621
Base-Backbone interact. energy: -5.787
local terms energy: -649.782136
where:
bonds (distance) C4'-P energy: -132.627
bonds (distance) P-C4' energy: -135.693
flat angles C4'-P-C4' energy: -157.357
flat angles P-C4'-P energy: -89.688
tors. eta vs tors. theta energy: -134.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1658.929697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.929697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.929697 (E_RNA)
where:
Base-Base interactions energy: -1063.881
where: short stacking energy: -529.603
Base-Backbone interact. energy: -0.660
local terms energy: -594.388908
where:
bonds (distance) C4'-P energy: -125.350
bonds (distance) P-C4' energy: -121.659
flat angles C4'-P-C4' energy: -128.585
flat angles P-C4'-P energy: -90.863
tors. eta vs tors. theta energy: -127.932
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1572.719559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.719559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.719559 (E_RNA)
where:
Base-Base interactions energy: -1003.392
where: short stacking energy: -482.415
Base-Backbone interact. energy: -1.447
local terms energy: -567.880662
where:
bonds (distance) C4'-P energy: -116.901
bonds (distance) P-C4' energy: -123.044
flat angles C4'-P-C4' energy: -131.088
flat angles P-C4'-P energy: -83.837
tors. eta vs tors. theta energy: -113.012
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: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1549.323088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.323088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.323088 (E_RNA)
where:
Base-Base interactions energy: -973.349
where: short stacking energy: -456.027
Base-Backbone interact. energy: -0.589
local terms energy: -575.385387
where:
bonds (distance) C4'-P energy: -127.656
bonds (distance) P-C4' energy: -119.162
flat angles C4'-P-C4' energy: -132.161
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -111.154
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1255.986839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.986839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.986839 (E_RNA)
where:
Base-Base interactions energy: -749.261
where: short stacking energy: -384.083
Base-Backbone interact. energy: -2.767
local terms energy: -503.959071
where:
bonds (distance) C4'-P energy: -107.177
bonds (distance) P-C4' energy: -136.736
flat angles C4'-P-C4' energy: -110.600
flat angles P-C4'-P energy: -78.800
tors. eta vs tors. theta energy: -70.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -993.454777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.454777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.454777 (E_RNA)
where:
Base-Base interactions energy: -488.779
where: short stacking energy: -283.894
Base-Backbone interact. energy: 0.355
local terms energy: -505.031124
where:
bonds (distance) C4'-P energy: -128.574
bonds (distance) P-C4' energy: -137.656
flat angles C4'-P-C4' energy: -116.833
flat angles P-C4'-P energy: -81.798
tors. eta vs tors. theta energy: -40.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -953.697397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.697397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.697397 (E_RNA)
where:
Base-Base interactions energy: -526.661
where: short stacking energy: -295.445
Base-Backbone interact. energy: 7.224
local terms energy: -434.260210
where:
bonds (distance) C4'-P energy: -125.732
bonds (distance) P-C4' energy: -101.940
flat angles C4'-P-C4' energy: -97.655
flat angles P-C4'-P energy: -70.382
tors. eta vs tors. theta energy: -38.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -845.050443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.050443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.050443 (E_RNA)
where:
Base-Base interactions energy: -421.414
where: short stacking energy: -258.068
Base-Backbone interact. energy: -1.628
local terms energy: -422.008816
where:
bonds (distance) C4'-P energy: -116.113
bonds (distance) P-C4' energy: -115.709
flat angles C4'-P-C4' energy: -102.880
flat angles P-C4'-P energy: -57.814
tors. eta vs tors. theta energy: -29.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2104.253442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.253442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.253442 (E_RNA)
where:
Base-Base interactions energy: -1371.733
where: short stacking energy: -628.666
Base-Backbone interact. energy: -0.476
local terms energy: -732.044452
where:
bonds (distance) C4'-P energy: -148.264
bonds (distance) P-C4' energy: -146.251
flat angles C4'-P-C4' energy: -154.250
flat angles P-C4'-P energy: -100.466
tors. eta vs tors. theta energy: -182.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1951.856041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.856041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.856041 (E_RNA)
where:
Base-Base interactions energy: -1254.013
where: short stacking energy: -610.807
Base-Backbone interact. energy: -1.979
local terms energy: -695.864226
where:
bonds (distance) C4'-P energy: -128.693
bonds (distance) P-C4' energy: -146.317
flat angles C4'-P-C4' energy: -147.597
flat angles P-C4'-P energy: -110.060
tors. eta vs tors. theta energy: -163.197
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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1800.385279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.385279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.385279 (E_RNA)
where:
Base-Base interactions energy: -1157.437
where: short stacking energy: -563.621
Base-Backbone interact. energy: -3.157
local terms energy: -639.790573
where:
bonds (distance) C4'-P energy: -132.255
bonds (distance) P-C4' energy: -138.027
flat angles C4'-P-C4' energy: -145.935
flat angles P-C4'-P energy: -81.827
tors. eta vs tors. theta energy: -141.746
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: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1618.704068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.704068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.704068 (E_RNA)
where:
Base-Base interactions energy: -1032.855
where: short stacking energy: -516.160
Base-Backbone interact. energy: -2.459
local terms energy: -583.390689
where:
bonds (distance) C4'-P energy: -115.654
bonds (distance) P-C4' energy: -135.019
flat angles C4'-P-C4' energy: -131.743
flat angles P-C4'-P energy: -80.743
tors. eta vs tors. theta energy: -120.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1619.717367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.717367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.717367 (E_RNA)
where:
Base-Base interactions energy: -1023.928
where: short stacking energy: -492.246
Base-Backbone interact. energy: 0.716
local terms energy: -596.505470
where:
bonds (distance) C4'-P energy: -136.595
bonds (distance) P-C4' energy: -122.108
flat angles C4'-P-C4' energy: -138.081
flat angles P-C4'-P energy: -76.885
tors. eta vs tors. theta energy: -122.837
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: 33
Temperature: 1.150000
Total energy: -1579.639279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.639279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.639279 (E_RNA)
where:
Base-Base interactions energy: -1013.410
where: short stacking energy: -454.926
Base-Backbone interact. energy: -3.543
local terms energy: -562.686141
where:
bonds (distance) C4'-P energy: -111.750
bonds (distance) P-C4' energy: -128.374
flat angles C4'-P-C4' energy: -143.986
flat angles P-C4'-P energy: -74.841
tors. eta vs tors. theta energy: -103.736
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: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1267.779555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.779555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.779555 (E_RNA)
where:
Base-Base interactions energy: -741.362
where: short stacking energy: -380.749
Base-Backbone interact. energy: -1.373
local terms energy: -525.044334
where:
bonds (distance) C4'-P energy: -119.919
bonds (distance) P-C4' energy: -133.362
flat angles C4'-P-C4' energy: -130.648
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -78.271
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: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -964.918367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.918367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.918367 (E_RNA)
where:
Base-Base interactions energy: -525.210
where: short stacking energy: -289.834
Base-Backbone interact. energy: 4.204
local terms energy: -443.912701
where:
bonds (distance) C4'-P energy: -130.304
bonds (distance) P-C4' energy: -110.182
flat angles C4'-P-C4' energy: -108.355
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -959.430943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.430943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.430943 (E_RNA)
where:
Base-Base interactions energy: -528.782
where: short stacking energy: -278.168
Base-Backbone interact. energy: -4.228
local terms energy: -426.420644
where:
bonds (distance) C4'-P energy: -107.785
bonds (distance) P-C4' energy: -123.376
flat angles C4'-P-C4' energy: -117.784
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -32.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -788.224563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.224563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.224563 (E_RNA)
where:
Base-Base interactions energy: -415.862
where: short stacking energy: -229.150
Base-Backbone interact. energy: 3.640
local terms energy: -376.002126
where:
bonds (distance) C4'-P energy: -108.249
bonds (distance) P-C4' energy: -88.143
flat angles C4'-P-C4' energy: -106.535
flat angles P-C4'-P energy: -57.061
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2112.213273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.213273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.213273 (E_RNA)
where:
Base-Base interactions energy: -1401.830
where: short stacking energy: -634.076
Base-Backbone interact. energy: 1.809
local terms energy: -712.191758
where:
bonds (distance) C4'-P energy: -149.587
bonds (distance) P-C4' energy: -140.572
flat angles C4'-P-C4' energy: -143.760
flat angles P-C4'-P energy: -101.712
tors. eta vs tors. theta energy: -176.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1959.703296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.703296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.703296 (E_RNA)
where:
Base-Base interactions energy: -1250.040
where: short stacking energy: -589.328
Base-Backbone interact. energy: -3.539
local terms energy: -706.124446
where:
bonds (distance) C4'-P energy: -134.489
bonds (distance) P-C4' energy: -140.198
flat angles C4'-P-C4' energy: -153.350
flat angles P-C4'-P energy: -105.767
tors. eta vs tors. theta energy: -172.320
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: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1784.941762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.941762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.941762 (E_RNA)
where:
Base-Base interactions energy: -1158.927
where: short stacking energy: -572.440
Base-Backbone interact. energy: -5.640
local terms energy: -620.375479
where:
bonds (distance) C4'-P energy: -121.084
bonds (distance) P-C4' energy: -131.645
flat angles C4'-P-C4' energy: -151.920
flat angles P-C4'-P energy: -88.944
tors. eta vs tors. theta energy: -126.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1586.926283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.926283 (E_RNA)
where:
Base-Base interactions energy: -1001.018
where: short stacking energy: -454.817
Base-Backbone interact. energy: 1.520
local terms energy: -587.428796
where:
bonds (distance) C4'-P energy: -121.549
bonds (distance) P-C4' energy: -130.667
flat angles C4'-P-C4' energy: -136.152
flat angles P-C4'-P energy: -95.173
tors. eta vs tors. theta energy: -103.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1725.965121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.965121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.965121 (E_RNA)
where:
Base-Base interactions energy: -1147.339
where: short stacking energy: -506.366
Base-Backbone interact. energy: -3.511
local terms energy: -575.115310
where:
bonds (distance) C4'-P energy: -114.516
bonds (distance) P-C4' energy: -110.166
flat angles C4'-P-C4' energy: -155.022
flat angles P-C4'-P energy: -82.962
tors. eta vs tors. theta energy: -112.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1535.955682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.955682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.955682 (E_RNA)
where:
Base-Base interactions energy: -973.565
where: short stacking energy: -446.081
Base-Backbone interact. energy: -1.758
local terms energy: -560.632823
where:
bonds (distance) C4'-P energy: -128.333
bonds (distance) P-C4' energy: -120.568
flat angles C4'-P-C4' energy: -140.246
flat angles P-C4'-P energy: -84.153
tors. eta vs tors. theta energy: -87.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1307.022824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.022824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.022824 (E_RNA)
where:
Base-Base interactions energy: -787.383
where: short stacking energy: -390.787
Base-Backbone interact. energy: 1.784
local terms energy: -521.423068
where:
bonds (distance) C4'-P energy: -118.128
bonds (distance) P-C4' energy: -116.684
flat angles C4'-P-C4' energy: -127.737
flat angles P-C4'-P energy: -81.709
tors. eta vs tors. theta energy: -77.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -991.463143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.463143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.463143 (E_RNA)
where:
Base-Base interactions energy: -537.920
where: short stacking energy: -304.474
Base-Backbone interact. energy: 2.820
local terms energy: -456.363204
where:
bonds (distance) C4'-P energy: -117.468
bonds (distance) P-C4' energy: -117.971
flat angles C4'-P-C4' energy: -107.883
flat angles P-C4'-P energy: -57.854
tors. eta vs tors. theta energy: -55.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -993.985229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.985229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.985229 (E_RNA)
where:
Base-Base interactions energy: -571.582
where: short stacking energy: -305.482
Base-Backbone interact. energy: -0.834
local terms energy: -421.569215
where:
bonds (distance) C4'-P energy: -118.516
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -99.828
flat angles P-C4'-P energy: -51.069
tors. eta vs tors. theta energy: -32.000
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: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -742.873230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.873230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.873230 (E_RNA)
where:
Base-Base interactions energy: -370.951
where: short stacking energy: -220.684
Base-Backbone interact. energy: 3.734
local terms energy: -375.656576
where:
bonds (distance) C4'-P energy: -92.516
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -122.421
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2155.971130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.971130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.971130 (E_RNA)
where:
Base-Base interactions energy: -1413.908
where: short stacking energy: -633.929
Base-Backbone interact. energy: -3.032
local terms energy: -739.030694
where:
bonds (distance) C4'-P energy: -153.157
bonds (distance) P-C4' energy: -146.884
flat angles C4'-P-C4' energy: -156.561
flat angles P-C4'-P energy: -106.748
tors. eta vs tors. theta energy: -175.681
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: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1956.585435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.585435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.585435 (E_RNA)
where:
Base-Base interactions energy: -1239.376
where: short stacking energy: -582.998
Base-Backbone interact. energy: -3.135
local terms energy: -714.074491
where:
bonds (distance) C4'-P energy: -153.141
bonds (distance) P-C4' energy: -136.009
flat angles C4'-P-C4' energy: -162.801
flat angles P-C4'-P energy: -109.503
tors. eta vs tors. theta energy: -152.621
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1797.299029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.299029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.299029 (E_RNA)
where:
Base-Base interactions energy: -1139.368
where: short stacking energy: -550.382
Base-Backbone interact. energy: -2.814
local terms energy: -655.117170
where:
bonds (distance) C4'-P energy: -130.994
bonds (distance) P-C4' energy: -135.306
flat angles C4'-P-C4' energy: -142.716
flat angles P-C4'-P energy: -102.680
tors. eta vs tors. theta energy: -143.420
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: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1799.627967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.627967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.627967 (E_RNA)
where:
Base-Base interactions energy: -1170.235
where: short stacking energy: -535.907
Base-Backbone interact. energy: -0.396
local terms energy: -628.996485
where:
bonds (distance) C4'-P energy: -131.946
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -149.263
flat angles P-C4'-P energy: -90.797
tors. eta vs tors. theta energy: -120.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1514.506641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.506641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.506641 (E_RNA)
where:
Base-Base interactions energy: -930.792
where: short stacking energy: -467.865
Base-Backbone interact. energy: -3.162
local terms energy: -580.551996
where:
bonds (distance) C4'-P energy: -108.519
bonds (distance) P-C4' energy: -130.362
flat angles C4'-P-C4' energy: -137.401
flat angles P-C4'-P energy: -85.741
tors. eta vs tors. theta energy: -118.529
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: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1467.966067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.966067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.966067 (E_RNA)
where:
Base-Base interactions energy: -958.869
where: short stacking energy: -429.422
Base-Backbone interact. energy: 1.756
local terms energy: -510.853301
where:
bonds (distance) C4'-P energy: -106.020
bonds (distance) P-C4' energy: -101.385
flat angles C4'-P-C4' energy: -139.333
flat angles P-C4'-P energy: -83.840
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: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1342.409141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.409141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.409141 (E_RNA)
where:
Base-Base interactions energy: -845.656
where: short stacking energy: -393.439
Base-Backbone interact. energy: -1.103
local terms energy: -495.650872
where:
bonds (distance) C4'-P energy: -102.221
bonds (distance) P-C4' energy: -124.566
flat angles C4'-P-C4' energy: -122.501
flat angles P-C4'-P energy: -84.140
tors. eta vs tors. theta energy: -62.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -955.743526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.743526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.743526 (E_RNA)
where:
Base-Base interactions energy: -527.381
where: short stacking energy: -289.961
Base-Backbone interact. energy: -0.163
local terms energy: -428.199553
where:
bonds (distance) C4'-P energy: -110.064
bonds (distance) P-C4' energy: -125.828
flat angles C4'-P-C4' energy: -100.772
flat angles P-C4'-P energy: -76.430
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -927.261631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.261631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.261631 (E_RNA)
where:
Base-Base interactions energy: -506.388
where: short stacking energy: -252.360
Base-Backbone interact. energy: 0.960
local terms energy: -421.833609
where:
bonds (distance) C4'-P energy: -104.496
bonds (distance) P-C4' energy: -128.565
flat angles C4'-P-C4' energy: -103.174
flat angles P-C4'-P energy: -65.772
tors. eta vs tors. theta energy: -19.826
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: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -723.911230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.911230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.911230 (E_RNA)
where:
Base-Base interactions energy: -371.759
where: short stacking energy: -179.067
Base-Backbone interact. energy: 3.692
local terms energy: -355.844830
where:
bonds (distance) C4'-P energy: -119.622
bonds (distance) P-C4' energy: -119.038
flat angles C4'-P-C4' energy: -77.032
flat angles P-C4'-P energy: -54.372
tors. eta vs tors. theta energy: 14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2166.264713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.264713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.264713 (E_RNA)
where:
Base-Base interactions energy: -1425.156
where: short stacking energy: -673.916
Base-Backbone interact. energy: -3.441
local terms energy: -737.667582
where:
bonds (distance) C4'-P energy: -136.981
bonds (distance) P-C4' energy: -160.777
flat angles C4'-P-C4' energy: -152.139
flat angles P-C4'-P energy: -104.305
tors. eta vs tors. theta energy: -183.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1904.269603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.269603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.269603 (E_RNA)
where:
Base-Base interactions energy: -1212.935
where: short stacking energy: -605.189
Base-Backbone interact. energy: -5.444
local terms energy: -685.890789
where:
bonds (distance) C4'-P energy: -137.658
bonds (distance) P-C4' energy: -152.438
flat angles C4'-P-C4' energy: -144.681
flat angles P-C4'-P energy: -86.448
tors. eta vs tors. theta energy: -164.665
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: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1854.557764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.557764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.557764 (E_RNA)
where:
Base-Base interactions energy: -1189.162
where: short stacking energy: -580.217
Base-Backbone interact. energy: -0.820
local terms energy: -664.575602
where:
bonds (distance) C4'-P energy: -134.279
bonds (distance) P-C4' energy: -126.053
flat angles C4'-P-C4' energy: -144.002
flat angles P-C4'-P energy: -105.682
tors. eta vs tors. theta energy: -154.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1774.141120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.141120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.141120 (E_RNA)
where:
Base-Base interactions energy: -1141.126
where: short stacking energy: -509.637
Base-Backbone interact. energy: 1.053
local terms energy: -634.068035
where:
bonds (distance) C4'-P energy: -121.375
bonds (distance) P-C4' energy: -139.546
flat angles C4'-P-C4' energy: -151.329
flat angles P-C4'-P energy: -87.692
tors. eta vs tors. theta energy: -134.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1544.817759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.817759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.817759 (E_RNA)
where:
Base-Base interactions energy: -966.822
where: short stacking energy: -498.288
Base-Backbone interact. energy: 6.359
local terms energy: -584.354872
where:
bonds (distance) C4'-P energy: -114.602
bonds (distance) P-C4' energy: -111.547
flat angles C4'-P-C4' energy: -136.215
flat angles P-C4'-P energy: -96.746
tors. eta vs tors. theta energy: -125.245
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: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1412.571048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.571048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.571048 (E_RNA)
where:
Base-Base interactions energy: -876.461
where: short stacking energy: -422.231
Base-Backbone interact. energy: -0.569
local terms energy: -535.542003
where:
bonds (distance) C4'-P energy: -130.988
bonds (distance) P-C4' energy: -134.206
flat angles C4'-P-C4' energy: -110.418
flat angles P-C4'-P energy: -77.083
tors. eta vs tors. theta energy: -82.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1393.363886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.363886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.363886 (E_RNA)
where:
Base-Base interactions energy: -864.015
where: short stacking energy: -414.258
Base-Backbone interact. energy: 1.607
local terms energy: -530.955814
where:
bonds (distance) C4'-P energy: -131.223
bonds (distance) P-C4' energy: -113.591
flat angles C4'-P-C4' energy: -134.591
flat angles P-C4'-P energy: -81.208
tors. eta vs tors. theta energy: -70.342
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: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1012.680470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.680470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.680470 (E_RNA)
where:
Base-Base interactions energy: -554.528
where: short stacking energy: -293.890
Base-Backbone interact. energy: 3.359
local terms energy: -461.510906
where:
bonds (distance) C4'-P energy: -111.734
bonds (distance) P-C4' energy: -134.706
flat angles C4'-P-C4' energy: -108.903
flat angles P-C4'-P energy: -75.566
tors. eta vs tors. theta energy: -30.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -945.341836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.341836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.341836 (E_RNA)
where:
Base-Base interactions energy: -516.418
where: short stacking energy: -289.402
Base-Backbone interact. energy: 0.201
local terms energy: -429.125621
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -94.731
flat angles C4'-P-C4' energy: -114.711
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -44.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -793.385228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.385228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.385228 (E_RNA)
where:
Base-Base interactions energy: -374.199
where: short stacking energy: -222.815
Base-Backbone interact. energy: 5.388
local terms energy: -424.573626
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -130.067
flat angles C4'-P-C4' energy: -103.040
flat angles P-C4'-P energy: -77.659
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2188.879172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.879172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.879172 (E_RNA)
where:
Base-Base interactions energy: -1435.012
where: short stacking energy: -659.177
Base-Backbone interact. energy: -4.572
local terms energy: -749.295602
where:
bonds (distance) C4'-P energy: -137.562
bonds (distance) P-C4' energy: -157.224
flat angles C4'-P-C4' energy: -165.926
flat angles P-C4'-P energy: -102.136
tors. eta vs tors. theta energy: -186.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1921.167581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.167581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.167581 (E_RNA)
where:
Base-Base interactions energy: -1240.352
where: short stacking energy: -591.538
Base-Backbone interact. energy: -0.904
local terms energy: -679.911711
where:
bonds (distance) C4'-P energy: -139.663
bonds (distance) P-C4' energy: -132.258
flat angles C4'-P-C4' energy: -148.843
flat angles P-C4'-P energy: -100.613
tors. eta vs tors. theta energy: -158.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1856.372787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.372787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.372787 (E_RNA)
where:
Base-Base interactions energy: -1180.604
where: short stacking energy: -580.215
Base-Backbone interact. energy: -3.071
local terms energy: -672.697773
where:
bonds (distance) C4'-P energy: -138.120
bonds (distance) P-C4' energy: -131.456
flat angles C4'-P-C4' energy: -147.784
flat angles P-C4'-P energy: -92.658
tors. eta vs tors. theta energy: -162.680
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: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1802.489736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.489736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.489736 (E_RNA)
where:
Base-Base interactions energy: -1187.687
where: short stacking energy: -545.308
Base-Backbone interact. energy: -0.959
local terms energy: -613.844568
where:
bonds (distance) C4'-P energy: -125.259
bonds (distance) P-C4' energy: -119.151
flat angles C4'-P-C4' energy: -152.046
flat angles P-C4'-P energy: -80.579
tors. eta vs tors. theta energy: -136.810
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1481.042673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.042673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.042673 (E_RNA)
where:
Base-Base interactions energy: -920.724
where: short stacking energy: -452.713
Base-Backbone interact. energy: 1.260
local terms energy: -561.578715
where:
bonds (distance) C4'-P energy: -121.602
bonds (distance) P-C4' energy: -129.926
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -84.706
tors. eta vs tors. theta energy: -105.816
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: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1464.043122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.043122 (E_RNA)
where:
Base-Base interactions energy: -920.906
where: short stacking energy: -445.188
Base-Backbone interact. energy: -1.678
local terms energy: -541.459263
where:
bonds (distance) C4'-P energy: -118.768
bonds (distance) P-C4' energy: -112.819
flat angles C4'-P-C4' energy: -124.172
flat angles P-C4'-P energy: -90.817
tors. eta vs tors. theta energy: -94.883
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: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1403.667748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.667748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.667748 (E_RNA)
where:
Base-Base interactions energy: -910.954
where: short stacking energy: -407.315
Base-Backbone interact. energy: 0.283
local terms energy: -492.996934
where:
bonds (distance) C4'-P energy: -100.753
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -124.252
flat angles P-C4'-P energy: -70.124
tors. eta vs tors. theta energy: -77.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1027.848948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.848948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.848948 (E_RNA)
where:
Base-Base interactions energy: -586.507
where: short stacking energy: -335.251
Base-Backbone interact. energy: 0.392
local terms energy: -441.734468
where:
bonds (distance) C4'-P energy: -114.115
bonds (distance) P-C4' energy: -117.338
flat angles C4'-P-C4' energy: -109.473
flat angles P-C4'-P energy: -56.066
tors. eta vs tors. theta energy: -44.742
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: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -969.145684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.145684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.145684 (E_RNA)
where:
Base-Base interactions energy: -571.139
where: short stacking energy: -290.818
Base-Backbone interact. energy: -0.408
local terms energy: -397.598091
where:
bonds (distance) C4'-P energy: -105.493
bonds (distance) P-C4' energy: -96.857
flat angles C4'-P-C4' energy: -109.205
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -28.742
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: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -815.323745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.323745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.323745 (E_RNA)
where:
Base-Base interactions energy: -400.906
where: short stacking energy: -231.255
Base-Backbone interact. energy: -3.856
local terms energy: -410.561663
where:
bonds (distance) C4'-P energy: -129.302
bonds (distance) P-C4' energy: -119.056
flat angles C4'-P-C4' energy: -99.890
flat angles P-C4'-P energy: -42.638
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2166.266455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.266455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.266455 (E_RNA)
where:
Base-Base interactions energy: -1462.422
where: short stacking energy: -664.364
Base-Backbone interact. energy: -3.959
local terms energy: -699.885560
where:
bonds (distance) C4'-P energy: -128.048
bonds (distance) P-C4' energy: -141.486
flat angles C4'-P-C4' energy: -155.807
flat angles P-C4'-P energy: -86.564
tors. eta vs tors. theta energy: -187.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2005.813400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.813400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.813400 (E_RNA)
where:
Base-Base interactions energy: -1318.958
where: short stacking energy: -583.766
Base-Backbone interact. energy: 3.122
local terms energy: -689.977240
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -146.333
flat angles C4'-P-C4' energy: -152.414
flat angles P-C4'-P energy: -96.630
tors. eta vs tors. theta energy: -160.953
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: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1809.374958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.374958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.374958 (E_RNA)
where:
Base-Base interactions energy: -1180.510
where: short stacking energy: -558.948
Base-Backbone interact. energy: -1.573
local terms energy: -627.291555
where:
bonds (distance) C4'-P energy: -117.238
bonds (distance) P-C4' energy: -131.536
flat angles C4'-P-C4' energy: -142.660
flat angles P-C4'-P energy: -99.433
tors. eta vs tors. theta energy: -136.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1779.699387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.699387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.699387 (E_RNA)
where:
Base-Base interactions energy: -1148.904
where: short stacking energy: -536.606
Base-Backbone interact. energy: 1.144
local terms energy: -631.938558
where:
bonds (distance) C4'-P energy: -126.818
bonds (distance) P-C4' energy: -146.109
flat angles C4'-P-C4' energy: -138.464
flat angles P-C4'-P energy: -92.181
tors. eta vs tors. theta energy: -128.367
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: 38
Temperature: 1.100000
Total energy: -1541.329710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.329710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.329710 (E_RNA)
where:
Base-Base interactions energy: -983.382
where: short stacking energy: -492.413
Base-Backbone interact. energy: -2.975
local terms energy: -554.972978
where:
bonds (distance) C4'-P energy: -109.612
bonds (distance) P-C4' energy: -119.142
flat angles C4'-P-C4' energy: -125.321
flat angles P-C4'-P energy: -99.956
tors. eta vs tors. theta energy: -100.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1337.402523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.402523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.402523 (E_RNA)
where:
Base-Base interactions energy: -839.531
where: short stacking energy: -365.675
Base-Backbone interact. energy: -1.802
local terms energy: -496.070186
where:
bonds (distance) C4'-P energy: -123.877
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -123.317
flat angles P-C4'-P energy: -80.232
tors. eta vs tors. theta energy: -58.821
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: 38
Temperature: 1.200000
Total energy: -1449.734793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.734793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.734793 (E_RNA)
where:
Base-Base interactions energy: -915.388
where: short stacking energy: -419.088
Base-Backbone interact. energy: -3.699
local terms energy: -530.647450
where:
bonds (distance) C4'-P energy: -105.659
bonds (distance) P-C4' energy: -130.856
flat angles C4'-P-C4' energy: -127.003
flat angles P-C4'-P energy: -77.177
tors. eta vs tors. theta energy: -89.953
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: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -995.728501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.728501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.728501 (E_RNA)
where:
Base-Base interactions energy: -521.252
where: short stacking energy: -306.954
Base-Backbone interact. energy: -0.278
local terms energy: -474.197683
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -123.363
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -76.120
tors. eta vs tors. theta energy: -38.260
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: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -997.110046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.110046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.110046 (E_RNA)
where:
Base-Base interactions energy: -548.492
where: short stacking energy: -267.428
Base-Backbone interact. energy: 2.315
local terms energy: -450.932872
where:
bonds (distance) C4'-P energy: -101.309
bonds (distance) P-C4' energy: -137.936
flat angles C4'-P-C4' energy: -100.232
flat angles P-C4'-P energy: -63.889
tors. eta vs tors. theta energy: -47.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -805.326711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.326711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.326711 (E_RNA)
where:
Base-Base interactions energy: -394.946
where: short stacking energy: -216.005
Base-Backbone interact. energy: 4.272
local terms energy: -414.651923
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -118.565
flat angles C4'-P-C4' energy: -125.091
flat angles P-C4'-P energy: -64.500
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2172.170520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.170520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.170520 (E_RNA)
where:
Base-Base interactions energy: -1453.589
where: short stacking energy: -659.349
Base-Backbone interact. energy: -3.759
local terms energy: -714.821733
where:
bonds (distance) C4'-P energy: -139.375
bonds (distance) P-C4' energy: -142.598
flat angles C4'-P-C4' energy: -153.959
flat angles P-C4'-P energy: -108.326
tors. eta vs tors. theta energy: -170.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2047.884767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.884767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.884767 (E_RNA)
where:
Base-Base interactions energy: -1349.656
where: short stacking energy: -608.588
Base-Backbone interact. energy: -4.648
local terms energy: -693.581127
where:
bonds (distance) C4'-P energy: -139.643
bonds (distance) P-C4' energy: -139.471
flat angles C4'-P-C4' energy: -143.080
flat angles P-C4'-P energy: -100.638
tors. eta vs tors. theta energy: -170.749
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: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1885.154598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.154598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.154598 (E_RNA)
where:
Base-Base interactions energy: -1200.393
where: short stacking energy: -611.592
Base-Backbone interact. energy: -1.777
local terms energy: -682.983823
where:
bonds (distance) C4'-P energy: -126.665
bonds (distance) P-C4' energy: -141.198
flat angles C4'-P-C4' energy: -153.187
flat angles P-C4'-P energy: -84.378
tors. eta vs tors. theta energy: -177.555
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: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1788.482159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.482159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.482159 (E_RNA)
where:
Base-Base interactions energy: -1167.594
where: short stacking energy: -544.263
Base-Backbone interact. energy: -3.896
local terms energy: -616.992702
where:
bonds (distance) C4'-P energy: -123.285
bonds (distance) P-C4' energy: -118.804
flat angles C4'-P-C4' energy: -147.451
flat angles P-C4'-P energy: -96.081
tors. eta vs tors. theta energy: -131.371
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: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1658.653885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.653885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.653885 (E_RNA)
where:
Base-Base interactions energy: -1069.791
where: short stacking energy: -479.556
Base-Backbone interact. energy: -2.835
local terms energy: -586.028569
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -120.672
flat angles C4'-P-C4' energy: -128.301
flat angles P-C4'-P energy: -94.650
tors. eta vs tors. theta energy: -112.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1523.757459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.757459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.757459 (E_RNA)
where:
Base-Base interactions energy: -971.024
where: short stacking energy: -472.901
Base-Backbone interact. energy: -5.868
local terms energy: -546.865119
where:
bonds (distance) C4'-P energy: -111.442
bonds (distance) P-C4' energy: -125.897
flat angles C4'-P-C4' energy: -122.873
flat angles P-C4'-P energy: -81.895
tors. eta vs tors. theta energy: -104.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1276.013145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.013145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.013145 (E_RNA)
where:
Base-Base interactions energy: -804.375
where: short stacking energy: -400.398
Base-Backbone interact. energy: 1.275
local terms energy: -472.912550
where:
bonds (distance) C4'-P energy: -87.653
bonds (distance) P-C4' energy: -110.375
flat angles C4'-P-C4' energy: -132.215
flat angles P-C4'-P energy: -67.495
tors. eta vs tors. theta energy: -75.174
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: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1004.238855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.238855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.238855 (E_RNA)
where:
Base-Base interactions energy: -551.703
where: short stacking energy: -309.935
Base-Backbone interact. energy: 3.896
local terms energy: -456.432019
where:
bonds (distance) C4'-P energy: -122.943
bonds (distance) P-C4' energy: -125.548
flat angles C4'-P-C4' energy: -99.153
flat angles P-C4'-P energy: -62.132
tors. eta vs tors. theta energy: -46.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -989.180153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.180153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.180153 (E_RNA)
where:
Base-Base interactions energy: -534.919
where: short stacking energy: -295.834
Base-Backbone interact. energy: -4.232
local terms energy: -450.029136
where:
bonds (distance) C4'-P energy: -121.943
bonds (distance) P-C4' energy: -112.794
flat angles C4'-P-C4' energy: -110.659
flat angles P-C4'-P energy: -78.869
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -790.908438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.908438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.908438 (E_RNA)
where:
Base-Base interactions energy: -405.639
where: short stacking energy: -230.167
Base-Backbone interact. energy: -0.114
local terms energy: -385.155087
where:
bonds (distance) C4'-P energy: -110.723
bonds (distance) P-C4' energy: -121.708
flat angles C4'-P-C4' energy: -101.394
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2178.926889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.926889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.926889 (E_RNA)
where:
Base-Base interactions energy: -1461.838
where: short stacking energy: -652.701
Base-Backbone interact. energy: -2.504
local terms energy: -714.584931
where:
bonds (distance) C4'-P energy: -139.306
bonds (distance) P-C4' energy: -137.395
flat angles C4'-P-C4' energy: -157.724
flat angles P-C4'-P energy: -106.207
tors. eta vs tors. theta energy: -173.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2048.341941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.341941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.341941 (E_RNA)
where:
Base-Base interactions energy: -1341.455
where: short stacking energy: -608.397
Base-Backbone interact. energy: -2.848
local terms energy: -704.038441
where:
bonds (distance) C4'-P energy: -141.207
bonds (distance) P-C4' energy: -147.180
flat angles C4'-P-C4' energy: -156.509
flat angles P-C4'-P energy: -96.055
tors. eta vs tors. theta energy: -163.088
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: 40
Temperature: 1.000000
Total energy: -1896.784398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.784398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.784398 (E_RNA)
where:
Base-Base interactions energy: -1221.977
where: short stacking energy: -589.178
Base-Backbone interact. energy: -0.498
local terms energy: -674.310152
where:
bonds (distance) C4'-P energy: -134.815
bonds (distance) P-C4' energy: -140.889
flat angles C4'-P-C4' energy: -132.241
flat angles P-C4'-P energy: -109.091
tors. eta vs tors. theta energy: -157.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1790.841115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.841115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.841115 (E_RNA)
where:
Base-Base interactions energy: -1202.287
where: short stacking energy: -485.676
Base-Backbone interact. energy: -1.265
local terms energy: -587.288196
where:
bonds (distance) C4'-P energy: -119.444
bonds (distance) P-C4' energy: -120.086
flat angles C4'-P-C4' energy: -131.863
flat angles P-C4'-P energy: -89.988
tors. eta vs tors. theta energy: -125.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1653.742252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.742252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.742252 (E_RNA)
where:
Base-Base interactions energy: -1048.447
where: short stacking energy: -467.383
Base-Backbone interact. energy: -2.979
local terms energy: -602.316025
where:
bonds (distance) C4'-P energy: -120.593
bonds (distance) P-C4' energy: -128.282
flat angles C4'-P-C4' energy: -139.185
flat angles P-C4'-P energy: -91.682
tors. eta vs tors. theta energy: -122.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1502.526522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.526522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.526522 (E_RNA)
where:
Base-Base interactions energy: -968.725
where: short stacking energy: -438.555
Base-Backbone interact. energy: 0.774
local terms energy: -534.574649
where:
bonds (distance) C4'-P energy: -115.069
bonds (distance) P-C4' energy: -123.066
flat angles C4'-P-C4' energy: -141.739
flat angles P-C4'-P energy: -67.727
tors. eta vs tors. theta energy: -86.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1155.193059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.193059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.193059 (E_RNA)
where:
Base-Base interactions energy: -687.122
where: short stacking energy: -345.889
Base-Backbone interact. energy: -1.390
local terms energy: -466.681213
where:
bonds (distance) C4'-P energy: -120.596
bonds (distance) P-C4' energy: -116.716
flat angles C4'-P-C4' energy: -112.467
flat angles P-C4'-P energy: -79.746
tors. eta vs tors. theta energy: -37.157
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: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -959.538395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.538395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.538395 (E_RNA)
where:
Base-Base interactions energy: -503.616
where: short stacking energy: -293.008
Base-Backbone interact. energy: 3.073
local terms energy: -458.995470
where:
bonds (distance) C4'-P energy: -117.856
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -109.649
flat angles P-C4'-P energy: -81.463
tors. eta vs tors. theta energy: -27.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -972.697727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.697727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.697727 (E_RNA)
where:
Base-Base interactions energy: -514.057
where: short stacking energy: -258.320
Base-Backbone interact. energy: -3.342
local terms energy: -455.299586
where:
bonds (distance) C4'-P energy: -119.893
bonds (distance) P-C4' energy: -128.106
flat angles C4'-P-C4' energy: -109.667
flat angles P-C4'-P energy: -71.040
tors. eta vs tors. theta energy: -26.594
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: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -806.064013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.064013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.064013 (E_RNA)
where:
Base-Base interactions energy: -417.328
where: short stacking energy: -231.604
Base-Backbone interact. energy: -0.664
local terms energy: -388.071179
where:
bonds (distance) C4'-P energy: -104.146
bonds (distance) P-C4' energy: -111.704
flat angles C4'-P-C4' energy: -105.444
flat angles P-C4'-P energy: -53.104
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2166.786777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.786777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.786777 (E_RNA)
where:
Base-Base interactions energy: -1451.457
where: short stacking energy: -656.254
Base-Backbone interact. energy: -4.180
local terms energy: -711.150278
where:
bonds (distance) C4'-P energy: -138.736
bonds (distance) P-C4' energy: -140.348
flat angles C4'-P-C4' energy: -162.299
flat angles P-C4'-P energy: -97.705
tors. eta vs tors. theta energy: -172.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2027.372767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.372767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.372767 (E_RNA)
where:
Base-Base interactions energy: -1328.496
where: short stacking energy: -620.836
Base-Backbone interact. energy: -3.518
local terms energy: -695.358664
where:
bonds (distance) C4'-P energy: -139.225
bonds (distance) P-C4' energy: -137.396
flat angles C4'-P-C4' energy: -151.495
flat angles P-C4'-P energy: -94.573
tors. eta vs tors. theta energy: -172.671
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: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1955.271164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.271164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.271164 (E_RNA)
where:
Base-Base interactions energy: -1295.522
where: short stacking energy: -585.070
Base-Backbone interact. energy: -2.804
local terms energy: -656.945122
where:
bonds (distance) C4'-P energy: -129.041
bonds (distance) P-C4' energy: -126.077
flat angles C4'-P-C4' energy: -151.157
flat angles P-C4'-P energy: -96.460
tors. eta vs tors. theta energy: -154.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1854.780437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.780437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.780437 (E_RNA)
where:
Base-Base interactions energy: -1247.747
where: short stacking energy: -551.400
Base-Backbone interact. energy: -5.003
local terms energy: -602.030307
where:
bonds (distance) C4'-P energy: -133.827
bonds (distance) P-C4' energy: -117.805
flat angles C4'-P-C4' energy: -138.925
flat angles P-C4'-P energy: -83.913
tors. eta vs tors. theta energy: -127.560
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: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1665.342640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.342640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.342640 (E_RNA)
where:
Base-Base interactions energy: -1068.077
where: short stacking energy: -471.141
Base-Backbone interact. energy: -3.814
local terms energy: -593.451696
where:
bonds (distance) C4'-P energy: -141.979
bonds (distance) P-C4' energy: -119.038
flat angles C4'-P-C4' energy: -151.066
flat angles P-C4'-P energy: -75.983
tors. eta vs tors. theta energy: -105.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1544.867430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.867430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.867430 (E_RNA)
where:
Base-Base interactions energy: -956.916
where: short stacking energy: -423.812
Base-Backbone interact. energy: -2.216
local terms energy: -585.735087
where:
bonds (distance) C4'-P energy: -139.951
bonds (distance) P-C4' energy: -124.228
flat angles C4'-P-C4' energy: -138.634
flat angles P-C4'-P energy: -80.046
tors. eta vs tors. theta energy: -102.876
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: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1210.319781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.319781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.319781 (E_RNA)
where:
Base-Base interactions energy: -725.977
where: short stacking energy: -349.970
Base-Backbone interact. energy: 0.643
local terms energy: -484.985576
where:
bonds (distance) C4'-P energy: -127.474
bonds (distance) P-C4' energy: -117.925
flat angles C4'-P-C4' energy: -112.791
flat angles P-C4'-P energy: -77.150
tors. eta vs tors. theta energy: -49.646
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: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -979.548448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.548448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.548448 (E_RNA)
where:
Base-Base interactions energy: -552.889
where: short stacking energy: -278.548
Base-Backbone interact. energy: 3.213
local terms energy: -429.872251
where:
bonds (distance) C4'-P energy: -98.790
bonds (distance) P-C4' energy: -138.429
flat angles C4'-P-C4' energy: -102.791
flat angles P-C4'-P energy: -75.390
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -915.037206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.037206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.037206 (E_RNA)
where:
Base-Base interactions energy: -501.091
where: short stacking energy: -265.783
Base-Backbone interact. energy: 2.809
local terms energy: -416.755420
where:
bonds (distance) C4'-P energy: -109.676
bonds (distance) P-C4' energy: -111.712
flat angles C4'-P-C4' energy: -112.599
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -18.404
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: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -747.159667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.159667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.159667 (E_RNA)
where:
Base-Base interactions energy: -359.240
where: short stacking energy: -222.176
Base-Backbone interact. energy: -2.196
local terms energy: -385.723015
where:
bonds (distance) C4'-P energy: -98.287
bonds (distance) P-C4' energy: -109.586
flat angles C4'-P-C4' energy: -100.653
flat angles P-C4'-P energy: -70.321
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2134.674159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.674159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.674159 (E_RNA)
where:
Base-Base interactions energy: -1441.656
where: short stacking energy: -654.424
Base-Backbone interact. energy: -3.625
local terms energy: -689.392212
where:
bonds (distance) C4'-P energy: -130.058
bonds (distance) P-C4' energy: -131.367
flat angles C4'-P-C4' energy: -160.701
flat angles P-C4'-P energy: -81.502
tors. eta vs tors. theta energy: -185.764
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: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1985.359504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.359504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.359504 (E_RNA)
where:
Base-Base interactions energy: -1316.404
where: short stacking energy: -609.470
Base-Backbone interact. energy: -2.129
local terms energy: -666.826420
where:
bonds (distance) C4'-P energy: -133.921
bonds (distance) P-C4' energy: -138.897
flat angles C4'-P-C4' energy: -141.614
flat angles P-C4'-P energy: -93.313
tors. eta vs tors. theta energy: -159.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1945.551248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.551248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.551248 (E_RNA)
where:
Base-Base interactions energy: -1257.229
where: short stacking energy: -585.925
Base-Backbone interact. energy: -3.302
local terms energy: -685.019456
where:
bonds (distance) C4'-P energy: -135.174
bonds (distance) P-C4' energy: -140.580
flat angles C4'-P-C4' energy: -151.082
flat angles P-C4'-P energy: -88.412
tors. eta vs tors. theta energy: -169.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1907.179034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.179034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.179034 (E_RNA)
where:
Base-Base interactions energy: -1271.576
where: short stacking energy: -558.455
Base-Backbone interact. energy: -4.506
local terms energy: -631.097184
where:
bonds (distance) C4'-P energy: -112.814
bonds (distance) P-C4' energy: -137.322
flat angles C4'-P-C4' energy: -148.305
flat angles P-C4'-P energy: -77.387
tors. eta vs tors. theta energy: -155.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1689.480307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.480307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.480307 (E_RNA)
where:
Base-Base interactions energy: -1087.352
where: short stacking energy: -480.340
Base-Backbone interact. energy: -2.139
local terms energy: -599.989806
where:
bonds (distance) C4'-P energy: -126.995
bonds (distance) P-C4' energy: -135.285
flat angles C4'-P-C4' energy: -142.361
flat angles P-C4'-P energy: -87.449
tors. eta vs tors. theta energy: -107.899
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: 42
Temperature: 1.150000
Total energy: -1528.859837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.859837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.859837 (E_RNA)
where:
Base-Base interactions energy: -965.235
where: short stacking energy: -454.612
Base-Backbone interact. energy: -3.054
local terms energy: -560.570844
where:
bonds (distance) C4'-P energy: -139.388
bonds (distance) P-C4' energy: -128.024
flat angles C4'-P-C4' energy: -125.624
flat angles P-C4'-P energy: -64.931
tors. eta vs tors. theta energy: -102.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1276.759645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.759645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.759645 (E_RNA)
where:
Base-Base interactions energy: -747.628
where: short stacking energy: -358.749
Base-Backbone interact. energy: 0.888
local terms energy: -530.019632
where:
bonds (distance) C4'-P energy: -129.429
bonds (distance) P-C4' energy: -145.489
flat angles C4'-P-C4' energy: -117.016
flat angles P-C4'-P energy: -82.347
tors. eta vs tors. theta energy: -55.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1020.536629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.536629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.536629 (E_RNA)
where:
Base-Base interactions energy: -590.681
where: short stacking energy: -296.026
Base-Backbone interact. energy: 4.196
local terms energy: -434.051492
where:
bonds (distance) C4'-P energy: -107.230
bonds (distance) P-C4' energy: -128.727
flat angles C4'-P-C4' energy: -93.576
flat angles P-C4'-P energy: -69.735
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -884.442327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.442327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.442327 (E_RNA)
where:
Base-Base interactions energy: -464.337
where: short stacking energy: -277.383
Base-Backbone interact. energy: 5.016
local terms energy: -425.121180
where:
bonds (distance) C4'-P energy: -107.749
bonds (distance) P-C4' energy: -104.870
flat angles C4'-P-C4' energy: -117.860
flat angles P-C4'-P energy: -67.919
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -732.324354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.324354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.324354 (E_RNA)
where:
Base-Base interactions energy: -358.747
where: short stacking energy: -208.079
Base-Backbone interact. energy: 0.044
local terms energy: -373.621716
where:
bonds (distance) C4'-P energy: -99.395
bonds (distance) P-C4' energy: -112.192
flat angles C4'-P-C4' energy: -106.563
flat angles P-C4'-P energy: -60.283
tors. eta vs tors. theta energy: 4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2144.620447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.620447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.620447 (E_RNA)
where:
Base-Base interactions energy: -1414.351
where: short stacking energy: -645.843
Base-Backbone interact. energy: -6.271
local terms energy: -723.998910
where:
bonds (distance) C4'-P energy: -145.966
bonds (distance) P-C4' energy: -148.728
flat angles C4'-P-C4' energy: -149.886
flat angles P-C4'-P energy: -106.575
tors. eta vs tors. theta energy: -172.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1983.281670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.281670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.281670 (E_RNA)
where:
Base-Base interactions energy: -1313.191
where: short stacking energy: -613.538
Base-Backbone interact. energy: -0.150
local terms energy: -669.941107
where:
bonds (distance) C4'-P energy: -128.097
bonds (distance) P-C4' energy: -142.258
flat angles C4'-P-C4' energy: -139.626
flat angles P-C4'-P energy: -98.273
tors. eta vs tors. theta energy: -161.687
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: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1924.827873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.827873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.827873 (E_RNA)
where:
Base-Base interactions energy: -1247.185
where: short stacking energy: -591.637
Base-Backbone interact. energy: -2.550
local terms energy: -675.092599
where:
bonds (distance) C4'-P energy: -129.306
bonds (distance) P-C4' energy: -141.280
flat angles C4'-P-C4' energy: -145.017
flat angles P-C4'-P energy: -101.153
tors. eta vs tors. theta energy: -158.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1887.890055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.890055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.890055 (E_RNA)
where:
Base-Base interactions energy: -1292.740
where: short stacking energy: -556.509
Base-Backbone interact. energy: 3.646
local terms energy: -598.796298
where:
bonds (distance) C4'-P energy: -125.207
bonds (distance) P-C4' energy: -127.305
flat angles C4'-P-C4' energy: -133.184
flat angles P-C4'-P energy: -71.419
tors. eta vs tors. theta energy: -141.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1716.470368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.470368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.470368 (E_RNA)
where:
Base-Base interactions energy: -1123.690
where: short stacking energy: -505.563
Base-Backbone interact. energy: 0.627
local terms energy: -593.407494
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -132.327
flat angles P-C4'-P energy: -84.588
tors. eta vs tors. theta energy: -139.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1532.014142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.014142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.014142 (E_RNA)
where:
Base-Base interactions energy: -1007.499
where: short stacking energy: -440.241
Base-Backbone interact. energy: -3.745
local terms energy: -520.769919
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -108.075
flat angles P-C4'-P energy: -80.719
tors. eta vs tors. theta energy: -83.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1284.173733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.173733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.173733 (E_RNA)
where:
Base-Base interactions energy: -788.905
where: short stacking energy: -366.943
Base-Backbone interact. energy: 1.321
local terms energy: -496.589113
where:
bonds (distance) C4'-P energy: -135.127
bonds (distance) P-C4' energy: -112.773
flat angles C4'-P-C4' energy: -107.820
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -67.810
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: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1037.253390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.253390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.253390 (E_RNA)
where:
Base-Base interactions energy: -610.489
where: short stacking energy: -294.865
Base-Backbone interact. energy: -1.840
local terms energy: -424.924360
where:
bonds (distance) C4'-P energy: -96.547
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -108.927
flat angles P-C4'-P energy: -62.428
tors. eta vs tors. theta energy: -30.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -881.692597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.692597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.692597 (E_RNA)
where:
Base-Base interactions energy: -442.105
where: short stacking energy: -264.672
Base-Backbone interact. energy: -3.285
local terms energy: -436.302912
where:
bonds (distance) C4'-P energy: -97.637
bonds (distance) P-C4' energy: -144.472
flat angles C4'-P-C4' energy: -112.368
flat angles P-C4'-P energy: -46.201
tors. eta vs tors. theta energy: -35.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -738.224988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.224988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.224988 (E_RNA)
where:
Base-Base interactions energy: -360.632
where: short stacking energy: -226.497
Base-Backbone interact. energy: -0.861
local terms energy: -376.731976
where:
bonds (distance) C4'-P energy: -101.630
bonds (distance) P-C4' energy: -119.098
flat angles C4'-P-C4' energy: -110.929
flat angles P-C4'-P energy: -52.935
tors. eta vs tors. theta energy: 7.860
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: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2175.461921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.461921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.461921 (E_RNA)
where:
Base-Base interactions energy: -1447.990
where: short stacking energy: -668.070
Base-Backbone interact. energy: -5.673
local terms energy: -721.799389
where:
bonds (distance) C4'-P energy: -138.619
bonds (distance) P-C4' energy: -145.743
flat angles C4'-P-C4' energy: -164.716
flat angles P-C4'-P energy: -93.646
tors. eta vs tors. theta energy: -179.076
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2051.274592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.274592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.274592 (E_RNA)
where:
Base-Base interactions energy: -1330.151
where: short stacking energy: -632.640
Base-Backbone interact. energy: -4.705
local terms energy: -716.418580
where:
bonds (distance) C4'-P energy: -149.511
bonds (distance) P-C4' energy: -143.487
flat angles C4'-P-C4' energy: -161.582
flat angles P-C4'-P energy: -93.865
tors. eta vs tors. theta energy: -167.974
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1997.387059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.387059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.387059 (E_RNA)
where:
Base-Base interactions energy: -1295.750
where: short stacking energy: -636.282
Base-Backbone interact. energy: -3.339
local terms energy: -698.297817
where:
bonds (distance) C4'-P energy: -125.339
bonds (distance) P-C4' energy: -138.798
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -96.102
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: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1884.351680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.351680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.351680 (E_RNA)
where:
Base-Base interactions energy: -1285.568
where: short stacking energy: -524.239
Base-Backbone interact. energy: -5.060
local terms energy: -593.723258
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -150.300
flat angles C4'-P-C4' energy: -133.423
flat angles P-C4'-P energy: -82.095
tors. eta vs tors. theta energy: -117.291
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: 44
Temperature: 1.100000
Total energy: -1719.249673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.249673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.249673 (E_RNA)
where:
Base-Base interactions energy: -1125.780
where: short stacking energy: -529.060
Base-Backbone interact. energy: -2.038
local terms energy: -591.431356
where:
bonds (distance) C4'-P energy: -121.315
bonds (distance) P-C4' energy: -126.804
flat angles C4'-P-C4' energy: -146.510
flat angles P-C4'-P energy: -71.487
tors. eta vs tors. theta energy: -125.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1567.288931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.288931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.288931 (E_RNA)
where:
Base-Base interactions energy: -1042.782
where: short stacking energy: -464.714
Base-Backbone interact. energy: -0.597
local terms energy: -523.909482
where:
bonds (distance) C4'-P energy: -104.299
bonds (distance) P-C4' energy: -131.742
flat angles C4'-P-C4' energy: -121.452
flat angles P-C4'-P energy: -83.735
tors. eta vs tors. theta energy: -82.681
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: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1180.820462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.820462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.820462 (E_RNA)
where:
Base-Base interactions energy: -703.504
where: short stacking energy: -353.606
Base-Backbone interact. energy: 1.138
local terms energy: -478.454437
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -124.671
flat angles C4'-P-C4' energy: -101.827
flat angles P-C4'-P energy: -72.539
tors. eta vs tors. theta energy: -61.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1099.865795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.865795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.865795 (E_RNA)
where:
Base-Base interactions energy: -618.669
where: short stacking energy: -336.667
Base-Backbone interact. energy: 0.297
local terms energy: -481.493953
where:
bonds (distance) C4'-P energy: -111.304
bonds (distance) P-C4' energy: -127.288
flat angles C4'-P-C4' energy: -116.460
flat angles P-C4'-P energy: -70.137
tors. eta vs tors. theta energy: -56.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -835.980388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.980388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.980388 (E_RNA)
where:
Base-Base interactions energy: -422.991
where: short stacking energy: -235.749
Base-Backbone interact. energy: -1.021
local terms energy: -411.968709
where:
bonds (distance) C4'-P energy: -121.052
bonds (distance) P-C4' energy: -118.197
flat angles C4'-P-C4' energy: -94.933
flat angles P-C4'-P energy: -63.161
tors. eta vs tors. theta energy: -14.626
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: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -753.949147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.949147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.949147 (E_RNA)
where:
Base-Base interactions energy: -380.477
where: short stacking energy: -227.345
Base-Backbone interact. energy: -4.842
local terms energy: -368.630862
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -124.644
flat angles C4'-P-C4' energy: -87.195
flat angles P-C4'-P energy: -61.305
tors. eta vs tors. theta energy: 9.902
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: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2171.873526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.873526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.873526 (E_RNA)
where:
Base-Base interactions energy: -1455.874
where: short stacking energy: -670.092
Base-Backbone interact. energy: -1.402
local terms energy: -714.597670
where:
bonds (distance) C4'-P energy: -148.305
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -152.746
flat angles P-C4'-P energy: -104.265
tors. eta vs tors. theta energy: -174.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2068.303645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.303645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.303645 (E_RNA)
where:
Base-Base interactions energy: -1361.904
where: short stacking energy: -616.082
Base-Backbone interact. energy: -2.067
local terms energy: -704.332179
where:
bonds (distance) C4'-P energy: -124.325
bonds (distance) P-C4' energy: -145.333
flat angles C4'-P-C4' energy: -160.849
flat angles P-C4'-P energy: -100.373
tors. eta vs tors. theta energy: -173.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1975.854081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.854081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.854081 (E_RNA)
where:
Base-Base interactions energy: -1298.637
where: short stacking energy: -617.664
Base-Backbone interact. energy: -0.932
local terms energy: -676.285249
where:
bonds (distance) C4'-P energy: -133.676
bonds (distance) P-C4' energy: -133.913
flat angles C4'-P-C4' energy: -154.100
flat angles P-C4'-P energy: -89.321
tors. eta vs tors. theta energy: -165.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1962.741268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.741268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.741268 (E_RNA)
where:
Base-Base interactions energy: -1307.436
where: short stacking energy: -566.924
Base-Backbone interact. energy: -0.855
local terms energy: -654.450502
where:
bonds (distance) C4'-P energy: -128.304
bonds (distance) P-C4' energy: -130.725
flat angles C4'-P-C4' energy: -144.549
flat angles P-C4'-P energy: -99.664
tors. eta vs tors. theta energy: -151.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1706.969254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.969254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.969254 (E_RNA)
where:
Base-Base interactions energy: -1104.654
where: short stacking energy: -490.044
Base-Backbone interact. energy: -0.971
local terms energy: -601.344217
where:
bonds (distance) C4'-P energy: -142.114
bonds (distance) P-C4' energy: -109.303
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -90.346
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: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1710.397818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.397818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.397818 (E_RNA)
where:
Base-Base interactions energy: -1131.102
where: short stacking energy: -486.072
Base-Backbone interact. energy: 7.507
local terms energy: -586.802134
where:
bonds (distance) C4'-P energy: -106.642
bonds (distance) P-C4' energy: -132.954
flat angles C4'-P-C4' energy: -144.857
flat angles P-C4'-P energy: -92.385
tors. eta vs tors. theta energy: -109.963
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: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1247.662645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.662645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.662645 (E_RNA)
where:
Base-Base interactions energy: -720.363
where: short stacking energy: -357.106
Base-Backbone interact. energy: -4.922
local terms energy: -522.377923
where:
bonds (distance) C4'-P energy: -124.045
bonds (distance) P-C4' energy: -129.022
flat angles C4'-P-C4' energy: -121.201
flat angles P-C4'-P energy: -88.721
tors. eta vs tors. theta energy: -59.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1101.397944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.397944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.397944 (E_RNA)
where:
Base-Base interactions energy: -655.359
where: short stacking energy: -344.297
Base-Backbone interact. energy: -0.774
local terms energy: -445.265401
where:
bonds (distance) C4'-P energy: -95.711
bonds (distance) P-C4' energy: -118.887
flat angles C4'-P-C4' energy: -107.752
flat angles P-C4'-P energy: -70.149
tors. eta vs tors. theta energy: -52.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -829.935403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.935403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.935403 (E_RNA)
where:
Base-Base interactions energy: -439.322
where: short stacking energy: -206.242
Base-Backbone interact. energy: -1.828
local terms energy: -388.785084
where:
bonds (distance) C4'-P energy: -101.406
bonds (distance) P-C4' energy: -123.721
flat angles C4'-P-C4' energy: -112.203
flat angles P-C4'-P energy: -53.407
tors. eta vs tors. theta energy: 1.952
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: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -724.689134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.689134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.689134 (E_RNA)
where:
Base-Base interactions energy: -355.825
where: short stacking energy: -209.569
Base-Backbone interact. energy: 1.769
local terms energy: -370.632661
where:
bonds (distance) C4'-P energy: -126.787
bonds (distance) P-C4' energy: -102.094
flat angles C4'-P-C4' energy: -93.530
flat angles P-C4'-P energy: -61.950
tors. eta vs tors. theta energy: 13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2173.505086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.505086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.505086 (E_RNA)
where:
Base-Base interactions energy: -1448.047
where: short stacking energy: -656.350
Base-Backbone interact. energy: -2.704
local terms energy: -722.754864
where:
bonds (distance) C4'-P energy: -121.985
bonds (distance) P-C4' energy: -149.181
flat angles C4'-P-C4' energy: -168.712
flat angles P-C4'-P energy: -98.104
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: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2090.872865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.872865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.872865 (E_RNA)
where:
Base-Base interactions energy: -1369.674
where: short stacking energy: -621.944
Base-Backbone interact. energy: -4.919
local terms energy: -716.279241
where:
bonds (distance) C4'-P energy: -139.091
bonds (distance) P-C4' energy: -149.499
flat angles C4'-P-C4' energy: -145.142
flat angles P-C4'-P energy: -110.771
tors. eta vs tors. theta energy: -171.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1983.557437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.557437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.557437 (E_RNA)
where:
Base-Base interactions energy: -1277.546
where: short stacking energy: -588.674
Base-Backbone interact. energy: -1.084
local terms energy: -704.928208
where:
bonds (distance) C4'-P energy: -142.871
bonds (distance) P-C4' energy: -141.410
flat angles C4'-P-C4' energy: -152.020
flat angles P-C4'-P energy: -101.876
tors. eta vs tors. theta energy: -166.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1976.971932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.971932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.971932 (E_RNA)
where:
Base-Base interactions energy: -1316.438
where: short stacking energy: -583.989
Base-Backbone interact. energy: -4.341
local terms energy: -656.193758
where:
bonds (distance) C4'-P energy: -138.871
bonds (distance) P-C4' energy: -131.568
flat angles C4'-P-C4' energy: -157.997
flat angles P-C4'-P energy: -84.895
tors. eta vs tors. theta energy: -142.863
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: 46
Temperature: 1.100000
Total energy: -1724.959204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.959204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.959204 (E_RNA)
where:
Base-Base interactions energy: -1136.291
where: short stacking energy: -494.361
Base-Backbone interact. energy: -1.011
local terms energy: -587.657154
where:
bonds (distance) C4'-P energy: -127.078
bonds (distance) P-C4' energy: -130.935
flat angles C4'-P-C4' energy: -128.380
flat angles P-C4'-P energy: -77.111
tors. eta vs tors. theta energy: -124.154
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: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1594.152367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.152367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.152367 (E_RNA)
where:
Base-Base interactions energy: -1049.838
where: short stacking energy: -451.170
Base-Backbone interact. energy: 1.256
local terms energy: -545.570902
where:
bonds (distance) C4'-P energy: -117.363
bonds (distance) P-C4' energy: -128.512
flat angles C4'-P-C4' energy: -140.555
flat angles P-C4'-P energy: -62.679
tors. eta vs tors. theta energy: -96.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1286.841315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.841315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.841315 (E_RNA)
where:
Base-Base interactions energy: -760.964
where: short stacking energy: -368.948
Base-Backbone interact. energy: -2.615
local terms energy: -523.262670
where:
bonds (distance) C4'-P energy: -118.278
bonds (distance) P-C4' energy: -135.784
flat angles C4'-P-C4' energy: -132.036
flat angles P-C4'-P energy: -62.866
tors. eta vs tors. theta energy: -74.298
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: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1059.841549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.841549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.841549 (E_RNA)
where:
Base-Base interactions energy: -610.016
where: short stacking energy: -281.463
Base-Backbone interact. energy: 1.789
local terms energy: -451.615002
where:
bonds (distance) C4'-P energy: -111.928
bonds (distance) P-C4' energy: -118.594
flat angles C4'-P-C4' energy: -114.099
flat angles P-C4'-P energy: -72.863
tors. eta vs tors. theta energy: -34.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -882.580372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.580372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.580372 (E_RNA)
where:
Base-Base interactions energy: -497.370
where: short stacking energy: -276.989
Base-Backbone interact. energy: -2.874
local terms energy: -382.336462
where:
bonds (distance) C4'-P energy: -122.046
bonds (distance) P-C4' energy: -92.491
flat angles C4'-P-C4' energy: -103.508
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -727.967366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.967366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.967366 (E_RNA)
where:
Base-Base interactions energy: -341.518
where: short stacking energy: -217.234
Base-Backbone interact. energy: -1.194
local terms energy: -385.255479
where:
bonds (distance) C4'-P energy: -90.619
bonds (distance) P-C4' energy: -120.386
flat angles C4'-P-C4' energy: -99.504
flat angles P-C4'-P energy: -82.640
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: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2167.824409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.824409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.824409 (E_RNA)
where:
Base-Base interactions energy: -1426.975
where: short stacking energy: -663.604
Base-Backbone interact. energy: -4.394
local terms energy: -736.455521
where:
bonds (distance) C4'-P energy: -141.469
bonds (distance) P-C4' energy: -145.339
flat angles C4'-P-C4' energy: -164.480
flat angles P-C4'-P energy: -96.555
tors. eta vs tors. theta energy: -188.613
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: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2098.856460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.856460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.856460 (E_RNA)
where:
Base-Base interactions energy: -1386.227
where: short stacking energy: -608.876
Base-Backbone interact. energy: -2.407
local terms energy: -710.222888
where:
bonds (distance) C4'-P energy: -148.509
bonds (distance) P-C4' energy: -144.916
flat angles C4'-P-C4' energy: -148.789
flat angles P-C4'-P energy: -101.959
tors. eta vs tors. theta energy: -166.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1961.062511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.062511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.062511 (E_RNA)
where:
Base-Base interactions energy: -1310.485
where: short stacking energy: -603.876
Base-Backbone interact. energy: -2.473
local terms energy: -648.104787
where:
bonds (distance) C4'-P energy: -123.499
bonds (distance) P-C4' energy: -131.549
flat angles C4'-P-C4' energy: -151.625
flat angles P-C4'-P energy: -85.454
tors. eta vs tors. theta energy: -155.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1992.943077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.943077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.943077 (E_RNA)
where:
Base-Base interactions energy: -1352.009
where: short stacking energy: -615.070
Base-Backbone interact. energy: 0.193
local terms energy: -641.126912
where:
bonds (distance) C4'-P energy: -133.071
bonds (distance) P-C4' energy: -125.199
flat angles C4'-P-C4' energy: -139.715
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -161.866
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1832.075809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.075809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.075809 (E_RNA)
where:
Base-Base interactions energy: -1209.686
where: short stacking energy: -552.488
Base-Backbone interact. energy: -0.891
local terms energy: -621.498835
where:
bonds (distance) C4'-P energy: -123.942
bonds (distance) P-C4' energy: -136.411
flat angles C4'-P-C4' energy: -132.483
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -147.894
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: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1569.129757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.129757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.129757 (E_RNA)
where:
Base-Base interactions energy: -1055.067
where: short stacking energy: -446.641
Base-Backbone interact. energy: 1.419
local terms energy: -515.481440
where:
bonds (distance) C4'-P energy: -106.118
bonds (distance) P-C4' energy: -115.212
flat angles C4'-P-C4' energy: -126.424
flat angles P-C4'-P energy: -86.662
tors. eta vs tors. theta energy: -81.065
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: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1232.785947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.785947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.785947 (E_RNA)
where:
Base-Base interactions energy: -729.864
where: short stacking energy: -332.683
Base-Backbone interact. energy: -1.536
local terms energy: -501.385932
where:
bonds (distance) C4'-P energy: -120.121
bonds (distance) P-C4' energy: -126.247
flat angles C4'-P-C4' energy: -136.408
flat angles P-C4'-P energy: -63.667
tors. eta vs tors. theta energy: -54.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1000.391637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.391637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.391637 (E_RNA)
where:
Base-Base interactions energy: -542.880
where: short stacking energy: -293.713
Base-Backbone interact. energy: -1.681
local terms energy: -455.831151
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -124.964
flat angles C4'-P-C4' energy: -104.727
flat angles P-C4'-P energy: -74.588
tors. eta vs tors. theta energy: -37.316
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: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -976.457012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.457012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.457012 (E_RNA)
where:
Base-Base interactions energy: -566.129
where: short stacking energy: -312.482
Base-Backbone interact. energy: -0.215
local terms energy: -410.113203
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -120.491
flat angles C4'-P-C4' energy: -100.745
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -35.852
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: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -733.579581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.579581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.579581 (E_RNA)
where:
Base-Base interactions energy: -361.846
where: short stacking energy: -208.172
Base-Backbone interact. energy: 0.965
local terms energy: -372.699213
where:
bonds (distance) C4'-P energy: -116.902
bonds (distance) P-C4' energy: -119.113
flat angles C4'-P-C4' energy: -107.351
flat angles P-C4'-P energy: -40.301
tors. eta vs tors. theta energy: 10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2192.447383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.447383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.447383 (E_RNA)
where:
Base-Base interactions energy: -1470.031
where: short stacking energy: -689.640
Base-Backbone interact. energy: -1.516
local terms energy: -720.900427
where:
bonds (distance) C4'-P energy: -136.568
bonds (distance) P-C4' energy: -132.028
flat angles C4'-P-C4' energy: -156.095
flat angles P-C4'-P energy: -97.709
tors. eta vs tors. theta energy: -198.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2099.624725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.624725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.624725 (E_RNA)
where:
Base-Base interactions energy: -1397.697
where: short stacking energy: -634.860
Base-Backbone interact. energy: -2.068
local terms energy: -699.860305
where:
bonds (distance) C4'-P energy: -141.138
bonds (distance) P-C4' energy: -143.029
flat angles C4'-P-C4' energy: -148.800
flat angles P-C4'-P energy: -88.351
tors. eta vs tors. theta energy: -178.543
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: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2005.784858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.784858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.784858 (E_RNA)
where:
Base-Base interactions energy: -1338.218
where: short stacking energy: -557.455
Base-Backbone interact. energy: 0.949
local terms energy: -668.515895
where:
bonds (distance) C4'-P energy: -127.303
bonds (distance) P-C4' energy: -141.587
flat angles C4'-P-C4' energy: -145.000
flat angles P-C4'-P energy: -102.516
tors. eta vs tors. theta energy: -152.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1879.637003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.637003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.637003 (E_RNA)
where:
Base-Base interactions energy: -1216.528
where: short stacking energy: -592.000
Base-Backbone interact. energy: -1.708
local terms energy: -661.401470
where:
bonds (distance) C4'-P energy: -138.774
bonds (distance) P-C4' energy: -124.988
flat angles C4'-P-C4' energy: -145.794
flat angles P-C4'-P energy: -93.581
tors. eta vs tors. theta energy: -158.265
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: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1829.613435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.613435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.613435 (E_RNA)
where:
Base-Base interactions energy: -1220.809
where: short stacking energy: -530.941
Base-Backbone interact. energy: -5.313
local terms energy: -603.491389
where:
bonds (distance) C4'-P energy: -135.328
bonds (distance) P-C4' energy: -135.878
flat angles C4'-P-C4' energy: -137.210
flat angles P-C4'-P energy: -70.182
tors. eta vs tors. theta energy: -124.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1512.003983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.003983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.003983 (E_RNA)
where:
Base-Base interactions energy: -961.289
where: short stacking energy: -444.071
Base-Backbone interact. energy: -2.181
local terms energy: -548.534787
where:
bonds (distance) C4'-P energy: -134.366
bonds (distance) P-C4' energy: -114.264
flat angles C4'-P-C4' energy: -134.905
flat angles P-C4'-P energy: -69.990
tors. eta vs tors. theta energy: -95.010
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: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1252.581755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.581755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.581755 (E_RNA)
where:
Base-Base interactions energy: -724.569
where: short stacking energy: -367.670
Base-Backbone interact. energy: -2.340
local terms energy: -525.672714
where:
bonds (distance) C4'-P energy: -109.969
bonds (distance) P-C4' energy: -136.684
flat angles C4'-P-C4' energy: -143.802
flat angles P-C4'-P energy: -73.675
tors. eta vs tors. theta energy: -61.544
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: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1016.718282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.718282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.718282 (E_RNA)
where:
Base-Base interactions energy: -555.406
where: short stacking energy: -313.940
Base-Backbone interact. energy: -0.299
local terms energy: -461.013256
where:
bonds (distance) C4'-P energy: -105.404
bonds (distance) P-C4' energy: -116.488
flat angles C4'-P-C4' energy: -115.220
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -43.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -975.536312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.536312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.536312 (E_RNA)
where:
Base-Base interactions energy: -546.947
where: short stacking energy: -269.339
Base-Backbone interact. energy: 0.638
local terms energy: -429.226756
where:
bonds (distance) C4'-P energy: -123.465
bonds (distance) P-C4' energy: -121.295
flat angles C4'-P-C4' energy: -103.837
flat angles P-C4'-P energy: -66.569
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -805.573968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.573968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.573968 (E_RNA)
where:
Base-Base interactions energy: -414.293
where: short stacking energy: -207.187
Base-Backbone interact. energy: -2.174
local terms energy: -389.106997
where:
bonds (distance) C4'-P energy: -122.345
bonds (distance) P-C4' energy: -103.280
flat angles C4'-P-C4' energy: -109.330
flat angles P-C4'-P energy: -52.243
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2172.025436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.025436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.025436 (E_RNA)
where:
Base-Base interactions energy: -1438.214
where: short stacking energy: -672.816
Base-Backbone interact. energy: -2.954
local terms energy: -730.857202
where:
bonds (distance) C4'-P energy: -147.287
bonds (distance) P-C4' energy: -150.756
flat angles C4'-P-C4' energy: -154.115
flat angles P-C4'-P energy: -95.707
tors. eta vs tors. theta energy: -182.992
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: 49
Temperature: 0.950000
Total energy: -2158.961242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.961242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.961242 (E_RNA)
where:
Base-Base interactions energy: -1466.740
where: short stacking energy: -646.365
Base-Backbone interact. energy: -2.448
local terms energy: -689.773434
where:
bonds (distance) C4'-P energy: -134.121
bonds (distance) P-C4' energy: -133.119
flat angles C4'-P-C4' energy: -149.987
flat angles P-C4'-P energy: -107.889
tors. eta vs tors. theta energy: -164.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2066.166023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.166023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.166023 (E_RNA)
where:
Base-Base interactions energy: -1406.614
where: short stacking energy: -633.916
Base-Backbone interact. energy: -3.326
local terms energy: -656.225465
where:
bonds (distance) C4'-P energy: -127.953
bonds (distance) P-C4' energy: -119.152
flat angles C4'-P-C4' energy: -160.280
flat angles P-C4'-P energy: -95.308
tors. eta vs tors. theta energy: -153.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1892.862562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.862562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.862562 (E_RNA)
where:
Base-Base interactions energy: -1249.562
where: short stacking energy: -598.761
Base-Backbone interact. energy: -3.066
local terms energy: -640.235050
where:
bonds (distance) C4'-P energy: -129.260
bonds (distance) P-C4' energy: -120.131
flat angles C4'-P-C4' energy: -147.705
flat angles P-C4'-P energy: -81.807
tors. eta vs tors. theta energy: -161.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1830.398081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.398081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.398081 (E_RNA)
where:
Base-Base interactions energy: -1231.688
where: short stacking energy: -535.258
Base-Backbone interact. energy: -3.170
local terms energy: -595.539764
where:
bonds (distance) C4'-P energy: -110.460
bonds (distance) P-C4' energy: -136.606
flat angles C4'-P-C4' energy: -138.214
flat angles P-C4'-P energy: -85.763
tors. eta vs tors. theta energy: -124.496
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1558.791214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.791214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.791214 (E_RNA)
where:
Base-Base interactions energy: -1020.820
where: short stacking energy: -441.860
Base-Backbone interact. energy: 0.942
local terms energy: -538.913350
where:
bonds (distance) C4'-P energy: -119.144
bonds (distance) P-C4' energy: -130.347
flat angles C4'-P-C4' energy: -131.312
flat angles P-C4'-P energy: -64.274
tors. eta vs tors. theta energy: -93.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1175.852262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.852262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.852262 (E_RNA)
where:
Base-Base interactions energy: -704.166
where: short stacking energy: -345.623
Base-Backbone interact. energy: 0.190
local terms energy: -471.876078
where:
bonds (distance) C4'-P energy: -120.085
bonds (distance) P-C4' energy: -115.255
flat angles C4'-P-C4' energy: -129.369
flat angles P-C4'-P energy: -63.614
tors. eta vs tors. theta energy: -43.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1178.327026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.327026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.327026 (E_RNA)
where:
Base-Base interactions energy: -683.760
where: short stacking energy: -320.774
Base-Backbone interact. energy: -1.591
local terms energy: -492.976379
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -143.181
flat angles C4'-P-C4' energy: -105.325
flat angles P-C4'-P energy: -87.098
tors. eta vs tors. theta energy: -47.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -945.939543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.939543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.939543 (E_RNA)
where:
Base-Base interactions energy: -522.278
where: short stacking energy: -280.837
Base-Backbone interact. energy: 0.639
local terms energy: -424.300718
where:
bonds (distance) C4'-P energy: -97.662
bonds (distance) P-C4' energy: -112.150
flat angles C4'-P-C4' energy: -118.269
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: -30.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -855.226083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.226083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.226083 (E_RNA)
where:
Base-Base interactions energy: -462.296
where: short stacking energy: -238.806
Base-Backbone interact. energy: 2.156
local terms energy: -395.086717
where:
bonds (distance) C4'-P energy: -112.137
bonds (distance) P-C4' energy: -115.351
flat angles C4'-P-C4' energy: -97.906
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: -9.662
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: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2191.833208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.833208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.833208 (E_RNA)
where:
Base-Base interactions energy: -1473.409
where: short stacking energy: -696.714
Base-Backbone interact. energy: -2.985
local terms energy: -715.439442
where:
bonds (distance) C4'-P energy: -137.019
bonds (distance) P-C4' energy: -141.552
flat angles C4'-P-C4' energy: -157.296
flat angles P-C4'-P energy: -98.683
tors. eta vs tors. theta energy: -180.889
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: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2136.628345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.628345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.628345 (E_RNA)
where:
Base-Base interactions energy: -1449.493
where: short stacking energy: -646.806
Base-Backbone interact. energy: -4.094
local terms energy: -683.041051
where:
bonds (distance) C4'-P energy: -144.212
bonds (distance) P-C4' energy: -127.644
flat angles C4'-P-C4' energy: -148.426
flat angles P-C4'-P energy: -94.561
tors. eta vs tors. theta energy: -168.198
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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2051.345592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.345592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.345592 (E_RNA)
where:
Base-Base interactions energy: -1371.628
where: short stacking energy: -611.712
Base-Backbone interact. energy: 4.267
local terms energy: -683.984242
where:
bonds (distance) C4'-P energy: -139.550
bonds (distance) P-C4' energy: -144.002
flat angles C4'-P-C4' energy: -160.157
flat angles P-C4'-P energy: -88.502
tors. eta vs tors. theta energy: -151.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1913.811822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.811822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.811822 (E_RNA)
where:
Base-Base interactions energy: -1226.079
where: short stacking energy: -587.685
Base-Backbone interact. energy: -5.263
local terms energy: -682.469803
where:
bonds (distance) C4'-P energy: -141.318
bonds (distance) P-C4' energy: -126.863
flat angles C4'-P-C4' energy: -153.252
flat angles P-C4'-P energy: -98.644
tors. eta vs tors. theta energy: -162.392
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: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1787.666304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.666304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.666304 (E_RNA)
where:
Base-Base interactions energy: -1192.429
where: short stacking energy: -529.290
Base-Backbone interact. energy: -1.539
local terms energy: -593.698270
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -120.048
flat angles C4'-P-C4' energy: -135.705
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -137.042
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: 50
Temperature: 1.150000
Total energy: -1528.259035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.259035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.259035 (E_RNA)
where:
Base-Base interactions energy: -966.237
where: short stacking energy: -443.435
Base-Backbone interact. energy: -1.541
local terms energy: -560.480895
where:
bonds (distance) C4'-P energy: -120.031
bonds (distance) P-C4' energy: -129.714
flat angles C4'-P-C4' energy: -129.216
flat angles P-C4'-P energy: -81.891
tors. eta vs tors. theta energy: -99.629
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: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1308.763206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.763206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.763206 (E_RNA)
where:
Base-Base interactions energy: -799.610
where: short stacking energy: -418.004
Base-Backbone interact. energy: -0.150
local terms energy: -509.004037
where:
bonds (distance) C4'-P energy: -113.036
bonds (distance) P-C4' energy: -117.478
flat angles C4'-P-C4' energy: -136.194
flat angles P-C4'-P energy: -68.436
tors. eta vs tors. theta energy: -73.860
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: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1134.188530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.188530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.188530 (E_RNA)
where:
Base-Base interactions energy: -652.141
where: short stacking energy: -303.445
Base-Backbone interact. energy: -0.233
local terms energy: -481.815029
where:
bonds (distance) C4'-P energy: -119.235
bonds (distance) P-C4' energy: -136.949
flat angles C4'-P-C4' energy: -106.225
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: -49.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1010.955681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.955681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.955681 (E_RNA)
where:
Base-Base interactions energy: -576.369
where: short stacking energy: -306.021
Base-Backbone interact. energy: 3.773
local terms energy: -438.359423
where:
bonds (distance) C4'-P energy: -124.928
bonds (distance) P-C4' energy: -102.689
flat angles C4'-P-C4' energy: -114.572
flat angles P-C4'-P energy: -51.615
tors. eta vs tors. theta energy: -44.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -912.801032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.801032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.801032 (E_RNA)
where:
Base-Base interactions energy: -501.335
where: short stacking energy: -255.495
Base-Backbone interact. energy: -2.600
local terms energy: -408.865307
where:
bonds (distance) C4'-P energy: -124.607
bonds (distance) P-C4' energy: -125.369
flat angles C4'-P-C4' energy: -87.121
flat angles P-C4'-P energy: -51.949
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2183.987290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.987290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.987290 (E_RNA)
where:
Base-Base interactions energy: -1471.515
where: short stacking energy: -665.336
Base-Backbone interact. energy: -7.512
local terms energy: -704.960255
where:
bonds (distance) C4'-P energy: -143.087
bonds (distance) P-C4' energy: -134.345
flat angles C4'-P-C4' energy: -149.866
flat angles P-C4'-P energy: -97.545
tors. eta vs tors. theta energy: -180.118
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: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2132.469387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.469387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.469387 (E_RNA)
where:
Base-Base interactions energy: -1430.290
where: short stacking energy: -636.456
Base-Backbone interact. energy: 0.450
local terms energy: -702.629465
where:
bonds (distance) C4'-P energy: -131.989
bonds (distance) P-C4' energy: -141.397
flat angles C4'-P-C4' energy: -159.652
flat angles P-C4'-P energy: -88.003
tors. eta vs tors. theta energy: -181.588
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: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2026.412580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.412580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.412580 (E_RNA)
where:
Base-Base interactions energy: -1367.329
where: short stacking energy: -598.686
Base-Backbone interact. energy: -1.606
local terms energy: -657.477717
where:
bonds (distance) C4'-P energy: -150.696
bonds (distance) P-C4' energy: -126.288
flat angles C4'-P-C4' energy: -135.577
flat angles P-C4'-P energy: -90.303
tors. eta vs tors. theta energy: -154.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1918.170749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.170749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.170749 (E_RNA)
where:
Base-Base interactions energy: -1262.044
where: short stacking energy: -586.623
Base-Backbone interact. energy: -3.606
local terms energy: -652.520681
where:
bonds (distance) C4'-P energy: -133.105
bonds (distance) P-C4' energy: -119.618
flat angles C4'-P-C4' energy: -151.790
flat angles P-C4'-P energy: -89.937
tors. eta vs tors. theta energy: -158.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1819.568356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.568356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.568356 (E_RNA)
where:
Base-Base interactions energy: -1212.586
where: short stacking energy: -535.939
Base-Backbone interact. energy: -4.802
local terms energy: -602.180123
where:
bonds (distance) C4'-P energy: -122.103
bonds (distance) P-C4' energy: -131.703
flat angles C4'-P-C4' energy: -134.119
flat angles P-C4'-P energy: -75.636
tors. eta vs tors. theta energy: -138.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1569.623578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.623578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.623578 (E_RNA)
where:
Base-Base interactions energy: -1025.491
where: short stacking energy: -443.802
Base-Backbone interact. energy: -3.493
local terms energy: -540.638977
where:
bonds (distance) C4'-P energy: -119.173
bonds (distance) P-C4' energy: -124.976
flat angles C4'-P-C4' energy: -123.178
flat angles P-C4'-P energy: -86.035
tors. eta vs tors. theta energy: -87.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1312.896831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.896831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.896831 (E_RNA)
where:
Base-Base interactions energy: -800.796
where: short stacking energy: -390.289
Base-Backbone interact. energy: 0.913
local terms energy: -513.013240
where:
bonds (distance) C4'-P energy: -107.266
bonds (distance) P-C4' energy: -114.964
flat angles C4'-P-C4' energy: -129.490
flat angles P-C4'-P energy: -83.076
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1124.275195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.275195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.275195 (E_RNA)
where:
Base-Base interactions energy: -654.780
where: short stacking energy: -294.226
Base-Backbone interact. energy: 0.066
local terms energy: -469.561580
where:
bonds (distance) C4'-P energy: -113.188
bonds (distance) P-C4' energy: -104.682
flat angles C4'-P-C4' energy: -123.148
flat angles P-C4'-P energy: -80.760
tors. eta vs tors. theta energy: -47.784
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: 51
Temperature: 1.300000
Total energy: -965.409569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.409569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.409569 (E_RNA)
where:
Base-Base interactions energy: -541.199
where: short stacking energy: -274.632
Base-Backbone interact. energy: 0.256
local terms energy: -424.466182
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -136.058
flat angles C4'-P-C4' energy: -95.337
flat angles P-C4'-P energy: -58.338
tors. eta vs tors. theta energy: -21.692
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: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -871.700421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.700421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.700421 (E_RNA)
where:
Base-Base interactions energy: -487.493
where: short stacking energy: -284.854
Base-Backbone interact. energy: -3.455
local terms energy: -380.753214
where:
bonds (distance) C4'-P energy: -105.620
bonds (distance) P-C4' energy: -109.052
flat angles C4'-P-C4' energy: -96.988
flat angles P-C4'-P energy: -56.740
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2203.844376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.844376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.844376 (E_RNA)
where:
Base-Base interactions energy: -1517.601
where: short stacking energy: -675.567
Base-Backbone interact. energy: -3.564
local terms energy: -682.679274
where:
bonds (distance) C4'-P energy: -132.126
bonds (distance) P-C4' energy: -140.937
flat angles C4'-P-C4' energy: -142.580
flat angles P-C4'-P energy: -96.655
tors. eta vs tors. theta energy: -170.381
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: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2128.076706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.076706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.076706 (E_RNA)
where:
Base-Base interactions energy: -1430.566
where: short stacking energy: -656.351
Base-Backbone interact. energy: -4.247
local terms energy: -693.263104
where:
bonds (distance) C4'-P energy: -129.158
bonds (distance) P-C4' energy: -144.633
flat angles C4'-P-C4' energy: -152.297
flat angles P-C4'-P energy: -89.226
tors. eta vs tors. theta energy: -177.949
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2001.768355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.768355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.768355 (E_RNA)
where:
Base-Base interactions energy: -1326.397
where: short stacking energy: -588.709
Base-Backbone interact. energy: 0.824
local terms energy: -676.195469
where:
bonds (distance) C4'-P energy: -134.655
bonds (distance) P-C4' energy: -130.951
flat angles C4'-P-C4' energy: -152.514
flat angles P-C4'-P energy: -109.676
tors. eta vs tors. theta energy: -148.399
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: 52
Temperature: 1.050000
Total energy: -1975.187595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.187595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.187595 (E_RNA)
where:
Base-Base interactions energy: -1288.742
where: short stacking energy: -571.662
Base-Backbone interact. energy: -3.687
local terms energy: -682.757976
where:
bonds (distance) C4'-P energy: -137.556
bonds (distance) P-C4' energy: -128.397
flat angles C4'-P-C4' energy: -154.497
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -160.125
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: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1840.684757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.684757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.684757 (E_RNA)
where:
Base-Base interactions energy: -1242.509
where: short stacking energy: -535.621
Base-Backbone interact. energy: -2.106
local terms energy: -596.070586
where:
bonds (distance) C4'-P energy: -135.521
bonds (distance) P-C4' energy: -132.729
flat angles C4'-P-C4' energy: -121.307
flat angles P-C4'-P energy: -80.377
tors. eta vs tors. theta energy: -126.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1555.313564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.313564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.313564 (E_RNA)
where:
Base-Base interactions energy: -987.421
where: short stacking energy: -487.460
Base-Backbone interact. energy: -2.680
local terms energy: -565.212559
where:
bonds (distance) C4'-P energy: -106.945
bonds (distance) P-C4' energy: -132.700
flat angles C4'-P-C4' energy: -127.282
flat angles P-C4'-P energy: -85.397
tors. eta vs tors. theta energy: -112.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1313.712715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.712715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.712715 (E_RNA)
where:
Base-Base interactions energy: -826.243
where: short stacking energy: -380.278
Base-Backbone interact. energy: 1.493
local terms energy: -488.963324
where:
bonds (distance) C4'-P energy: -117.973
bonds (distance) P-C4' energy: -119.757
flat angles C4'-P-C4' energy: -114.318
flat angles P-C4'-P energy: -79.388
tors. eta vs tors. theta energy: -57.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1103.543262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.543262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.543262 (E_RNA)
where:
Base-Base interactions energy: -648.444
where: short stacking energy: -318.151
Base-Backbone interact. energy: -0.499
local terms energy: -454.600156
where:
bonds (distance) C4'-P energy: -119.363
bonds (distance) P-C4' energy: -115.716
flat angles C4'-P-C4' energy: -111.231
flat angles P-C4'-P energy: -55.913
tors. eta vs tors. theta energy: -52.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1016.692072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.692072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.692072 (E_RNA)
where:
Base-Base interactions energy: -567.956
where: short stacking energy: -285.794
Base-Backbone interact. energy: 1.635
local terms energy: -450.371870
where:
bonds (distance) C4'-P energy: -117.130
bonds (distance) P-C4' energy: -111.279
flat angles C4'-P-C4' energy: -105.716
flat angles P-C4'-P energy: -82.629
tors. eta vs tors. theta energy: -33.617
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: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -851.334307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.334307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.334307 (E_RNA)
where:
Base-Base interactions energy: -454.658
where: short stacking energy: -244.972
Base-Backbone interact. energy: -3.538
local terms energy: -393.138782
where:
bonds (distance) C4'-P energy: -102.694
bonds (distance) P-C4' energy: -125.659
flat angles C4'-P-C4' energy: -99.070
flat angles P-C4'-P energy: -65.775
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2225.824435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.824435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.824435 (E_RNA)
where:
Base-Base interactions energy: -1510.307
where: short stacking energy: -670.933
Base-Backbone interact. energy: -2.678
local terms energy: -712.839934
where:
bonds (distance) C4'-P energy: -125.804
bonds (distance) P-C4' energy: -143.792
flat angles C4'-P-C4' energy: -152.788
flat angles P-C4'-P energy: -107.636
tors. eta vs tors. theta energy: -182.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2133.314257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.314257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.314257 (E_RNA)
where:
Base-Base interactions energy: -1446.370
where: short stacking energy: -658.884
Base-Backbone interact. energy: 0.299
local terms energy: -687.243333
where:
bonds (distance) C4'-P energy: -128.887
bonds (distance) P-C4' energy: -116.930
flat angles C4'-P-C4' energy: -168.272
flat angles P-C4'-P energy: -99.157
tors. eta vs tors. theta energy: -173.998
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: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2026.941417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.941417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.941417 (E_RNA)
where:
Base-Base interactions energy: -1361.388
where: short stacking energy: -624.062
Base-Backbone interact. energy: 0.029
local terms energy: -665.582465
where:
bonds (distance) C4'-P energy: -121.146
bonds (distance) P-C4' energy: -148.130
flat angles C4'-P-C4' energy: -159.269
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -166.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1972.717821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.717821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.717821 (E_RNA)
where:
Base-Base interactions energy: -1307.347
where: short stacking energy: -592.198
Base-Backbone interact. energy: -0.486
local terms energy: -664.885006
where:
bonds (distance) C4'-P energy: -140.622
bonds (distance) P-C4' energy: -137.081
flat angles C4'-P-C4' energy: -132.232
flat angles P-C4'-P energy: -83.768
tors. eta vs tors. theta energy: -171.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1798.618698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.618698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.618698 (E_RNA)
where:
Base-Base interactions energy: -1201.991
where: short stacking energy: -537.328
Base-Backbone interact. energy: 8.016
local terms energy: -604.643467
where:
bonds (distance) C4'-P energy: -105.116
bonds (distance) P-C4' energy: -138.481
flat angles C4'-P-C4' energy: -147.365
flat angles P-C4'-P energy: -89.106
tors. eta vs tors. theta energy: -124.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1574.778915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.778915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.778915 (E_RNA)
where:
Base-Base interactions energy: -1017.237
where: short stacking energy: -472.409
Base-Backbone interact. energy: -2.104
local terms energy: -555.438133
where:
bonds (distance) C4'-P energy: -114.325
bonds (distance) P-C4' energy: -127.411
flat angles C4'-P-C4' energy: -132.264
flat angles P-C4'-P energy: -84.862
tors. eta vs tors. theta energy: -96.576
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: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1246.393883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.393883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.393883 (E_RNA)
where:
Base-Base interactions energy: -754.306
where: short stacking energy: -357.927
Base-Backbone interact. energy: -3.008
local terms energy: -489.080011
where:
bonds (distance) C4'-P energy: -117.021
bonds (distance) P-C4' energy: -124.815
flat angles C4'-P-C4' energy: -106.792
flat angles P-C4'-P energy: -86.728
tors. eta vs tors. theta energy: -53.725
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: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1127.237798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.237798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.237798 (E_RNA)
where:
Base-Base interactions energy: -650.537
where: short stacking energy: -355.669
Base-Backbone interact. energy: 1.671
local terms energy: -478.371737
where:
bonds (distance) C4'-P energy: -111.009
bonds (distance) P-C4' energy: -123.839
flat angles C4'-P-C4' energy: -122.525
flat angles P-C4'-P energy: -65.634
tors. eta vs tors. theta energy: -55.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1023.552002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.552002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.552002 (E_RNA)
where:
Base-Base interactions energy: -590.970
where: short stacking energy: -301.320
Base-Backbone interact. energy: -2.218
local terms energy: -430.363822
where:
bonds (distance) C4'-P energy: -112.866
bonds (distance) P-C4' energy: -123.692
flat angles C4'-P-C4' energy: -93.181
flat angles P-C4'-P energy: -61.022
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -896.101650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.101650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.101650 (E_RNA)
where:
Base-Base interactions energy: -495.581
where: short stacking energy: -235.344
Base-Backbone interact. energy: -0.511
local terms energy: -400.009864
where:
bonds (distance) C4'-P energy: -130.337
bonds (distance) P-C4' energy: -115.421
flat angles C4'-P-C4' energy: -91.233
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2232.859524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.859524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.859524 (E_RNA)
where:
Base-Base interactions energy: -1507.525
where: short stacking energy: -653.109
Base-Backbone interact. energy: -0.798
local terms energy: -724.536487
where:
bonds (distance) C4'-P energy: -140.206
bonds (distance) P-C4' energy: -136.594
flat angles C4'-P-C4' energy: -157.518
flat angles P-C4'-P energy: -105.896
tors. eta vs tors. theta energy: -184.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2119.578630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.578630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.578630 (E_RNA)
where:
Base-Base interactions energy: -1404.985
where: short stacking energy: -632.830
Base-Backbone interact. energy: -2.585
local terms energy: -712.008747
where:
bonds (distance) C4'-P energy: -144.396
bonds (distance) P-C4' energy: -159.930
flat angles C4'-P-C4' energy: -146.823
flat angles P-C4'-P energy: -100.717
tors. eta vs tors. theta energy: -160.142
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: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2065.555473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.555473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.555473 (E_RNA)
where:
Base-Base interactions energy: -1375.483
where: short stacking energy: -601.349
Base-Backbone interact. energy: -2.592
local terms energy: -687.480298
where:
bonds (distance) C4'-P energy: -127.292
bonds (distance) P-C4' energy: -129.174
flat angles C4'-P-C4' energy: -156.484
flat angles P-C4'-P energy: -102.151
tors. eta vs tors. theta energy: -172.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1979.656395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.656395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.656395 (E_RNA)
where:
Base-Base interactions energy: -1315.561
where: short stacking energy: -593.608
Base-Backbone interact. energy: -1.841
local terms energy: -662.254483
where:
bonds (distance) C4'-P energy: -135.641
bonds (distance) P-C4' energy: -129.516
flat angles C4'-P-C4' energy: -144.782
flat angles P-C4'-P energy: -87.798
tors. eta vs tors. theta energy: -164.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1866.844817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.844817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.844817 (E_RNA)
where:
Base-Base interactions energy: -1246.040
where: short stacking energy: -565.800
Base-Backbone interact. energy: 1.263
local terms energy: -622.068085
where:
bonds (distance) C4'-P energy: -132.462
bonds (distance) P-C4' energy: -127.131
flat angles C4'-P-C4' energy: -148.751
flat angles P-C4'-P energy: -72.271
tors. eta vs tors. theta energy: -141.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1620.242724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.242724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.242724 (E_RNA)
where:
Base-Base interactions energy: -1031.031
where: short stacking energy: -470.347
Base-Backbone interact. energy: -1.572
local terms energy: -587.640400
where:
bonds (distance) C4'-P energy: -124.772
bonds (distance) P-C4' energy: -130.871
flat angles C4'-P-C4' energy: -126.069
flat angles P-C4'-P energy: -87.703
tors. eta vs tors. theta energy: -118.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1285.032240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.032240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.032240 (E_RNA)
where:
Base-Base interactions energy: -771.636
where: short stacking energy: -354.496
Base-Backbone interact. energy: 4.313
local terms energy: -517.709657
where:
bonds (distance) C4'-P energy: -128.436
bonds (distance) P-C4' energy: -121.298
flat angles C4'-P-C4' energy: -124.840
flat angles P-C4'-P energy: -88.242
tors. eta vs tors. theta energy: -54.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1094.372521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.372521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.372521 (E_RNA)
where:
Base-Base interactions energy: -611.723
where: short stacking energy: -319.813
Base-Backbone interact. energy: -5.507
local terms energy: -477.142714
where:
bonds (distance) C4'-P energy: -135.867
bonds (distance) P-C4' energy: -119.054
flat angles C4'-P-C4' energy: -110.487
flat angles P-C4'-P energy: -72.997
tors. eta vs tors. theta energy: -38.738
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: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1051.925432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.925432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.925432 (E_RNA)
where:
Base-Base interactions energy: -599.059
where: short stacking energy: -311.009
Base-Backbone interact. energy: -0.472
local terms energy: -452.394637
where:
bonds (distance) C4'-P energy: -112.955
bonds (distance) P-C4' energy: -131.821
flat angles C4'-P-C4' energy: -108.631
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: -49.134
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: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -884.683316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.683316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.683316 (E_RNA)
where:
Base-Base interactions energy: -471.444
where: short stacking energy: -253.802
Base-Backbone interact. energy: 1.516
local terms energy: -414.755148
where:
bonds (distance) C4'-P energy: -105.749
bonds (distance) P-C4' energy: -116.999
flat angles C4'-P-C4' energy: -108.930
flat angles P-C4'-P energy: -55.221
tors. eta vs tors. theta energy: -27.857
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: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2267.477294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.477294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.477294 (E_RNA)
where:
Base-Base interactions energy: -1531.010
where: short stacking energy: -678.060
Base-Backbone interact. energy: -1.405
local terms energy: -735.062409
where:
bonds (distance) C4'-P energy: -141.204
bonds (distance) P-C4' energy: -137.468
flat angles C4'-P-C4' energy: -158.996
flat angles P-C4'-P energy: -101.273
tors. eta vs tors. theta energy: -196.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2146.080769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.080769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.080769 (E_RNA)
where:
Base-Base interactions energy: -1478.543
where: short stacking energy: -671.688
Base-Backbone interact. energy: -4.245
local terms energy: -663.293221
where:
bonds (distance) C4'-P energy: -126.513
bonds (distance) P-C4' energy: -125.111
flat angles C4'-P-C4' energy: -149.740
flat angles P-C4'-P energy: -85.203
tors. eta vs tors. theta energy: -176.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2050.272641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.272641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.272641 (E_RNA)
where:
Base-Base interactions energy: -1412.267
where: short stacking energy: -659.878
Base-Backbone interact. energy: -0.286
local terms energy: -637.719603
where:
bonds (distance) C4'-P energy: -130.998
bonds (distance) P-C4' energy: -128.633
flat angles C4'-P-C4' energy: -123.650
flat angles P-C4'-P energy: -90.806
tors. eta vs tors. theta energy: -163.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2023.201550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.201550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.201550 (E_RNA)
where:
Base-Base interactions energy: -1360.419
where: short stacking energy: -621.271
Base-Backbone interact. energy: -3.548
local terms energy: -659.234059
where:
bonds (distance) C4'-P energy: -132.569
bonds (distance) P-C4' energy: -131.047
flat angles C4'-P-C4' energy: -152.797
flat angles P-C4'-P energy: -80.471
tors. eta vs tors. theta energy: -162.350
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: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1839.146521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.146521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.146521 (E_RNA)
where:
Base-Base interactions energy: -1246.848
where: short stacking energy: -553.774
Base-Backbone interact. energy: -0.739
local terms energy: -591.559237
where:
bonds (distance) C4'-P energy: -124.591
bonds (distance) P-C4' energy: -129.204
flat angles C4'-P-C4' energy: -112.666
flat angles P-C4'-P energy: -93.851
tors. eta vs tors. theta energy: -131.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1669.297916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.297916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.297916 (E_RNA)
where:
Base-Base interactions energy: -1110.437
where: short stacking energy: -512.317
Base-Backbone interact. energy: 1.774
local terms energy: -560.634028
where:
bonds (distance) C4'-P energy: -117.805
bonds (distance) P-C4' energy: -119.431
flat angles C4'-P-C4' energy: -126.897
flat angles P-C4'-P energy: -83.114
tors. eta vs tors. theta energy: -113.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1343.917194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.917194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.917194 (E_RNA)
where:
Base-Base interactions energy: -836.190
where: short stacking energy: -376.686
Base-Backbone interact. energy: -1.240
local terms energy: -506.486621
where:
bonds (distance) C4'-P energy: -123.863
bonds (distance) P-C4' energy: -124.208
flat angles C4'-P-C4' energy: -123.887
flat angles P-C4'-P energy: -66.902
tors. eta vs tors. theta energy: -67.626
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: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1003.087061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.087061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.087061 (E_RNA)
where:
Base-Base interactions energy: -560.862
where: short stacking energy: -299.002
Base-Backbone interact. energy: 1.504
local terms energy: -443.729059
where:
bonds (distance) C4'-P energy: -101.597
bonds (distance) P-C4' energy: -128.021
flat angles C4'-P-C4' energy: -116.479
flat angles P-C4'-P energy: -56.637
tors. eta vs tors. theta energy: -40.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1112.121000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.121000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.121000 (E_RNA)
where:
Base-Base interactions energy: -652.258
where: short stacking energy: -314.243
Base-Backbone interact. energy: -2.031
local terms energy: -457.831785
where:
bonds (distance) C4'-P energy: -122.808
bonds (distance) P-C4' energy: -118.764
flat angles C4'-P-C4' energy: -111.176
flat angles P-C4'-P energy: -70.396
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -907.701366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.701366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.701366 (E_RNA)
where:
Base-Base interactions energy: -495.034
where: short stacking energy: -259.226
Base-Backbone interact. energy: -0.466
local terms energy: -412.201467
where:
bonds (distance) C4'-P energy: -119.872
bonds (distance) P-C4' energy: -98.016
flat angles C4'-P-C4' energy: -110.089
flat angles P-C4'-P energy: -47.175
tors. eta vs tors. theta energy: -37.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2268.743168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.743168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.743168 (E_RNA)
where:
Base-Base interactions energy: -1529.045
where: short stacking energy: -670.435
Base-Backbone interact. energy: -2.223
local terms energy: -737.475586
where:
bonds (distance) C4'-P energy: -133.633
bonds (distance) P-C4' energy: -145.957
flat angles C4'-P-C4' energy: -158.110
flat angles P-C4'-P energy: -109.823
tors. eta vs tors. theta energy: -189.953
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: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2141.064992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.064992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.064992 (E_RNA)
where:
Base-Base interactions energy: -1434.055
where: short stacking energy: -658.350
Base-Backbone interact. energy: -5.099
local terms energy: -701.910518
where:
bonds (distance) C4'-P energy: -127.295
bonds (distance) P-C4' energy: -147.784
flat angles C4'-P-C4' energy: -144.009
flat angles P-C4'-P energy: -92.946
tors. eta vs tors. theta energy: -189.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2083.340540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.340540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.340540 (E_RNA)
where:
Base-Base interactions energy: -1383.460
where: short stacking energy: -643.420
Base-Backbone interact. energy: -2.787
local terms energy: -697.094245
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -146.179
flat angles C4'-P-C4' energy: -148.186
flat angles P-C4'-P energy: -103.083
tors. eta vs tors. theta energy: -178.930
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: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1985.878876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.878876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.878876 (E_RNA)
where:
Base-Base interactions energy: -1313.751
where: short stacking energy: -601.254
Base-Backbone interact. energy: 0.170
local terms energy: -672.298328
where:
bonds (distance) C4'-P energy: -145.185
bonds (distance) P-C4' energy: -125.109
flat angles C4'-P-C4' energy: -148.322
flat angles P-C4'-P energy: -92.568
tors. eta vs tors. theta energy: -161.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1813.280444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.280444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.280444 (E_RNA)
where:
Base-Base interactions energy: -1218.691
where: short stacking energy: -557.791
Base-Backbone interact. energy: -4.209
local terms energy: -590.380240
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -130.524
flat angles C4'-P-C4' energy: -132.529
flat angles P-C4'-P energy: -94.347
tors. eta vs tors. theta energy: -124.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1705.289744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.289744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.289744 (E_RNA)
where:
Base-Base interactions energy: -1120.892
where: short stacking energy: -499.637
Base-Backbone interact. energy: -4.159
local terms energy: -580.238892
where:
bonds (distance) C4'-P energy: -113.524
bonds (distance) P-C4' energy: -124.731
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -122.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1404.418156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.418156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.418156 (E_RNA)
where:
Base-Base interactions energy: -892.816
where: short stacking energy: -401.687
Base-Backbone interact. energy: -5.428
local terms energy: -506.174326
where:
bonds (distance) C4'-P energy: -116.616
bonds (distance) P-C4' energy: -104.114
flat angles C4'-P-C4' energy: -116.247
flat angles P-C4'-P energy: -84.849
tors. eta vs tors. theta energy: -84.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -916.616994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.616994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.616994 (E_RNA)
where:
Base-Base interactions energy: -493.379
where: short stacking energy: -268.950
Base-Backbone interact. energy: 1.698
local terms energy: -424.935797
where:
bonds (distance) C4'-P energy: -107.595
bonds (distance) P-C4' energy: -115.618
flat angles C4'-P-C4' energy: -105.374
flat angles P-C4'-P energy: -69.385
tors. eta vs tors. theta energy: -26.964
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: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1097.593080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.593080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.593080 (E_RNA)
where:
Base-Base interactions energy: -671.729
where: short stacking energy: -308.402
Base-Backbone interact. energy: -4.054
local terms energy: -421.809553
where:
bonds (distance) C4'-P energy: -104.622
bonds (distance) P-C4' energy: -120.853
flat angles C4'-P-C4' energy: -100.088
flat angles P-C4'-P energy: -68.465
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -913.909815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.909815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.909815 (E_RNA)
where:
Base-Base interactions energy: -522.513
where: short stacking energy: -271.704
Base-Backbone interact. energy: 3.043
local terms energy: -394.439875
where:
bonds (distance) C4'-P energy: -96.085
bonds (distance) P-C4' energy: -114.171
flat angles C4'-P-C4' energy: -106.314
flat angles P-C4'-P energy: -53.796
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2289.983295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.983295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.983295 (E_RNA)
where:
Base-Base interactions energy: -1563.674
where: short stacking energy: -675.796
Base-Backbone interact. energy: -3.620
local terms energy: -722.688902
where:
bonds (distance) C4'-P energy: -143.404
bonds (distance) P-C4' energy: -134.838
flat angles C4'-P-C4' energy: -156.395
flat angles P-C4'-P energy: -97.041
tors. eta vs tors. theta energy: -191.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2198.266977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.266977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.266977 (E_RNA)
where:
Base-Base interactions energy: -1464.713
where: short stacking energy: -656.872
Base-Backbone interact. energy: -5.121
local terms energy: -728.432682
where:
bonds (distance) C4'-P energy: -140.648
bonds (distance) P-C4' energy: -146.738
flat angles C4'-P-C4' energy: -166.383
flat angles P-C4'-P energy: -91.513
tors. eta vs tors. theta energy: -183.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2068.429716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.429716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.429716 (E_RNA)
where:
Base-Base interactions energy: -1394.408
where: short stacking energy: -612.175
Base-Backbone interact. energy: -4.781
local terms energy: -669.241488
where:
bonds (distance) C4'-P energy: -126.041
bonds (distance) P-C4' energy: -139.715
flat angles C4'-P-C4' energy: -147.316
flat angles P-C4'-P energy: -87.575
tors. eta vs tors. theta energy: -168.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2009.154490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.154490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.154490 (E_RNA)
where:
Base-Base interactions energy: -1356.972
where: short stacking energy: -593.241
Base-Backbone interact. energy: -2.712
local terms energy: -649.470457
where:
bonds (distance) C4'-P energy: -135.011
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -136.782
flat angles P-C4'-P energy: -74.476
tors. eta vs tors. theta energy: -173.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1802.227762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.227762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.227762 (E_RNA)
where:
Base-Base interactions energy: -1189.037
where: short stacking energy: -532.988
Base-Backbone interact. energy: -2.704
local terms energy: -610.487251
where:
bonds (distance) C4'-P energy: -122.722
bonds (distance) P-C4' energy: -118.125
flat angles C4'-P-C4' energy: -146.550
flat angles P-C4'-P energy: -87.080
tors. eta vs tors. theta energy: -136.010
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: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1727.476668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.476668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.476668 (E_RNA)
where:
Base-Base interactions energy: -1125.228
where: short stacking energy: -508.148
Base-Backbone interact. energy: -0.383
local terms energy: -601.865471
where:
bonds (distance) C4'-P energy: -118.197
bonds (distance) P-C4' energy: -128.461
flat angles C4'-P-C4' energy: -133.469
flat angles P-C4'-P energy: -89.477
tors. eta vs tors. theta energy: -132.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1392.628246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.628246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.628246 (E_RNA)
where:
Base-Base interactions energy: -864.821
where: short stacking energy: -375.937
Base-Backbone interact. energy: -2.772
local terms energy: -525.035214
where:
bonds (distance) C4'-P energy: -125.645
bonds (distance) P-C4' energy: -123.415
flat angles C4'-P-C4' energy: -129.050
flat angles P-C4'-P energy: -80.861
tors. eta vs tors. theta energy: -66.065
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: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1132.991203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.991203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.991203 (E_RNA)
where:
Base-Base interactions energy: -648.086
where: short stacking energy: -318.327
Base-Backbone interact. energy: -0.746
local terms energy: -484.159560
where:
bonds (distance) C4'-P energy: -131.557
bonds (distance) P-C4' energy: -132.168
flat angles C4'-P-C4' energy: -109.570
flat angles P-C4'-P energy: -83.258
tors. eta vs tors. theta energy: -27.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -810.475841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.475841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.475841 (E_RNA)
where:
Base-Base interactions energy: -397.793
where: short stacking energy: -232.368
Base-Backbone interact. energy: 0.882
local terms energy: -413.564194
where:
bonds (distance) C4'-P energy: -106.774
bonds (distance) P-C4' energy: -110.757
flat angles C4'-P-C4' energy: -122.717
flat angles P-C4'-P energy: -64.426
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -849.428542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.428542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.428542 (E_RNA)
where:
Base-Base interactions energy: -454.619
where: short stacking energy: -244.048
Base-Backbone interact. energy: 4.101
local terms energy: -398.910930
where:
bonds (distance) C4'-P energy: -114.851
bonds (distance) P-C4' energy: -126.832
flat angles C4'-P-C4' energy: -87.013
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -15.486
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: 58
Temperature: 0.900000
Total energy: -2281.077255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.077255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.077255 (E_RNA)
where:
Base-Base interactions energy: -1564.883
where: short stacking energy: -654.717
Base-Backbone interact. energy: -1.848
local terms energy: -714.346400
where:
bonds (distance) C4'-P energy: -135.096
bonds (distance) P-C4' energy: -142.027
flat angles C4'-P-C4' energy: -163.141
flat angles P-C4'-P energy: -108.227
tors. eta vs tors. theta energy: -165.856
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2174.503140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.503140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.503140 (E_RNA)
where:
Base-Base interactions energy: -1451.190
where: short stacking energy: -663.734
Base-Backbone interact. energy: -2.728
local terms energy: -720.585709
where:
bonds (distance) C4'-P energy: -139.101
bonds (distance) P-C4' energy: -151.190
flat angles C4'-P-C4' energy: -149.673
flat angles P-C4'-P energy: -91.645
tors. eta vs tors. theta energy: -188.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2043.452633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.452633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.452633 (E_RNA)
where:
Base-Base interactions energy: -1344.344
where: short stacking energy: -607.792
Base-Backbone interact. energy: -3.900
local terms energy: -695.208585
where:
bonds (distance) C4'-P energy: -146.677
bonds (distance) P-C4' energy: -153.915
flat angles C4'-P-C4' energy: -139.525
flat angles P-C4'-P energy: -89.065
tors. eta vs tors. theta energy: -166.026
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1956.480646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.480646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.480646 (E_RNA)
where:
Base-Base interactions energy: -1315.815
where: short stacking energy: -582.135
Base-Backbone interact. energy: -3.797
local terms energy: -636.869191
where:
bonds (distance) C4'-P energy: -117.964
bonds (distance) P-C4' energy: -129.540
flat angles C4'-P-C4' energy: -151.597
flat angles P-C4'-P energy: -84.186
tors. eta vs tors. theta energy: -153.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1808.442164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.442164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.442164 (E_RNA)
where:
Base-Base interactions energy: -1212.777
where: short stacking energy: -542.972
Base-Backbone interact. energy: 1.685
local terms energy: -597.349799
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -127.478
flat angles C4'-P-C4' energy: -127.308
flat angles P-C4'-P energy: -83.336
tors. eta vs tors. theta energy: -136.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1784.432251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.432251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.432251 (E_RNA)
where:
Base-Base interactions energy: -1196.487
where: short stacking energy: -523.921
Base-Backbone interact. energy: 0.329
local terms energy: -588.275021
where:
bonds (distance) C4'-P energy: -104.368
bonds (distance) P-C4' energy: -134.214
flat angles C4'-P-C4' energy: -129.527
flat angles P-C4'-P energy: -93.004
tors. eta vs tors. theta energy: -127.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1427.967388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.967388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.967388 (E_RNA)
where:
Base-Base interactions energy: -886.627
where: short stacking energy: -404.871
Base-Backbone interact. energy: -1.450
local terms energy: -539.890165
where:
bonds (distance) C4'-P energy: -105.411
bonds (distance) P-C4' energy: -141.985
flat angles C4'-P-C4' energy: -123.490
flat angles P-C4'-P energy: -70.755
tors. eta vs tors. theta energy: -98.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1170.668029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.668029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.668029 (E_RNA)
where:
Base-Base interactions energy: -715.128
where: short stacking energy: -344.504
Base-Backbone interact. energy: 2.512
local terms energy: -458.052288
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -134.039
flat angles C4'-P-C4' energy: -107.659
flat angles P-C4'-P energy: -60.806
tors. eta vs tors. theta energy: -39.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1017.829569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.829569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.829569 (E_RNA)
where:
Base-Base interactions energy: -603.256
where: short stacking energy: -303.968
Base-Backbone interact. energy: 1.561
local terms energy: -416.135278
where:
bonds (distance) C4'-P energy: -116.555
bonds (distance) P-C4' energy: -111.868
flat angles C4'-P-C4' energy: -107.054
flat angles P-C4'-P energy: -53.325
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -639.502661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.502661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.502661 (E_RNA)
where:
Base-Base interactions energy: -292.601
where: short stacking energy: -165.529
Base-Backbone interact. energy: 0.735
local terms energy: -347.636473
where:
bonds (distance) C4'-P energy: -114.217
bonds (distance) P-C4' energy: -118.661
flat angles C4'-P-C4' energy: -93.796
flat angles P-C4'-P energy: -50.999
tors. eta vs tors. theta energy: 30.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2295.052969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.052969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.052969 (E_RNA)
where:
Base-Base interactions energy: -1579.228
where: short stacking energy: -665.439
Base-Backbone interact. energy: -1.185
local terms energy: -714.640752
where:
bonds (distance) C4'-P energy: -129.633
bonds (distance) P-C4' energy: -148.370
flat angles C4'-P-C4' energy: -153.804
flat angles P-C4'-P energy: -106.394
tors. eta vs tors. theta energy: -176.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2112.561759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.561759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.561759 (E_RNA)
where:
Base-Base interactions energy: -1418.090
where: short stacking energy: -629.651
Base-Backbone interact. energy: -3.500
local terms energy: -690.971781
where:
bonds (distance) C4'-P energy: -132.423
bonds (distance) P-C4' energy: -140.667
flat angles C4'-P-C4' energy: -149.756
flat angles P-C4'-P energy: -99.468
tors. eta vs tors. theta energy: -168.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2099.585670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.585670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.585670 (E_RNA)
where:
Base-Base interactions energy: -1383.209
where: short stacking energy: -665.229
Base-Backbone interact. energy: 0.124
local terms energy: -716.500607
where:
bonds (distance) C4'-P energy: -139.562
bonds (distance) P-C4' energy: -140.106
flat angles C4'-P-C4' energy: -158.281
flat angles P-C4'-P energy: -89.001
tors. eta vs tors. theta energy: -189.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1952.887082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.887082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.887082 (E_RNA)
where:
Base-Base interactions energy: -1321.812
where: short stacking energy: -582.089
Base-Backbone interact. energy: 0.563
local terms energy: -631.637752
where:
bonds (distance) C4'-P energy: -126.137
bonds (distance) P-C4' energy: -116.832
flat angles C4'-P-C4' energy: -137.370
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -154.782
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: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1852.713946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.713946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.713946 (E_RNA)
where:
Base-Base interactions energy: -1226.551
where: short stacking energy: -550.363
Base-Backbone interact. energy: 1.369
local terms energy: -627.532285
where:
bonds (distance) C4'-P energy: -120.961
bonds (distance) P-C4' energy: -148.025
flat angles C4'-P-C4' energy: -141.257
flat angles P-C4'-P energy: -80.599
tors. eta vs tors. theta energy: -136.691
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1745.337717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.337717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.337717 (E_RNA)
where:
Base-Base interactions energy: -1143.643
where: short stacking energy: -513.500
Base-Backbone interact. energy: -4.108
local terms energy: -597.586039
where:
bonds (distance) C4'-P energy: -119.816
bonds (distance) P-C4' energy: -114.340
flat angles C4'-P-C4' energy: -137.991
flat angles P-C4'-P energy: -90.901
tors. eta vs tors. theta energy: -134.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1403.338869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.338869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.338869 (E_RNA)
where:
Base-Base interactions energy: -880.836
where: short stacking energy: -412.592
Base-Backbone interact. energy: 1.061
local terms energy: -523.564222
where:
bonds (distance) C4'-P energy: -100.817
bonds (distance) P-C4' energy: -134.129
flat angles C4'-P-C4' energy: -134.133
flat angles P-C4'-P energy: -72.817
tors. eta vs tors. theta energy: -81.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1099.172371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.172371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.172371 (E_RNA)
where:
Base-Base interactions energy: -648.635
where: short stacking energy: -327.214
Base-Backbone interact. energy: 5.196
local terms energy: -455.733467
where:
bonds (distance) C4'-P energy: -116.626
bonds (distance) P-C4' energy: -111.666
flat angles C4'-P-C4' energy: -102.674
flat angles P-C4'-P energy: -75.797
tors. eta vs tors. theta energy: -48.971
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: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -956.502830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.502830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.502830 (E_RNA)
where:
Base-Base interactions energy: -533.416
where: short stacking energy: -269.268
Base-Backbone interact. energy: -2.817
local terms energy: -420.269984
where:
bonds (distance) C4'-P energy: -105.671
bonds (distance) P-C4' energy: -121.169
flat angles C4'-P-C4' energy: -105.257
flat angles P-C4'-P energy: -76.320
tors. eta vs tors. theta energy: -11.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -578.574725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.574725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.574725 (E_RNA)
where:
Base-Base interactions energy: -270.321
where: short stacking energy: -189.717
Base-Backbone interact. energy: 7.570
local terms energy: -315.823228
where:
bonds (distance) C4'-P energy: -100.663
bonds (distance) P-C4' energy: -108.915
flat angles C4'-P-C4' energy: -88.525
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: 21.785
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: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2301.516336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.516336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.516336 (E_RNA)
where:
Base-Base interactions energy: -1572.764
where: short stacking energy: -676.754
Base-Backbone interact. energy: -2.502
local terms energy: -726.250602
where:
bonds (distance) C4'-P energy: -133.452
bonds (distance) P-C4' energy: -149.243
flat angles C4'-P-C4' energy: -157.987
flat angles P-C4'-P energy: -105.896
tors. eta vs tors. theta energy: -179.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2125.683085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.683085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.683085 (E_RNA)
where:
Base-Base interactions energy: -1432.035
where: short stacking energy: -667.499
Base-Backbone interact. energy: -3.603
local terms energy: -690.045758
where:
bonds (distance) C4'-P energy: -124.711
bonds (distance) P-C4' energy: -137.501
flat angles C4'-P-C4' energy: -156.544
flat angles P-C4'-P energy: -100.708
tors. eta vs tors. theta energy: -170.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2065.727473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.727473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.727473 (E_RNA)
where:
Base-Base interactions energy: -1342.060
where: short stacking energy: -615.847
Base-Backbone interact. energy: -2.920
local terms energy: -720.747900
where:
bonds (distance) C4'-P energy: -149.914
bonds (distance) P-C4' energy: -146.305
flat angles C4'-P-C4' energy: -153.699
flat angles P-C4'-P energy: -95.634
tors. eta vs tors. theta energy: -175.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1936.646759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.646759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.646759 (E_RNA)
where:
Base-Base interactions energy: -1295.235
where: short stacking energy: -552.539
Base-Backbone interact. energy: 0.448
local terms energy: -641.859459
where:
bonds (distance) C4'-P energy: -125.418
bonds (distance) P-C4' energy: -119.603
flat angles C4'-P-C4' energy: -155.490
flat angles P-C4'-P energy: -86.710
tors. eta vs tors. theta energy: -154.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1857.624581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.624581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.624581 (E_RNA)
where:
Base-Base interactions energy: -1245.025
where: short stacking energy: -563.629
Base-Backbone interact. energy: -0.747
local terms energy: -611.852806
where:
bonds (distance) C4'-P energy: -120.442
bonds (distance) P-C4' energy: -127.083
flat angles C4'-P-C4' energy: -144.621
flat angles P-C4'-P energy: -90.795
tors. eta vs tors. theta energy: -128.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1751.553190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.553190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.553190 (E_RNA)
where:
Base-Base interactions energy: -1164.262
where: short stacking energy: -516.388
Base-Backbone interact. energy: -4.393
local terms energy: -582.898455
where:
bonds (distance) C4'-P energy: -128.388
bonds (distance) P-C4' energy: -130.319
flat angles C4'-P-C4' energy: -124.266
flat angles P-C4'-P energy: -74.419
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: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1451.004445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.004445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.004445 (E_RNA)
where:
Base-Base interactions energy: -926.878
where: short stacking energy: -425.289
Base-Backbone interact. energy: 3.961
local terms energy: -528.087584
where:
bonds (distance) C4'-P energy: -130.335
bonds (distance) P-C4' energy: -108.453
flat angles C4'-P-C4' energy: -123.902
flat angles P-C4'-P energy: -87.754
tors. eta vs tors. theta energy: -77.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1060.258368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.258368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.258368 (E_RNA)
where:
Base-Base interactions energy: -601.785
where: short stacking energy: -334.011
Base-Backbone interact. energy: -3.013
local terms energy: -455.460671
where:
bonds (distance) C4'-P energy: -113.149
bonds (distance) P-C4' energy: -123.963
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -61.449
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1050.968066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.968066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.968066 (E_RNA)
where:
Base-Base interactions energy: -622.914
where: short stacking energy: -335.901
Base-Backbone interact. energy: 1.154
local terms energy: -429.208138
where:
bonds (distance) C4'-P energy: -111.194
bonds (distance) P-C4' energy: -101.974
flat angles C4'-P-C4' energy: -94.868
flat angles P-C4'-P energy: -65.706
tors. eta vs tors. theta energy: -55.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -585.604273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.604273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.604273 (E_RNA)
where:
Base-Base interactions energy: -210.815
where: short stacking energy: -164.866
Base-Backbone interact. energy: 4.999
local terms energy: -379.787953
where:
bonds (distance) C4'-P energy: -123.541
bonds (distance) P-C4' energy: -101.707
flat angles C4'-P-C4' energy: -100.536
flat angles P-C4'-P energy: -69.653
tors. eta vs tors. theta energy: 15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2281.551755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.551755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.551755 (E_RNA)
where:
Base-Base interactions energy: -1584.457
where: short stacking energy: -668.323
Base-Backbone interact. energy: -3.972
local terms energy: -693.123103
where:
bonds (distance) C4'-P energy: -123.187
bonds (distance) P-C4' energy: -131.014
flat angles C4'-P-C4' energy: -158.166
flat angles P-C4'-P energy: -90.982
tors. eta vs tors. theta energy: -189.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2065.897076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.897076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.897076 (E_RNA)
where:
Base-Base interactions energy: -1390.382
where: short stacking energy: -633.427
Base-Backbone interact. energy: -1.913
local terms energy: -673.601389
where:
bonds (distance) C4'-P energy: -141.830
bonds (distance) P-C4' energy: -136.207
flat angles C4'-P-C4' energy: -155.245
flat angles P-C4'-P energy: -85.237
tors. eta vs tors. theta energy: -155.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2075.380417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.380417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.380417 (E_RNA)
where:
Base-Base interactions energy: -1390.931
where: short stacking energy: -638.345
Base-Backbone interact. energy: -2.716
local terms energy: -681.733603
where:
bonds (distance) C4'-P energy: -125.264
bonds (distance) P-C4' energy: -131.654
flat angles C4'-P-C4' energy: -147.706
flat angles P-C4'-P energy: -83.934
tors. eta vs tors. theta energy: -193.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2023.710320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.710320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.710320 (E_RNA)
where:
Base-Base interactions energy: -1359.044
where: short stacking energy: -619.404
Base-Backbone interact. energy: 4.580
local terms energy: -669.246003
where:
bonds (distance) C4'-P energy: -108.542
bonds (distance) P-C4' energy: -135.912
flat angles C4'-P-C4' energy: -143.899
flat angles P-C4'-P energy: -112.977
tors. eta vs tors. theta energy: -167.916
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: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1831.783825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.783825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.783825 (E_RNA)
where:
Base-Base interactions energy: -1219.769
where: short stacking energy: -527.300
Base-Backbone interact. energy: -0.872
local terms energy: -611.142755
where:
bonds (distance) C4'-P energy: -127.722
bonds (distance) P-C4' energy: -140.854
flat angles C4'-P-C4' energy: -131.364
flat angles P-C4'-P energy: -84.707
tors. eta vs tors. theta energy: -126.496
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: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1804.221958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.221958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.221958 (E_RNA)
where:
Base-Base interactions energy: -1193.524
where: short stacking energy: -540.245
Base-Backbone interact. energy: 3.784
local terms energy: -614.481502
where:
bonds (distance) C4'-P energy: -117.810
bonds (distance) P-C4' energy: -121.555
flat angles C4'-P-C4' energy: -139.271
flat angles P-C4'-P energy: -89.589
tors. eta vs tors. theta energy: -146.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1471.243943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.243943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.243943 (E_RNA)
where:
Base-Base interactions energy: -950.180
where: short stacking energy: -403.633
Base-Backbone interact. energy: 0.135
local terms energy: -521.199108
where:
bonds (distance) C4'-P energy: -129.345
bonds (distance) P-C4' energy: -109.044
flat angles C4'-P-C4' energy: -135.116
flat angles P-C4'-P energy: -77.236
tors. eta vs tors. theta energy: -70.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1014.605320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.605320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.605320 (E_RNA)
where:
Base-Base interactions energy: -564.346
where: short stacking energy: -308.946
Base-Backbone interact. energy: -2.834
local terms energy: -447.425484
where:
bonds (distance) C4'-P energy: -108.369
bonds (distance) P-C4' energy: -132.528
flat angles C4'-P-C4' energy: -93.894
flat angles P-C4'-P energy: -81.861
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1017.258122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.258122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.258122 (E_RNA)
where:
Base-Base interactions energy: -595.088
where: short stacking energy: -304.128
Base-Backbone interact. energy: 3.658
local terms energy: -425.827883
where:
bonds (distance) C4'-P energy: -116.442
bonds (distance) P-C4' energy: -125.986
flat angles C4'-P-C4' energy: -98.961
flat angles P-C4'-P energy: -54.939
tors. eta vs tors. theta energy: -29.499
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: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -552.538582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.538582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.538582 (E_RNA)
where:
Base-Base interactions energy: -191.765
where: short stacking energy: -165.325
Base-Backbone interact. energy: 0.377
local terms energy: -361.150928
where:
bonds (distance) C4'-P energy: -121.042
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -107.744
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: 37.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2291.389188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.389188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.389188 (E_RNA)
where:
Base-Base interactions energy: -1568.749
where: short stacking energy: -682.054
Base-Backbone interact. energy: -1.455
local terms energy: -721.185540
where:
bonds (distance) C4'-P energy: -143.584
bonds (distance) P-C4' energy: -149.398
flat angles C4'-P-C4' energy: -159.547
flat angles P-C4'-P energy: -81.060
tors. eta vs tors. theta energy: -187.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2135.675827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.675827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.675827 (E_RNA)
where:
Base-Base interactions energy: -1434.152
where: short stacking energy: -659.785
Base-Backbone interact. energy: -1.278
local terms energy: -700.246119
where:
bonds (distance) C4'-P energy: -141.171
bonds (distance) P-C4' energy: -138.039
flat angles C4'-P-C4' energy: -157.584
flat angles P-C4'-P energy: -88.882
tors. eta vs tors. theta energy: -174.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2132.732287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.732287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.732287 (E_RNA)
where:
Base-Base interactions energy: -1443.950
where: short stacking energy: -630.034
Base-Backbone interact. energy: -3.222
local terms energy: -685.560170
where:
bonds (distance) C4'-P energy: -131.717
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -146.301
flat angles P-C4'-P energy: -102.193
tors. eta vs tors. theta energy: -185.195
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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2043.296606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.296606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.296606 (E_RNA)
where:
Base-Base interactions energy: -1395.384
where: short stacking energy: -613.926
Base-Backbone interact. energy: -7.167
local terms energy: -640.745890
where:
bonds (distance) C4'-P energy: -112.208
bonds (distance) P-C4' energy: -131.223
flat angles C4'-P-C4' energy: -137.663
flat angles P-C4'-P energy: -93.020
tors. eta vs tors. theta energy: -166.632
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: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1806.064262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.064262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.064262 (E_RNA)
where:
Base-Base interactions energy: -1192.401
where: short stacking energy: -523.051
Base-Backbone interact. energy: -0.185
local terms energy: -613.478200
where:
bonds (distance) C4'-P energy: -130.215
bonds (distance) P-C4' energy: -116.338
flat angles C4'-P-C4' energy: -143.268
flat angles P-C4'-P energy: -94.644
tors. eta vs tors. theta energy: -129.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1661.529506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.529506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.529506 (E_RNA)
where:
Base-Base interactions energy: -1074.874
where: short stacking energy: -466.627
Base-Backbone interact. energy: -3.406
local terms energy: -583.249810
where:
bonds (distance) C4'-P energy: -122.936
bonds (distance) P-C4' energy: -123.741
flat angles C4'-P-C4' energy: -137.912
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: -122.277
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: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1420.580409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.580409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.580409 (E_RNA)
where:
Base-Base interactions energy: -867.563
where: short stacking energy: -393.634
Base-Backbone interact. energy: -1.795
local terms energy: -551.222172
where:
bonds (distance) C4'-P energy: -121.026
bonds (distance) P-C4' energy: -138.704
flat angles C4'-P-C4' energy: -127.868
flat angles P-C4'-P energy: -90.107
tors. eta vs tors. theta energy: -73.517
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: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1094.095997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.095997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.095997 (E_RNA)
where:
Base-Base interactions energy: -639.022
where: short stacking energy: -329.744
Base-Backbone interact. energy: -2.285
local terms energy: -452.789287
where:
bonds (distance) C4'-P energy: -103.350
bonds (distance) P-C4' energy: -124.791
flat angles C4'-P-C4' energy: -102.910
flat angles P-C4'-P energy: -64.785
tors. eta vs tors. theta energy: -56.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1025.093300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.093300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.093300 (E_RNA)
where:
Base-Base interactions energy: -588.411
where: short stacking energy: -314.675
Base-Backbone interact. energy: 2.019
local terms energy: -438.701368
where:
bonds (distance) C4'-P energy: -117.268
bonds (distance) P-C4' energy: -112.433
flat angles C4'-P-C4' energy: -99.565
flat angles P-C4'-P energy: -72.793
tors. eta vs tors. theta energy: -36.643
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: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -536.126046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.126046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.126046 (E_RNA)
where:
Base-Base interactions energy: -195.557
where: short stacking energy: -138.858
Base-Backbone interact. energy: 9.378
local terms energy: -349.947283
where:
bonds (distance) C4'-P energy: -107.051
bonds (distance) P-C4' energy: -126.400
flat angles C4'-P-C4' energy: -93.187
flat angles P-C4'-P energy: -59.963
tors. eta vs tors. theta energy: 36.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2326.602047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.602047 (E_RNA)
where:
Base-Base interactions energy: -1582.040
where: short stacking energy: -670.737
Base-Backbone interact. energy: -4.873
local terms energy: -739.688658
where:
bonds (distance) C4'-P energy: -146.821
bonds (distance) P-C4' energy: -140.941
flat angles C4'-P-C4' energy: -162.674
flat angles P-C4'-P energy: -101.667
tors. eta vs tors. theta energy: -187.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2169.874889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.874889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.874889 (E_RNA)
where:
Base-Base interactions energy: -1459.636
where: short stacking energy: -630.221
Base-Backbone interact. energy: -2.865
local terms energy: -707.374063
where:
bonds (distance) C4'-P energy: -128.851
bonds (distance) P-C4' energy: -133.919
flat angles C4'-P-C4' energy: -153.838
flat angles P-C4'-P energy: -109.575
tors. eta vs tors. theta energy: -181.191
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: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2075.909874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.909874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.909874 (E_RNA)
where:
Base-Base interactions energy: -1396.162
where: short stacking energy: -626.308
Base-Backbone interact. energy: 1.015
local terms energy: -680.762444
where:
bonds (distance) C4'-P energy: -124.605
bonds (distance) P-C4' energy: -150.656
flat angles C4'-P-C4' energy: -159.728
flat angles P-C4'-P energy: -96.340
tors. eta vs tors. theta energy: -149.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2038.512120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.512120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.512120 (E_RNA)
where:
Base-Base interactions energy: -1373.501
where: short stacking energy: -611.465
Base-Backbone interact. energy: -1.632
local terms energy: -663.378679
where:
bonds (distance) C4'-P energy: -126.613
bonds (distance) P-C4' energy: -137.010
flat angles C4'-P-C4' energy: -154.491
flat angles P-C4'-P energy: -74.725
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: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1781.736975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.736975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.736975 (E_RNA)
where:
Base-Base interactions energy: -1158.187
where: short stacking energy: -540.932
Base-Backbone interact. energy: -2.035
local terms energy: -621.514601
where:
bonds (distance) C4'-P energy: -127.107
bonds (distance) P-C4' energy: -135.887
flat angles C4'-P-C4' energy: -137.607
flat angles P-C4'-P energy: -88.964
tors. eta vs tors. theta energy: -131.950
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: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1667.104064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.104064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.104064 (E_RNA)
where:
Base-Base interactions energy: -1103.071
where: short stacking energy: -510.202
Base-Backbone interact. energy: -0.048
local terms energy: -563.984637
where:
bonds (distance) C4'-P energy: -113.524
bonds (distance) P-C4' energy: -119.921
flat angles C4'-P-C4' energy: -124.534
flat angles P-C4'-P energy: -89.000
tors. eta vs tors. theta energy: -117.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1499.082327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.082327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.082327 (E_RNA)
where:
Base-Base interactions energy: -935.806
where: short stacking energy: -436.187
Base-Backbone interact. energy: -1.468
local terms energy: -561.808047
where:
bonds (distance) C4'-P energy: -118.141
bonds (distance) P-C4' energy: -147.930
flat angles C4'-P-C4' energy: -127.217
flat angles P-C4'-P energy: -71.254
tors. eta vs tors. theta energy: -97.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1092.103201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.103201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.103201 (E_RNA)
where:
Base-Base interactions energy: -633.887
where: short stacking energy: -351.441
Base-Backbone interact. energy: -2.796
local terms energy: -455.420285
where:
bonds (distance) C4'-P energy: -105.723
bonds (distance) P-C4' energy: -116.092
flat angles C4'-P-C4' energy: -110.963
flat angles P-C4'-P energy: -68.041
tors. eta vs tors. theta energy: -54.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -989.445650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.445650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.445650 (E_RNA)
where:
Base-Base interactions energy: -555.270
where: short stacking energy: -309.962
Base-Backbone interact. energy: -1.421
local terms energy: -432.755097
where:
bonds (distance) C4'-P energy: -110.308
bonds (distance) P-C4' energy: -126.042
flat angles C4'-P-C4' energy: -115.616
flat angles P-C4'-P energy: -43.031
tors. eta vs tors. theta energy: -37.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -573.860461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.860461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.860461 (E_RNA)
where:
Base-Base interactions energy: -199.017
where: short stacking energy: -196.507
Base-Backbone interact. energy: 2.617
local terms energy: -377.460283
where:
bonds (distance) C4'-P energy: -119.515
bonds (distance) P-C4' energy: -122.077
flat angles C4'-P-C4' energy: -83.578
flat angles P-C4'-P energy: -66.503
tors. eta vs tors. theta energy: 14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2303.863426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.863426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.863426 (E_RNA)
where:
Base-Base interactions energy: -1601.088
where: short stacking energy: -668.571
Base-Backbone interact. energy: -0.147
local terms energy: -702.628406
where:
bonds (distance) C4'-P energy: -132.194
bonds (distance) P-C4' energy: -148.098
flat angles C4'-P-C4' energy: -154.961
flat angles P-C4'-P energy: -87.906
tors. eta vs tors. theta energy: -179.470
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: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2131.159743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.159743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.159743 (E_RNA)
where:
Base-Base interactions energy: -1400.942
where: short stacking energy: -645.104
Base-Backbone interact. energy: -3.460
local terms energy: -726.757547
where:
bonds (distance) C4'-P energy: -143.041
bonds (distance) P-C4' energy: -153.753
flat angles C4'-P-C4' energy: -155.992
flat angles P-C4'-P energy: -102.440
tors. eta vs tors. theta energy: -171.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2089.567511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.567511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.567511 (E_RNA)
where:
Base-Base interactions energy: -1420.515
where: short stacking energy: -615.428
Base-Backbone interact. energy: -3.530
local terms energy: -665.522655
where:
bonds (distance) C4'-P energy: -133.969
bonds (distance) P-C4' energy: -143.876
flat angles C4'-P-C4' energy: -140.040
flat angles P-C4'-P energy: -77.477
tors. eta vs tors. theta energy: -170.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1960.480077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.480077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.480077 (E_RNA)
where:
Base-Base interactions energy: -1305.922
where: short stacking energy: -576.417
Base-Backbone interact. energy: -0.313
local terms energy: -654.244918
where:
bonds (distance) C4'-P energy: -120.474
bonds (distance) P-C4' energy: -135.608
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -93.576
tors. eta vs tors. theta energy: -154.192
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: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1786.943502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.943502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.943502 (E_RNA)
where:
Base-Base interactions energy: -1185.943
where: short stacking energy: -526.189
Base-Backbone interact. energy: 1.634
local terms energy: -602.635139
where:
bonds (distance) C4'-P energy: -125.441
bonds (distance) P-C4' energy: -117.070
flat angles C4'-P-C4' energy: -147.755
flat angles P-C4'-P energy: -83.179
tors. eta vs tors. theta energy: -129.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1690.936908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.936908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.936908 (E_RNA)
where:
Base-Base interactions energy: -1122.043
where: short stacking energy: -487.178
Base-Backbone interact. energy: -1.793
local terms energy: -567.100305
where:
bonds (distance) C4'-P energy: -99.525
bonds (distance) P-C4' energy: -132.522
flat angles C4'-P-C4' energy: -127.492
flat angles P-C4'-P energy: -91.277
tors. eta vs tors. theta energy: -116.285
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: 9
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1518.692972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.692972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.692972 (E_RNA)
where:
Base-Base interactions energy: -985.035
where: short stacking energy: -463.003
Base-Backbone interact. energy: -0.213
local terms energy: -533.445445
where:
bonds (distance) C4'-P energy: -111.224
bonds (distance) P-C4' energy: -117.846
flat angles C4'-P-C4' energy: -115.051
flat angles P-C4'-P energy: -67.022
tors. eta vs tors. theta energy: -122.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1130.449829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.449829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.449829 (E_RNA)
where:
Base-Base interactions energy: -632.546
where: short stacking energy: -344.448
Base-Backbone interact. energy: -4.122
local terms energy: -493.781794
where:
bonds (distance) C4'-P energy: -116.756
bonds (distance) P-C4' energy: -131.172
flat angles C4'-P-C4' energy: -127.413
flat angles P-C4'-P energy: -60.978
tors. eta vs tors. theta energy: -57.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1044.004994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.004994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.004994 (E_RNA)
where:
Base-Base interactions energy: -618.493
where: short stacking energy: -331.320
Base-Backbone interact. energy: -0.195
local terms energy: -425.317290
where:
bonds (distance) C4'-P energy: -118.293
bonds (distance) P-C4' energy: -99.606
flat angles C4'-P-C4' energy: -94.583
flat angles P-C4'-P energy: -58.095
tors. eta vs tors. theta energy: -54.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -628.371297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.371297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.371297 (E_RNA)
where:
Base-Base interactions energy: -277.934
where: short stacking energy: -189.208
Base-Backbone interact. energy: -0.524
local terms energy: -349.913083
where:
bonds (distance) C4'-P energy: -111.476
bonds (distance) P-C4' energy: -88.246
flat angles C4'-P-C4' energy: -101.268
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: 3.361
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: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2314.527141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.527141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.527141 (E_RNA)
where:
Base-Base interactions energy: -1585.715
where: short stacking energy: -673.378
Base-Backbone interact. energy: -2.123
local terms energy: -726.689564
where:
bonds (distance) C4'-P energy: -145.414
bonds (distance) P-C4' energy: -129.664
flat angles C4'-P-C4' energy: -163.742
flat angles P-C4'-P energy: -108.334
tors. eta vs tors. theta energy: -179.536
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2144.864869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.864869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.864869 (E_RNA)
where:
Base-Base interactions energy: -1430.965
where: short stacking energy: -657.392
Base-Backbone interact. energy: -2.182
local terms energy: -711.717863
where:
bonds (distance) C4'-P energy: -142.728
bonds (distance) P-C4' energy: -129.751
flat angles C4'-P-C4' energy: -152.983
flat angles P-C4'-P energy: -109.399
tors. eta vs tors. theta energy: -176.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2072.102982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.102982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.102982 (E_RNA)
where:
Base-Base interactions energy: -1384.102
where: short stacking energy: -627.827
Base-Backbone interact. energy: -1.760
local terms energy: -686.240241
where:
bonds (distance) C4'-P energy: -119.481
bonds (distance) P-C4' energy: -139.270
flat angles C4'-P-C4' energy: -150.202
flat angles P-C4'-P energy: -100.716
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: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2025.656595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.656595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.656595 (E_RNA)
where:
Base-Base interactions energy: -1360.995
where: short stacking energy: -587.020
Base-Backbone interact. energy: -0.993
local terms energy: -663.668659
where:
bonds (distance) C4'-P energy: -107.948
bonds (distance) P-C4' energy: -141.943
flat angles C4'-P-C4' energy: -143.020
flat angles P-C4'-P energy: -102.015
tors. eta vs tors. theta energy: -168.742
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: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1775.433833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.433833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.433833 (E_RNA)
where:
Base-Base interactions energy: -1165.380
where: short stacking energy: -540.683
Base-Backbone interact. energy: -2.043
local terms energy: -608.010836
where:
bonds (distance) C4'-P energy: -116.666
bonds (distance) P-C4' energy: -129.736
flat angles C4'-P-C4' energy: -154.866
flat angles P-C4'-P energy: -72.616
tors. eta vs tors. theta energy: -134.126
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: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1671.558622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.558622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.558622 (E_RNA)
where:
Base-Base interactions energy: -1074.284
where: short stacking energy: -511.530
Base-Backbone interact. energy: 1.144
local terms energy: -598.418549
where:
bonds (distance) C4'-P energy: -103.007
bonds (distance) P-C4' energy: -134.445
flat angles C4'-P-C4' energy: -148.539
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -134.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1514.515645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.515645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.515645 (E_RNA)
where:
Base-Base interactions energy: -982.509
where: short stacking energy: -439.854
Base-Backbone interact. energy: 0.712
local terms energy: -532.718709
where:
bonds (distance) C4'-P energy: -111.416
bonds (distance) P-C4' energy: -122.644
flat angles C4'-P-C4' energy: -123.729
flat angles P-C4'-P energy: -65.250
tors. eta vs tors. theta energy: -109.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1227.410477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.410477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.410477 (E_RNA)
where:
Base-Base interactions energy: -733.581
where: short stacking energy: -355.159
Base-Backbone interact. energy: -1.697
local terms energy: -492.133275
where:
bonds (distance) C4'-P energy: -106.616
bonds (distance) P-C4' energy: -141.211
flat angles C4'-P-C4' energy: -113.594
flat angles P-C4'-P energy: -71.057
tors. eta vs tors. theta energy: -59.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1100.939864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.939864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.939864 (E_RNA)
where:
Base-Base interactions energy: -649.986
where: short stacking energy: -332.860
Base-Backbone interact. energy: -2.692
local terms energy: -448.261270
where:
bonds (distance) C4'-P energy: -109.414
bonds (distance) P-C4' energy: -124.856
flat angles C4'-P-C4' energy: -101.886
flat angles P-C4'-P energy: -75.967
tors. eta vs tors. theta energy: -36.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -594.108829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.108829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.108829 (E_RNA)
where:
Base-Base interactions energy: -227.918
where: short stacking energy: -154.558
Base-Backbone interact. energy: 6.463
local terms energy: -372.653390
where:
bonds (distance) C4'-P energy: -111.143
bonds (distance) P-C4' energy: -114.673
flat angles C4'-P-C4' energy: -107.880
flat angles P-C4'-P energy: -55.018
tors. eta vs tors. theta energy: 16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2324.146940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.146940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.146940 (E_RNA)
where:
Base-Base interactions energy: -1599.498
where: short stacking energy: -681.119
Base-Backbone interact. energy: -4.930
local terms energy: -719.718289
where:
bonds (distance) C4'-P energy: -132.919
bonds (distance) P-C4' energy: -139.362
flat angles C4'-P-C4' energy: -153.461
flat angles P-C4'-P energy: -102.437
tors. eta vs tors. theta energy: -191.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2144.175724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.175724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.175724 (E_RNA)
where:
Base-Base interactions energy: -1427.485
where: short stacking energy: -651.175
Base-Backbone interact. energy: -2.096
local terms energy: -714.595042
where:
bonds (distance) C4'-P energy: -133.849
bonds (distance) P-C4' energy: -148.423
flat angles C4'-P-C4' energy: -159.896
flat angles P-C4'-P energy: -98.709
tors. eta vs tors. theta energy: -173.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2091.229070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.229070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.229070 (E_RNA)
where:
Base-Base interactions energy: -1382.486
where: short stacking energy: -646.310
Base-Backbone interact. energy: -2.333
local terms energy: -706.410267
where:
bonds (distance) C4'-P energy: -139.411
bonds (distance) P-C4' energy: -142.495
flat angles C4'-P-C4' energy: -136.996
flat angles P-C4'-P energy: -102.516
tors. eta vs tors. theta energy: -184.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2038.670394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.670394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.670394 (E_RNA)
where:
Base-Base interactions energy: -1371.889
where: short stacking energy: -602.604
Base-Backbone interact. energy: -1.695
local terms energy: -665.085751
where:
bonds (distance) C4'-P energy: -132.637
bonds (distance) P-C4' energy: -125.314
flat angles C4'-P-C4' energy: -151.705
flat angles P-C4'-P energy: -98.965
tors. eta vs tors. theta energy: -156.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1785.657981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.657981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.657981 (E_RNA)
where:
Base-Base interactions energy: -1172.906
where: short stacking energy: -537.045
Base-Backbone interact. energy: 0.356
local terms energy: -613.108342
where:
bonds (distance) C4'-P energy: -123.964
bonds (distance) P-C4' energy: -134.882
flat angles C4'-P-C4' energy: -150.891
flat angles P-C4'-P energy: -83.051
tors. eta vs tors. theta energy: -120.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1655.401146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.401146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.401146 (E_RNA)
where:
Base-Base interactions energy: -1085.582
where: short stacking energy: -490.839
Base-Backbone interact. energy: 3.409
local terms energy: -573.228239
where:
bonds (distance) C4'-P energy: -108.717
bonds (distance) P-C4' energy: -126.892
flat angles C4'-P-C4' energy: -132.553
flat angles P-C4'-P energy: -88.816
tors. eta vs tors. theta energy: -116.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1469.702033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.702033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.702033 (E_RNA)
where:
Base-Base interactions energy: -922.240
where: short stacking energy: -440.628
Base-Backbone interact. energy: -0.729
local terms energy: -546.733346
where:
bonds (distance) C4'-P energy: -95.999
bonds (distance) P-C4' energy: -130.194
flat angles C4'-P-C4' energy: -141.564
flat angles P-C4'-P energy: -74.495
tors. eta vs tors. theta energy: -104.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1291.168500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.168500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.168500 (E_RNA)
where:
Base-Base interactions energy: -797.630
where: short stacking energy: -372.270
Base-Backbone interact. energy: -0.270
local terms energy: -493.269101
where:
bonds (distance) C4'-P energy: -115.394
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -104.436
flat angles P-C4'-P energy: -65.037
tors. eta vs tors. theta energy: -76.887
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: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1132.252452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.252452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.252452 (E_RNA)
where:
Base-Base interactions energy: -657.965
where: short stacking energy: -344.901
Base-Backbone interact. energy: -0.940
local terms energy: -473.348086
where:
bonds (distance) C4'-P energy: -117.937
bonds (distance) P-C4' energy: -133.640
flat angles C4'-P-C4' energy: -109.774
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -44.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -619.707707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.707707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.707707 (E_RNA)
where:
Base-Base interactions energy: -261.705
where: short stacking energy: -167.635
Base-Backbone interact. energy: -1.509
local terms energy: -356.493244
where:
bonds (distance) C4'-P energy: -105.406
bonds (distance) P-C4' energy: -121.555
flat angles C4'-P-C4' energy: -90.834
flat angles P-C4'-P energy: -57.863
tors. eta vs tors. theta energy: 19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2295.661521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.661521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.661521 (E_RNA)
where:
Base-Base interactions energy: -1567.746
where: short stacking energy: -670.505
Base-Backbone interact. energy: -4.276
local terms energy: -723.640476
where:
bonds (distance) C4'-P energy: -136.641
bonds (distance) P-C4' energy: -140.736
flat angles C4'-P-C4' energy: -166.083
flat angles P-C4'-P energy: -98.240
tors. eta vs tors. theta energy: -181.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2197.604229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.604229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.604229 (E_RNA)
where:
Base-Base interactions energy: -1503.214
where: short stacking energy: -669.071
Base-Backbone interact. energy: -2.623
local terms energy: -691.766349
where:
bonds (distance) C4'-P energy: -130.667
bonds (distance) P-C4' energy: -149.868
flat angles C4'-P-C4' energy: -144.938
flat angles P-C4'-P energy: -85.291
tors. eta vs tors. theta energy: -181.003
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: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2134.197861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.197861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.197861 (E_RNA)
where:
Base-Base interactions energy: -1432.423
where: short stacking energy: -629.136
Base-Backbone interact. energy: -3.601
local terms energy: -698.174554
where:
bonds (distance) C4'-P energy: -145.477
bonds (distance) P-C4' energy: -132.352
flat angles C4'-P-C4' energy: -141.952
flat angles P-C4'-P energy: -106.319
tors. eta vs tors. theta energy: -172.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2071.823454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.823454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.823454 (E_RNA)
where:
Base-Base interactions energy: -1412.634
where: short stacking energy: -577.581
Base-Backbone interact. energy: 1.690
local terms energy: -660.879358
where:
bonds (distance) C4'-P energy: -124.643
bonds (distance) P-C4' energy: -125.870
flat angles C4'-P-C4' energy: -153.608
flat angles P-C4'-P energy: -93.525
tors. eta vs tors. theta energy: -163.233
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: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1797.729017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.729017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.729017 (E_RNA)
where:
Base-Base interactions energy: -1183.039
where: short stacking energy: -518.761
Base-Backbone interact. energy: 0.935
local terms energy: -615.624775
where:
bonds (distance) C4'-P energy: -121.629
bonds (distance) P-C4' energy: -137.603
flat angles C4'-P-C4' energy: -134.064
flat angles P-C4'-P energy: -86.909
tors. eta vs tors. theta energy: -135.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1781.738231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.738231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.738231 (E_RNA)
where:
Base-Base interactions energy: -1175.744
where: short stacking energy: -523.280
Base-Backbone interact. energy: -0.184
local terms energy: -605.810991
where:
bonds (distance) C4'-P energy: -110.397
bonds (distance) P-C4' energy: -134.390
flat angles C4'-P-C4' energy: -131.405
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: -136.770
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1472.278501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.278501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.278501 (E_RNA)
where:
Base-Base interactions energy: -974.859
where: short stacking energy: -433.238
Base-Backbone interact. energy: 2.053
local terms energy: -499.472395
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -119.042
flat angles C4'-P-C4' energy: -110.368
flat angles P-C4'-P energy: -74.894
tors. eta vs tors. theta energy: -83.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1303.019589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.019589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.019589 (E_RNA)
where:
Base-Base interactions energy: -795.667
where: short stacking energy: -416.377
Base-Backbone interact. energy: -2.251
local terms energy: -505.101178
where:
bonds (distance) C4'-P energy: -109.420
bonds (distance) P-C4' energy: -117.174
flat angles C4'-P-C4' energy: -112.684
flat angles P-C4'-P energy: -78.048
tors. eta vs tors. theta energy: -87.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1155.766250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.766250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.766250 (E_RNA)
where:
Base-Base interactions energy: -680.556
where: short stacking energy: -322.997
Base-Backbone interact. energy: -1.097
local terms energy: -474.112797
where:
bonds (distance) C4'-P energy: -125.639
bonds (distance) P-C4' energy: -120.268
flat angles C4'-P-C4' energy: -105.133
flat angles P-C4'-P energy: -61.132
tors. eta vs tors. theta energy: -61.941
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: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -573.852585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.852585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.852585 (E_RNA)
where:
Base-Base interactions energy: -193.008
where: short stacking energy: -134.864
Base-Backbone interact. energy: -2.950
local terms energy: -377.894323
where:
bonds (distance) C4'-P energy: -100.029
bonds (distance) P-C4' energy: -138.475
flat angles C4'-P-C4' energy: -102.958
flat angles P-C4'-P energy: -69.958
tors. eta vs tors. theta energy: 33.526
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: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2346.461548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.461548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.461548 (E_RNA)
where:
Base-Base interactions energy: -1607.980
where: short stacking energy: -696.458
Base-Backbone interact. energy: -5.596
local terms energy: -732.885071
where:
bonds (distance) C4'-P energy: -131.917
bonds (distance) P-C4' energy: -143.427
flat angles C4'-P-C4' energy: -162.781
flat angles P-C4'-P energy: -106.034
tors. eta vs tors. theta energy: -188.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2175.783956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.783956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.783956 (E_RNA)
where:
Base-Base interactions energy: -1458.594
where: short stacking energy: -650.558
Base-Backbone interact. energy: -1.686
local terms energy: -715.503536
where:
bonds (distance) C4'-P energy: -142.292
bonds (distance) P-C4' energy: -141.976
flat angles C4'-P-C4' energy: -161.506
flat angles P-C4'-P energy: -91.958
tors. eta vs tors. theta energy: -177.771
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: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2082.356038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.356038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.356038 (E_RNA)
where:
Base-Base interactions energy: -1391.387
where: short stacking energy: -660.161
Base-Backbone interact. energy: -1.396
local terms energy: -689.573530
where:
bonds (distance) C4'-P energy: -121.796
bonds (distance) P-C4' energy: -131.424
flat angles C4'-P-C4' energy: -160.125
flat angles P-C4'-P energy: -95.192
tors. eta vs tors. theta energy: -181.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2044.360248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.360248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.360248 (E_RNA)
where:
Base-Base interactions energy: -1412.649
where: short stacking energy: -587.610
Base-Backbone interact. energy: -0.595
local terms energy: -631.115883
where:
bonds (distance) C4'-P energy: -115.880
bonds (distance) P-C4' energy: -128.910
flat angles C4'-P-C4' energy: -139.777
flat angles P-C4'-P energy: -80.431
tors. eta vs tors. theta energy: -166.118
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: 68
Temperature: 1.100000
Total energy: -1845.057974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.057974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.057974 (E_RNA)
where:
Base-Base interactions energy: -1225.318
where: short stacking energy: -565.295
Base-Backbone interact. energy: 0.424
local terms energy: -620.163879
where:
bonds (distance) C4'-P energy: -113.887
bonds (distance) P-C4' energy: -124.208
flat angles C4'-P-C4' energy: -149.105
flat angles P-C4'-P energy: -82.747
tors. eta vs tors. theta energy: -150.216
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: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1740.031799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.031799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.031799 (E_RNA)
where:
Base-Base interactions energy: -1175.370
where: short stacking energy: -538.554
Base-Backbone interact. energy: -0.971
local terms energy: -563.690656
where:
bonds (distance) C4'-P energy: -129.481
bonds (distance) P-C4' energy: -118.685
flat angles C4'-P-C4' energy: -129.438
flat angles P-C4'-P energy: -55.652
tors. eta vs tors. theta energy: -130.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1448.022082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.022082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.022082 (E_RNA)
where:
Base-Base interactions energy: -944.087
where: short stacking energy: -442.308
Base-Backbone interact. energy: -3.956
local terms energy: -499.978748
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -129.076
flat angles C4'-P-C4' energy: -107.617
flat angles P-C4'-P energy: -77.913
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1286.333356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.333356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.333356 (E_RNA)
where:
Base-Base interactions energy: -780.341
where: short stacking energy: -376.080
Base-Backbone interact. energy: -1.353
local terms energy: -504.639022
where:
bonds (distance) C4'-P energy: -110.546
bonds (distance) P-C4' energy: -126.391
flat angles C4'-P-C4' energy: -128.525
flat angles P-C4'-P energy: -67.610
tors. eta vs tors. theta energy: -71.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1118.790086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.790086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.790086 (E_RNA)
where:
Base-Base interactions energy: -676.122
where: short stacking energy: -354.251
Base-Backbone interact. energy: 4.865
local terms energy: -447.532706
where:
bonds (distance) C4'-P energy: -104.488
bonds (distance) P-C4' energy: -124.828
flat angles C4'-P-C4' energy: -102.674
flat angles P-C4'-P energy: -49.440
tors. eta vs tors. theta energy: -66.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -568.591551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.591551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.591551 (E_RNA)
where:
Base-Base interactions energy: -226.398
where: short stacking energy: -171.236
Base-Backbone interact. energy: -1.810
local terms energy: -340.383221
where:
bonds (distance) C4'-P energy: -104.215
bonds (distance) P-C4' energy: -116.450
flat angles C4'-P-C4' energy: -93.833
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: 25.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2347.797987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.797987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.797987 (E_RNA)
where:
Base-Base interactions energy: -1592.082
where: short stacking energy: -684.116
Base-Backbone interact. energy: 1.644
local terms energy: -757.359803
where:
bonds (distance) C4'-P energy: -136.292
bonds (distance) P-C4' energy: -142.948
flat angles C4'-P-C4' energy: -166.170
flat angles P-C4'-P energy: -116.357
tors. eta vs tors. theta energy: -195.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2190.179276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.179276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.179276 (E_RNA)
where:
Base-Base interactions energy: -1486.389
where: short stacking energy: -621.613
Base-Backbone interact. energy: -2.860
local terms energy: -700.930800
where:
bonds (distance) C4'-P energy: -141.530
bonds (distance) P-C4' energy: -138.255
flat angles C4'-P-C4' energy: -145.980
flat angles P-C4'-P energy: -104.116
tors. eta vs tors. theta energy: -171.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2105.990803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.990803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.990803 (E_RNA)
where:
Base-Base interactions energy: -1414.568
where: short stacking energy: -646.447
Base-Backbone interact. energy: -5.855
local terms energy: -685.568137
where:
bonds (distance) C4'-P energy: -130.462
bonds (distance) P-C4' energy: -133.156
flat angles C4'-P-C4' energy: -149.002
flat angles P-C4'-P energy: -89.215
tors. eta vs tors. theta energy: -183.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2084.424085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.424085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.424085 (E_RNA)
where:
Base-Base interactions energy: -1425.682
where: short stacking energy: -617.534
Base-Backbone interact. energy: -1.216
local terms energy: -657.526132
where:
bonds (distance) C4'-P energy: -133.440
bonds (distance) P-C4' energy: -116.552
flat angles C4'-P-C4' energy: -146.260
flat angles P-C4'-P energy: -91.072
tors. eta vs tors. theta energy: -170.202
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: 69
Temperature: 1.100000
Total energy: -1867.578486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.578486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.578486 (E_RNA)
where:
Base-Base interactions energy: -1228.382
where: short stacking energy: -569.061
Base-Backbone interact. energy: -0.795
local terms energy: -638.401177
where:
bonds (distance) C4'-P energy: -126.892
bonds (distance) P-C4' energy: -140.966
flat angles C4'-P-C4' energy: -136.087
flat angles P-C4'-P energy: -88.776
tors. eta vs tors. theta energy: -145.680
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: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1733.418040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.418040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.418040 (E_RNA)
where:
Base-Base interactions energy: -1135.142
where: short stacking energy: -534.048
Base-Backbone interact. energy: 2.248
local terms energy: -600.524237
where:
bonds (distance) C4'-P energy: -124.697
bonds (distance) P-C4' energy: -125.032
flat angles C4'-P-C4' energy: -122.759
flat angles P-C4'-P energy: -90.163
tors. eta vs tors. theta energy: -137.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1467.247928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.247928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.247928 (E_RNA)
where:
Base-Base interactions energy: -942.147
where: short stacking energy: -431.116
Base-Backbone interact. energy: -0.359
local terms energy: -524.742618
where:
bonds (distance) C4'-P energy: -107.891
bonds (distance) P-C4' energy: -115.153
flat angles C4'-P-C4' energy: -126.823
flat angles P-C4'-P energy: -85.792
tors. eta vs tors. theta energy: -89.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1314.150407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.150407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.150407 (E_RNA)
where:
Base-Base interactions energy: -788.792
where: short stacking energy: -380.296
Base-Backbone interact. energy: -3.307
local terms energy: -522.051213
where:
bonds (distance) C4'-P energy: -110.539
bonds (distance) P-C4' energy: -115.114
flat angles C4'-P-C4' energy: -144.283
flat angles P-C4'-P energy: -72.651
tors. eta vs tors. theta energy: -79.465
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: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1078.142791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.142791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.142791 (E_RNA)
where:
Base-Base interactions energy: -613.355
where: short stacking energy: -319.011
Base-Backbone interact. energy: -0.261
local terms energy: -464.527308
where:
bonds (distance) C4'-P energy: -111.795
bonds (distance) P-C4' energy: -121.691
flat angles C4'-P-C4' energy: -108.056
flat angles P-C4'-P energy: -68.815
tors. eta vs tors. theta energy: -54.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -534.700307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.700307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.700307 (E_RNA)
where:
Base-Base interactions energy: -177.142
where: short stacking energy: -164.753
Base-Backbone interact. energy: -0.206
local terms energy: -357.351942
where:
bonds (distance) C4'-P energy: -111.678
bonds (distance) P-C4' energy: -115.995
flat angles C4'-P-C4' energy: -102.466
flat angles P-C4'-P energy: -47.105
tors. eta vs tors. theta energy: 19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2338.124270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.124270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.124270 (E_RNA)
where:
Base-Base interactions energy: -1589.382
where: short stacking energy: -694.220
Base-Backbone interact. energy: -1.596
local terms energy: -747.146072
where:
bonds (distance) C4'-P energy: -140.094
bonds (distance) P-C4' energy: -147.761
flat angles C4'-P-C4' energy: -159.937
flat angles P-C4'-P energy: -108.372
tors. eta vs tors. theta energy: -190.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2150.300873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.300873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.300873 (E_RNA)
where:
Base-Base interactions energy: -1473.617
where: short stacking energy: -652.689
Base-Backbone interact. energy: -2.439
local terms energy: -674.244788
where:
bonds (distance) C4'-P energy: -141.363
bonds (distance) P-C4' energy: -119.009
flat angles C4'-P-C4' energy: -158.531
flat angles P-C4'-P energy: -91.823
tors. eta vs tors. theta energy: -163.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2137.588513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.588513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.588513 (E_RNA)
where:
Base-Base interactions energy: -1428.827
where: short stacking energy: -656.013
Base-Backbone interact. energy: 1.617
local terms energy: -710.379021
where:
bonds (distance) C4'-P energy: -131.856
bonds (distance) P-C4' energy: -135.061
flat angles C4'-P-C4' energy: -157.561
flat angles P-C4'-P energy: -96.890
tors. eta vs tors. theta energy: -189.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2044.317867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.317867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.317867 (E_RNA)
where:
Base-Base interactions energy: -1383.156
where: short stacking energy: -593.433
Base-Backbone interact. energy: 1.000
local terms energy: -662.162382
where:
bonds (distance) C4'-P energy: -128.339
bonds (distance) P-C4' energy: -129.388
flat angles C4'-P-C4' energy: -139.995
flat angles P-C4'-P energy: -96.702
tors. eta vs tors. theta energy: -167.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1896.633362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.633362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.633362 (E_RNA)
where:
Base-Base interactions energy: -1268.976
where: short stacking energy: -575.364
Base-Backbone interact. energy: 0.559
local terms energy: -628.216225
where:
bonds (distance) C4'-P energy: -122.844
bonds (distance) P-C4' energy: -127.437
flat angles C4'-P-C4' energy: -137.343
flat angles P-C4'-P energy: -85.338
tors. eta vs tors. theta energy: -155.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1730.570204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.570204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.570204 (E_RNA)
where:
Base-Base interactions energy: -1146.861
where: short stacking energy: -513.542
Base-Backbone interact. energy: -2.455
local terms energy: -581.254222
where:
bonds (distance) C4'-P energy: -132.232
bonds (distance) P-C4' energy: -123.570
flat angles C4'-P-C4' energy: -130.714
flat angles P-C4'-P energy: -76.068
tors. eta vs tors. theta energy: -118.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1488.640380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.640380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.640380 (E_RNA)
where:
Base-Base interactions energy: -936.403
where: short stacking energy: -406.849
Base-Backbone interact. energy: -1.895
local terms energy: -550.342639
where:
bonds (distance) C4'-P energy: -104.400
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -133.529
flat angles P-C4'-P energy: -93.305
tors. eta vs tors. theta energy: -86.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1373.176978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.176978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.176978 (E_RNA)
where:
Base-Base interactions energy: -864.137
where: short stacking energy: -421.899
Base-Backbone interact. energy: 1.280
local terms energy: -510.319070
where:
bonds (distance) C4'-P energy: -111.073
bonds (distance) P-C4' energy: -124.877
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -69.547
tors. eta vs tors. theta energy: -86.764
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: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1067.499031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.499031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.499031 (E_RNA)
where:
Base-Base interactions energy: -606.264
where: short stacking energy: -302.389
Base-Backbone interact. energy: 3.504
local terms energy: -464.738690
where:
bonds (distance) C4'-P energy: -121.390
bonds (distance) P-C4' energy: -122.355
flat angles C4'-P-C4' energy: -116.772
flat angles P-C4'-P energy: -53.801
tors. eta vs tors. theta energy: -50.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -559.029930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.029930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.029930 (E_RNA)
where:
Base-Base interactions energy: -198.437
where: short stacking energy: -178.089
Base-Backbone interact. energy: -1.162
local terms energy: -359.430290
where:
bonds (distance) C4'-P energy: -89.729
bonds (distance) P-C4' energy: -121.518
flat angles C4'-P-C4' energy: -107.021
flat angles P-C4'-P energy: -56.122
tors. eta vs tors. theta energy: 14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2329.344308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.344308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.344308 (E_RNA)
where:
Base-Base interactions energy: -1596.513
where: short stacking energy: -704.184
Base-Backbone interact. energy: -3.916
local terms energy: -728.915201
where:
bonds (distance) C4'-P energy: -133.523
bonds (distance) P-C4' energy: -146.145
flat angles C4'-P-C4' energy: -160.212
flat angles P-C4'-P energy: -106.530
tors. eta vs tors. theta energy: -182.505
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: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2125.762801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.762801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.762801 (E_RNA)
where:
Base-Base interactions energy: -1427.861
where: short stacking energy: -638.619
Base-Backbone interact. energy: -2.673
local terms energy: -695.228717
where:
bonds (distance) C4'-P energy: -125.347
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -160.502
flat angles P-C4'-P energy: -96.463
tors. eta vs tors. theta energy: -174.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2105.625086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.625086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.625086 (E_RNA)
where:
Base-Base interactions energy: -1377.781
where: short stacking energy: -607.727
Base-Backbone interact. energy: -2.032
local terms energy: -725.812715
where:
bonds (distance) C4'-P energy: -123.103
bonds (distance) P-C4' energy: -150.982
flat angles C4'-P-C4' energy: -163.759
flat angles P-C4'-P energy: -100.912
tors. eta vs tors. theta energy: -187.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2055.584996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.584996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.584996 (E_RNA)
where:
Base-Base interactions energy: -1393.348
where: short stacking energy: -594.665
Base-Backbone interact. energy: 2.885
local terms energy: -665.122006
where:
bonds (distance) C4'-P energy: -115.092
bonds (distance) P-C4' energy: -130.239
flat angles C4'-P-C4' energy: -157.267
flat angles P-C4'-P energy: -89.440
tors. eta vs tors. theta energy: -173.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1889.114790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.114790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.114790 (E_RNA)
where:
Base-Base interactions energy: -1277.525
where: short stacking energy: -574.032
Base-Backbone interact. energy: -2.700
local terms energy: -608.889895
where:
bonds (distance) C4'-P energy: -123.672
bonds (distance) P-C4' energy: -123.105
flat angles C4'-P-C4' energy: -124.837
flat angles P-C4'-P energy: -95.098
tors. eta vs tors. theta energy: -142.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1723.072419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.072419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.072419 (E_RNA)
where:
Base-Base interactions energy: -1143.133
where: short stacking energy: -505.774
Base-Backbone interact. energy: -1.094
local terms energy: -578.845023
where:
bonds (distance) C4'-P energy: -118.023
bonds (distance) P-C4' energy: -128.307
flat angles C4'-P-C4' energy: -122.688
flat angles P-C4'-P energy: -82.155
tors. eta vs tors. theta energy: -127.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1516.023710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.023710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.023710 (E_RNA)
where:
Base-Base interactions energy: -952.673
where: short stacking energy: -436.874
Base-Backbone interact. energy: -3.672
local terms energy: -559.679335
where:
bonds (distance) C4'-P energy: -129.733
bonds (distance) P-C4' energy: -116.941
flat angles C4'-P-C4' energy: -130.544
flat angles P-C4'-P energy: -74.767
tors. eta vs tors. theta energy: -107.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1355.279197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.279197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.279197 (E_RNA)
where:
Base-Base interactions energy: -830.219
where: short stacking energy: -398.344
Base-Backbone interact. energy: -3.805
local terms energy: -521.254588
where:
bonds (distance) C4'-P energy: -114.658
bonds (distance) P-C4' energy: -112.208
flat angles C4'-P-C4' energy: -123.431
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -89.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1041.180225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.180225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.180225 (E_RNA)
where:
Base-Base interactions energy: -595.348
where: short stacking energy: -310.326
Base-Backbone interact. energy: -1.422
local terms energy: -444.410071
where:
bonds (distance) C4'-P energy: -115.520
bonds (distance) P-C4' energy: -115.526
flat angles C4'-P-C4' energy: -115.198
flat angles P-C4'-P energy: -63.646
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -536.057753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.057753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.057753 (E_RNA)
where:
Base-Base interactions energy: -207.088
where: short stacking energy: -184.798
Base-Backbone interact. energy: -0.870
local terms energy: -328.100183
where:
bonds (distance) C4'-P energy: -81.198
bonds (distance) P-C4' energy: -111.273
flat angles C4'-P-C4' energy: -92.933
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: 25.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2301.405023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.405023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.405023 (E_RNA)
where:
Base-Base interactions energy: -1581.056
where: short stacking energy: -660.675
Base-Backbone interact. energy: -0.583
local terms energy: -719.765959
where:
bonds (distance) C4'-P energy: -138.087
bonds (distance) P-C4' energy: -147.655
flat angles C4'-P-C4' energy: -154.948
flat angles P-C4'-P energy: -100.020
tors. eta vs tors. theta energy: -179.055
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: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2166.912989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.912989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.912989 (E_RNA)
where:
Base-Base interactions energy: -1479.234
where: short stacking energy: -636.128
Base-Backbone interact. energy: -1.212
local terms energy: -686.466473
where:
bonds (distance) C4'-P energy: -125.912
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -147.300
flat angles P-C4'-P energy: -95.693
tors. eta vs tors. theta energy: -176.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2120.326545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.326545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.326545 (E_RNA)
where:
Base-Base interactions energy: -1390.957
where: short stacking energy: -649.553
Base-Backbone interact. energy: -2.371
local terms energy: -726.998794
where:
bonds (distance) C4'-P energy: -130.549
bonds (distance) P-C4' energy: -149.803
flat angles C4'-P-C4' energy: -152.145
flat angles P-C4'-P energy: -112.448
tors. eta vs tors. theta energy: -182.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2015.787575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.787575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.787575 (E_RNA)
where:
Base-Base interactions energy: -1344.310
where: short stacking energy: -584.533
Base-Backbone interact. energy: -2.750
local terms energy: -668.728003
where:
bonds (distance) C4'-P energy: -130.861
bonds (distance) P-C4' energy: -132.143
flat angles C4'-P-C4' energy: -152.631
flat angles P-C4'-P energy: -99.992
tors. eta vs tors. theta energy: -153.101
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: 72
Temperature: 1.100000
Total energy: -1881.573060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.573060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.573060 (E_RNA)
where:
Base-Base interactions energy: -1270.231
where: short stacking energy: -562.069
Base-Backbone interact. energy: -1.791
local terms energy: -609.551261
where:
bonds (distance) C4'-P energy: -121.676
bonds (distance) P-C4' energy: -132.537
flat angles C4'-P-C4' energy: -130.629
flat angles P-C4'-P energy: -84.105
tors. eta vs tors. theta energy: -140.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1795.342804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.342804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.342804 (E_RNA)
where:
Base-Base interactions energy: -1205.594
where: short stacking energy: -529.060
Base-Backbone interact. energy: 0.054
local terms energy: -589.803250
where:
bonds (distance) C4'-P energy: -101.850
bonds (distance) P-C4' energy: -120.376
flat angles C4'-P-C4' energy: -138.465
flat angles P-C4'-P energy: -79.446
tors. eta vs tors. theta energy: -149.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1512.129101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.129101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.129101 (E_RNA)
where:
Base-Base interactions energy: -978.040
where: short stacking energy: -449.062
Base-Backbone interact. energy: -0.370
local terms energy: -533.718960
where:
bonds (distance) C4'-P energy: -108.455
bonds (distance) P-C4' energy: -116.807
flat angles C4'-P-C4' energy: -137.936
flat angles P-C4'-P energy: -62.040
tors. eta vs tors. theta energy: -108.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1349.833302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.833302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.833302 (E_RNA)
where:
Base-Base interactions energy: -854.911
where: short stacking energy: -402.393
Base-Backbone interact. energy: -2.040
local terms energy: -492.882204
where:
bonds (distance) C4'-P energy: -102.778
bonds (distance) P-C4' energy: -117.502
flat angles C4'-P-C4' energy: -112.881
flat angles P-C4'-P energy: -76.201
tors. eta vs tors. theta energy: -83.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1069.192493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.192493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.192493 (E_RNA)
where:
Base-Base interactions energy: -607.208
where: short stacking energy: -295.326
Base-Backbone interact. energy: -2.033
local terms energy: -459.950637
where:
bonds (distance) C4'-P energy: -116.995
bonds (distance) P-C4' energy: -116.359
flat angles C4'-P-C4' energy: -107.101
flat angles P-C4'-P energy: -76.821
tors. eta vs tors. theta energy: -42.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -547.805063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.805063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.805063 (E_RNA)
where:
Base-Base interactions energy: -182.966
where: short stacking energy: -154.971
Base-Backbone interact. energy: -1.230
local terms energy: -363.608649
where:
bonds (distance) C4'-P energy: -105.546
bonds (distance) P-C4' energy: -113.599
flat angles C4'-P-C4' energy: -114.236
flat angles P-C4'-P energy: -65.016
tors. eta vs tors. theta energy: 34.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2341.240269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.240269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.240269 (E_RNA)
where:
Base-Base interactions energy: -1636.934
where: short stacking energy: -695.135
Base-Backbone interact. energy: -5.831
local terms energy: -698.475927
where:
bonds (distance) C4'-P energy: -130.353
bonds (distance) P-C4' energy: -139.176
flat angles C4'-P-C4' energy: -160.183
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -178.567
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: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2207.331256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.331256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.331256 (E_RNA)
where:
Base-Base interactions energy: -1458.841
where: short stacking energy: -690.763
Base-Backbone interact. energy: -6.933
local terms energy: -741.557778
where:
bonds (distance) C4'-P energy: -130.439
bonds (distance) P-C4' energy: -147.144
flat angles C4'-P-C4' energy: -153.878
flat angles P-C4'-P energy: -107.553
tors. eta vs tors. theta energy: -202.543
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: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2135.130020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.130020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.130020 (E_RNA)
where:
Base-Base interactions energy: -1457.329
where: short stacking energy: -640.809
Base-Backbone interact. energy: -0.932
local terms energy: -676.868329
where:
bonds (distance) C4'-P energy: -110.406
bonds (distance) P-C4' energy: -140.739
flat angles C4'-P-C4' energy: -154.412
flat angles P-C4'-P energy: -87.652
tors. eta vs tors. theta energy: -183.659
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: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2072.884379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.884379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.884379 (E_RNA)
where:
Base-Base interactions energy: -1406.913
where: short stacking energy: -586.519
Base-Backbone interact. energy: -2.851
local terms energy: -663.121089
where:
bonds (distance) C4'-P energy: -103.897
bonds (distance) P-C4' energy: -142.933
flat angles C4'-P-C4' energy: -135.406
flat angles P-C4'-P energy: -99.009
tors. eta vs tors. theta energy: -181.877
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: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1880.887828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.887828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.887828 (E_RNA)
where:
Base-Base interactions energy: -1246.019
where: short stacking energy: -543.730
Base-Backbone interact. energy: 1.242
local terms energy: -636.111191
where:
bonds (distance) C4'-P energy: -117.174
bonds (distance) P-C4' energy: -140.729
flat angles C4'-P-C4' energy: -151.306
flat angles P-C4'-P energy: -91.158
tors. eta vs tors. theta energy: -135.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1769.035333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.035333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.035333 (E_RNA)
where:
Base-Base interactions energy: -1172.050
where: short stacking energy: -535.852
Base-Backbone interact. energy: -4.682
local terms energy: -592.302745
where:
bonds (distance) C4'-P energy: -102.883
bonds (distance) P-C4' energy: -126.508
flat angles C4'-P-C4' energy: -142.764
flat angles P-C4'-P energy: -75.510
tors. eta vs tors. theta energy: -144.638
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: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1582.329164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.329164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.329164 (E_RNA)
where:
Base-Base interactions energy: -1024.247
where: short stacking energy: -483.861
Base-Backbone interact. energy: -1.069
local terms energy: -557.013281
where:
bonds (distance) C4'-P energy: -103.349
bonds (distance) P-C4' energy: -122.902
flat angles C4'-P-C4' energy: -135.396
flat angles P-C4'-P energy: -78.764
tors. eta vs tors. theta energy: -116.602
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: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1342.067275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.067275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.067275 (E_RNA)
where:
Base-Base interactions energy: -835.302
where: short stacking energy: -419.439
Base-Backbone interact. energy: 1.233
local terms energy: -507.998918
where:
bonds (distance) C4'-P energy: -113.566
bonds (distance) P-C4' energy: -139.155
flat angles C4'-P-C4' energy: -106.638
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -80.210
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: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1080.874857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.874857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.874857 (E_RNA)
where:
Base-Base interactions energy: -662.363
where: short stacking energy: -333.339
Base-Backbone interact. energy: 5.969
local terms energy: -424.480551
where:
bonds (distance) C4'-P energy: -116.583
bonds (distance) P-C4' energy: -83.993
flat angles C4'-P-C4' energy: -109.945
flat angles P-C4'-P energy: -64.657
tors. eta vs tors. theta energy: -49.302
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: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -565.095713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.095713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.095713 (E_RNA)
where:
Base-Base interactions energy: -195.170
where: short stacking energy: -130.057
Base-Backbone interact. energy: 2.630
local terms energy: -372.556027
where:
bonds (distance) C4'-P energy: -124.447
bonds (distance) P-C4' energy: -119.815
flat angles C4'-P-C4' energy: -100.540
flat angles P-C4'-P energy: -60.314
tors. eta vs tors. theta energy: 32.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2375.206103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.206103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.206103 (E_RNA)
where:
Base-Base interactions energy: -1629.381
where: short stacking energy: -718.106
Base-Backbone interact. energy: 0.590
local terms energy: -746.414900
where:
bonds (distance) C4'-P energy: -140.887
bonds (distance) P-C4' energy: -142.033
flat angles C4'-P-C4' energy: -163.236
flat angles P-C4'-P energy: -101.619
tors. eta vs tors. theta energy: -198.640
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: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2247.513507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.513507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.513507 (E_RNA)
where:
Base-Base interactions energy: -1483.787
where: short stacking energy: -701.680
Base-Backbone interact. energy: -6.545
local terms energy: -757.181232
where:
bonds (distance) C4'-P energy: -145.236
bonds (distance) P-C4' energy: -135.757
flat angles C4'-P-C4' energy: -164.139
flat angles P-C4'-P energy: -106.657
tors. eta vs tors. theta energy: -205.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2163.655151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.655151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.655151 (E_RNA)
where:
Base-Base interactions energy: -1443.592
where: short stacking energy: -647.286
Base-Backbone interact. energy: -2.949
local terms energy: -717.114497
where:
bonds (distance) C4'-P energy: -122.075
bonds (distance) P-C4' energy: -152.749
flat angles C4'-P-C4' energy: -159.569
flat angles P-C4'-P energy: -95.615
tors. eta vs tors. theta energy: -187.107
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: 74
Temperature: 1.050000
Total energy: -2056.039291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.039291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.039291 (E_RNA)
where:
Base-Base interactions energy: -1392.812
where: short stacking energy: -632.717
Base-Backbone interact. energy: -3.038
local terms energy: -660.189308
where:
bonds (distance) C4'-P energy: -121.104
bonds (distance) P-C4' energy: -131.260
flat angles C4'-P-C4' energy: -153.519
flat angles P-C4'-P energy: -97.659
tors. eta vs tors. theta energy: -156.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1833.935219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.935219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.935219 (E_RNA)
where:
Base-Base interactions energy: -1230.379
where: short stacking energy: -529.410
Base-Backbone interact. energy: -2.702
local terms energy: -600.854485
where:
bonds (distance) C4'-P energy: -116.050
bonds (distance) P-C4' energy: -128.215
flat angles C4'-P-C4' energy: -127.754
flat angles P-C4'-P energy: -83.037
tors. eta vs tors. theta energy: -145.799
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: 74
Temperature: 1.150000
Total energy: -1769.200357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.200357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.200357 (E_RNA)
where:
Base-Base interactions energy: -1165.030
where: short stacking energy: -526.470
Base-Backbone interact. energy: -1.840
local terms energy: -602.330465
where:
bonds (distance) C4'-P energy: -117.260
bonds (distance) P-C4' energy: -126.847
flat angles C4'-P-C4' energy: -144.884
flat angles P-C4'-P energy: -79.482
tors. eta vs tors. theta energy: -133.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1561.248007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.248007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.248007 (E_RNA)
where:
Base-Base interactions energy: -1030.824
where: short stacking energy: -471.220
Base-Backbone interact. energy: -1.565
local terms energy: -528.858237
where:
bonds (distance) C4'-P energy: -108.978
bonds (distance) P-C4' energy: -117.131
flat angles C4'-P-C4' energy: -129.836
flat angles P-C4'-P energy: -53.647
tors. eta vs tors. theta energy: -119.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1268.689598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.689598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.689598 (E_RNA)
where:
Base-Base interactions energy: -770.937
where: short stacking energy: -371.628
Base-Backbone interact. energy: -2.074
local terms energy: -495.679207
where:
bonds (distance) C4'-P energy: -124.972
bonds (distance) P-C4' energy: -116.815
flat angles C4'-P-C4' energy: -127.294
flat angles P-C4'-P energy: -57.638
tors. eta vs tors. theta energy: -68.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1187.830229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.830229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.830229 (E_RNA)
where:
Base-Base interactions energy: -716.179
where: short stacking energy: -334.803
Base-Backbone interact. energy: -1.554
local terms energy: -470.097707
where:
bonds (distance) C4'-P energy: -115.576
bonds (distance) P-C4' energy: -112.923
flat angles C4'-P-C4' energy: -115.414
flat angles P-C4'-P energy: -84.024
tors. eta vs tors. theta energy: -42.161
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: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -564.604417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.604417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.604417 (E_RNA)
where:
Base-Base interactions energy: -205.960
where: short stacking energy: -185.479
Base-Backbone interact. energy: 1.884
local terms energy: -360.528352
where:
bonds (distance) C4'-P energy: -114.968
bonds (distance) P-C4' energy: -103.411
flat angles C4'-P-C4' energy: -93.507
flat angles P-C4'-P energy: -70.266
tors. eta vs tors. theta energy: 21.624
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: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2345.156869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.156869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.156869 (E_RNA)
where:
Base-Base interactions energy: -1607.598
where: short stacking energy: -691.729
Base-Backbone interact. energy: -1.133
local terms energy: -736.426250
where:
bonds (distance) C4'-P energy: -135.712
bonds (distance) P-C4' energy: -137.954
flat angles C4'-P-C4' energy: -172.920
flat angles P-C4'-P energy: -98.598
tors. eta vs tors. theta energy: -191.243
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: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2274.010238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.010238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.010238 (E_RNA)
where:
Base-Base interactions energy: -1506.863
where: short stacking energy: -701.599
Base-Backbone interact. energy: -3.189
local terms energy: -763.958894
where:
bonds (distance) C4'-P energy: -146.071
bonds (distance) P-C4' energy: -135.469
flat angles C4'-P-C4' energy: -161.092
flat angles P-C4'-P energy: -100.019
tors. eta vs tors. theta energy: -221.307
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: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2183.255032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.255032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.255032 (E_RNA)
where:
Base-Base interactions energy: -1515.196
where: short stacking energy: -637.638
Base-Backbone interact. energy: -0.124
local terms energy: -667.934792
where:
bonds (distance) C4'-P energy: -115.648
bonds (distance) P-C4' energy: -128.005
flat angles C4'-P-C4' energy: -156.961
flat angles P-C4'-P energy: -86.053
tors. eta vs tors. theta energy: -181.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1992.654560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.654560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.654560 (E_RNA)
where:
Base-Base interactions energy: -1342.703
where: short stacking energy: -589.714
Base-Backbone interact. energy: -0.131
local terms energy: -649.820370
where:
bonds (distance) C4'-P energy: -140.325
bonds (distance) P-C4' energy: -130.962
flat angles C4'-P-C4' energy: -140.839
flat angles P-C4'-P energy: -75.231
tors. eta vs tors. theta energy: -162.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1866.419589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.419589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.419589 (E_RNA)
where:
Base-Base interactions energy: -1261.543
where: short stacking energy: -541.457
Base-Backbone interact. energy: -1.264
local terms energy: -603.611756
where:
bonds (distance) C4'-P energy: -118.431
bonds (distance) P-C4' energy: -121.016
flat angles C4'-P-C4' energy: -126.773
flat angles P-C4'-P energy: -97.764
tors. eta vs tors. theta energy: -139.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1819.345076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.345076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.345076 (E_RNA)
where:
Base-Base interactions energy: -1207.156
where: short stacking energy: -521.046
Base-Backbone interact. energy: -1.502
local terms energy: -610.687485
where:
bonds (distance) C4'-P energy: -126.940
bonds (distance) P-C4' energy: -115.489
flat angles C4'-P-C4' energy: -141.264
flat angles P-C4'-P energy: -82.505
tors. eta vs tors. theta energy: -144.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1535.210915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.210915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.210915 (E_RNA)
where:
Base-Base interactions energy: -978.830
where: short stacking energy: -438.447
Base-Backbone interact. energy: -1.824
local terms energy: -554.557619
where:
bonds (distance) C4'-P energy: -111.304
bonds (distance) P-C4' energy: -113.425
flat angles C4'-P-C4' energy: -146.317
flat angles P-C4'-P energy: -62.507
tors. eta vs tors. theta energy: -121.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1283.760560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.760560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.760560 (E_RNA)
where:
Base-Base interactions energy: -795.351
where: short stacking energy: -404.872
Base-Backbone interact. energy: 0.397
local terms energy: -488.806569
where:
bonds (distance) C4'-P energy: -109.510
bonds (distance) P-C4' energy: -121.454
flat angles C4'-P-C4' energy: -113.878
flat angles P-C4'-P energy: -71.886
tors. eta vs tors. theta energy: -72.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1293.265888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.265888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.265888 (E_RNA)
where:
Base-Base interactions energy: -814.264
where: short stacking energy: -390.196
Base-Backbone interact. energy: 5.180
local terms energy: -484.181359
where:
bonds (distance) C4'-P energy: -109.645
bonds (distance) P-C4' energy: -121.242
flat angles C4'-P-C4' energy: -121.377
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -67.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -580.414086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.414086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.414086 (E_RNA)
where:
Base-Base interactions energy: -225.491
where: short stacking energy: -158.042
Base-Backbone interact. energy: -1.632
local terms energy: -353.291226
where:
bonds (distance) C4'-P energy: -102.444
bonds (distance) P-C4' energy: -126.382
flat angles C4'-P-C4' energy: -111.803
flat angles P-C4'-P energy: -44.384
tors. eta vs tors. theta energy: 31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2275.285810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.285810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.285810 (E_RNA)
where:
Base-Base interactions energy: -1512.204
where: short stacking energy: -715.191
Base-Backbone interact. energy: -3.759
local terms energy: -759.323222
where:
bonds (distance) C4'-P energy: -142.860
bonds (distance) P-C4' energy: -133.480
flat angles C4'-P-C4' energy: -154.348
flat angles P-C4'-P energy: -113.673
tors. eta vs tors. theta energy: -214.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2310.074660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.074660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.074660 (E_RNA)
where:
Base-Base interactions energy: -1561.896
where: short stacking energy: -699.478
Base-Backbone interact. energy: -3.117
local terms energy: -745.061327
where:
bonds (distance) C4'-P energy: -140.242
bonds (distance) P-C4' energy: -139.407
flat angles C4'-P-C4' energy: -168.162
flat angles P-C4'-P energy: -102.459
tors. eta vs tors. theta energy: -194.791
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: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2178.872612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.872612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.872612 (E_RNA)
where:
Base-Base interactions energy: -1485.405
where: short stacking energy: -629.803
Base-Backbone interact. energy: -3.309
local terms energy: -690.159151
where:
bonds (distance) C4'-P energy: -146.980
bonds (distance) P-C4' energy: -125.472
flat angles C4'-P-C4' energy: -153.627
flat angles P-C4'-P energy: -83.110
tors. eta vs tors. theta energy: -180.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1972.683745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.683745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.683745 (E_RNA)
where:
Base-Base interactions energy: -1324.541
where: short stacking energy: -589.984
Base-Backbone interact. energy: 3.182
local terms energy: -651.325519
where:
bonds (distance) C4'-P energy: -117.559
bonds (distance) P-C4' energy: -134.792
flat angles C4'-P-C4' energy: -158.955
flat angles P-C4'-P energy: -89.146
tors. eta vs tors. theta energy: -150.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1924.677180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.677180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.677180 (E_RNA)
where:
Base-Base interactions energy: -1278.508
where: short stacking energy: -567.971
Base-Backbone interact. energy: 4.170
local terms energy: -650.339638
where:
bonds (distance) C4'-P energy: -126.861
bonds (distance) P-C4' energy: -127.721
flat angles C4'-P-C4' energy: -138.898
flat angles P-C4'-P energy: -100.250
tors. eta vs tors. theta energy: -156.609
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: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1813.164711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.164711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.164711 (E_RNA)
where:
Base-Base interactions energy: -1235.814
where: short stacking energy: -518.013
Base-Backbone interact. energy: 1.024
local terms energy: -578.374401
where:
bonds (distance) C4'-P energy: -113.472
bonds (distance) P-C4' energy: -125.500
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -78.804
tors. eta vs tors. theta energy: -127.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1532.311880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.311880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.311880 (E_RNA)
where:
Base-Base interactions energy: -995.809
where: short stacking energy: -425.516
Base-Backbone interact. energy: -2.252
local terms energy: -534.250905
where:
bonds (distance) C4'-P energy: -117.629
bonds (distance) P-C4' energy: -118.804
flat angles C4'-P-C4' energy: -116.422
flat angles P-C4'-P energy: -84.892
tors. eta vs tors. theta energy: -96.504
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: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1255.539504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.539504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.539504 (E_RNA)
where:
Base-Base interactions energy: -784.972
where: short stacking energy: -380.125
Base-Backbone interact. energy: 2.637
local terms energy: -473.204381
where:
bonds (distance) C4'-P energy: -131.194
bonds (distance) P-C4' energy: -124.078
flat angles C4'-P-C4' energy: -110.556
flat angles P-C4'-P energy: -51.123
tors. eta vs tors. theta energy: -56.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1261.837631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.837631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.837631 (E_RNA)
where:
Base-Base interactions energy: -753.363
where: short stacking energy: -360.307
Base-Backbone interact. energy: -2.825
local terms energy: -505.650209
where:
bonds (distance) C4'-P energy: -117.257
bonds (distance) P-C4' energy: -134.738
flat angles C4'-P-C4' energy: -122.069
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: -69.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -575.184553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.184553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.184553 (E_RNA)
where:
Base-Base interactions energy: -243.608
where: short stacking energy: -155.222
Base-Backbone interact. energy: 2.800
local terms energy: -334.376478
where:
bonds (distance) C4'-P energy: -114.498
bonds (distance) P-C4' energy: -120.202
flat angles C4'-P-C4' energy: -90.701
flat angles P-C4'-P energy: -47.334
tors. eta vs tors. theta energy: 38.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2313.401876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.401876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.401876 (E_RNA)
where:
Base-Base interactions energy: -1552.441
where: short stacking energy: -727.091
Base-Backbone interact. energy: -3.310
local terms energy: -757.651086
where:
bonds (distance) C4'-P energy: -135.763
bonds (distance) P-C4' energy: -133.514
flat angles C4'-P-C4' energy: -160.636
flat angles P-C4'-P energy: -106.195
tors. eta vs tors. theta energy: -221.543
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: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2317.069531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.069531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.069531 (E_RNA)
where:
Base-Base interactions energy: -1593.447
where: short stacking energy: -698.812
Base-Backbone interact. energy: -5.306
local terms energy: -718.316684
where:
bonds (distance) C4'-P energy: -135.379
bonds (distance) P-C4' energy: -131.335
flat angles C4'-P-C4' energy: -161.890
flat angles P-C4'-P energy: -100.617
tors. eta vs tors. theta energy: -189.095
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: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2171.603188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.603188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.603188 (E_RNA)
where:
Base-Base interactions energy: -1479.507
where: short stacking energy: -624.585
Base-Backbone interact. energy: -2.324
local terms energy: -689.772665
where:
bonds (distance) C4'-P energy: -116.862
bonds (distance) P-C4' energy: -138.888
flat angles C4'-P-C4' energy: -161.059
flat angles P-C4'-P energy: -95.684
tors. eta vs tors. theta energy: -177.280
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: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1964.355613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.355613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.355613 (E_RNA)
where:
Base-Base interactions energy: -1331.509
where: short stacking energy: -613.118
Base-Backbone interact. energy: -2.777
local terms energy: -630.069123
where:
bonds (distance) C4'-P energy: -122.966
bonds (distance) P-C4' energy: -125.510
flat angles C4'-P-C4' energy: -139.622
flat angles P-C4'-P energy: -82.790
tors. eta vs tors. theta energy: -159.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1951.250529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.250529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.250529 (E_RNA)
where:
Base-Base interactions energy: -1298.173
where: short stacking energy: -574.174
Base-Backbone interact. energy: 4.954
local terms energy: -658.031917
where:
bonds (distance) C4'-P energy: -129.946
bonds (distance) P-C4' energy: -127.821
flat angles C4'-P-C4' energy: -129.461
flat angles P-C4'-P energy: -102.832
tors. eta vs tors. theta energy: -167.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1799.998461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.998461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.998461 (E_RNA)
where:
Base-Base interactions energy: -1199.953
where: short stacking energy: -510.345
Base-Backbone interact. energy: -1.055
local terms energy: -598.990427
where:
bonds (distance) C4'-P energy: -118.998
bonds (distance) P-C4' energy: -132.963
flat angles C4'-P-C4' energy: -143.112
flat angles P-C4'-P energy: -74.963
tors. eta vs tors. theta energy: -128.954
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: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1543.653371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.653371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.653371 (E_RNA)
where:
Base-Base interactions energy: -991.049
where: short stacking energy: -467.853
Base-Backbone interact. energy: -0.076
local terms energy: -552.528760
where:
bonds (distance) C4'-P energy: -120.789
bonds (distance) P-C4' energy: -105.899
flat angles C4'-P-C4' energy: -140.592
flat angles P-C4'-P energy: -85.509
tors. eta vs tors. theta energy: -99.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1297.861640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.861640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.861640 (E_RNA)
where:
Base-Base interactions energy: -803.769
where: short stacking energy: -407.795
Base-Backbone interact. energy: -2.319
local terms energy: -491.774434
where:
bonds (distance) C4'-P energy: -97.633
bonds (distance) P-C4' energy: -139.831
flat angles C4'-P-C4' energy: -121.130
flat angles P-C4'-P energy: -61.684
tors. eta vs tors. theta energy: -71.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1148.923408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.923408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.923408 (E_RNA)
where:
Base-Base interactions energy: -674.263
where: short stacking energy: -319.855
Base-Backbone interact. energy: -0.033
local terms energy: -474.627488
where:
bonds (distance) C4'-P energy: -119.839
bonds (distance) P-C4' energy: -115.759
flat angles C4'-P-C4' energy: -120.817
flat angles P-C4'-P energy: -71.912
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -579.584979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.584979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.584979 (E_RNA)
where:
Base-Base interactions energy: -207.750
where: short stacking energy: -171.793
Base-Backbone interact. energy: 7.294
local terms energy: -379.128447
where:
bonds (distance) C4'-P energy: -94.530
bonds (distance) P-C4' energy: -113.049
flat angles C4'-P-C4' energy: -103.659
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -0.116
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: 78
Temperature: 0.900000
Total energy: -2366.378331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.378331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.378331 (E_RNA)
where:
Base-Base interactions energy: -1638.682
where: short stacking energy: -686.538
Base-Backbone interact. energy: -3.842
local terms energy: -723.854414
where:
bonds (distance) C4'-P energy: -139.829
bonds (distance) P-C4' energy: -140.708
flat angles C4'-P-C4' energy: -158.043
flat angles P-C4'-P energy: -103.360
tors. eta vs tors. theta energy: -181.913
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: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2269.381865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.381865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.381865 (E_RNA)
where:
Base-Base interactions energy: -1500.327
where: short stacking energy: -683.646
Base-Backbone interact. energy: 0.407
local terms energy: -769.461778
where:
bonds (distance) C4'-P energy: -133.147
bonds (distance) P-C4' energy: -148.632
flat angles C4'-P-C4' energy: -170.542
flat angles P-C4'-P energy: -109.134
tors. eta vs tors. theta energy: -208.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2193.183475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.183475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.183475 (E_RNA)
where:
Base-Base interactions energy: -1483.578
where: short stacking energy: -649.419
Base-Backbone interact. energy: -5.420
local terms energy: -704.185560
where:
bonds (distance) C4'-P energy: -127.329
bonds (distance) P-C4' energy: -149.518
flat angles C4'-P-C4' energy: -160.834
flat angles P-C4'-P energy: -89.991
tors. eta vs tors. theta energy: -176.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2008.925597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.925597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.925597 (E_RNA)
where:
Base-Base interactions energy: -1353.051
where: short stacking energy: -605.826
Base-Backbone interact. energy: -5.740
local terms energy: -650.134109
where:
bonds (distance) C4'-P energy: -102.205
bonds (distance) P-C4' energy: -128.311
flat angles C4'-P-C4' energy: -152.959
flat angles P-C4'-P energy: -91.100
tors. eta vs tors. theta energy: -175.560
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: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1873.536580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.536580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.536580 (E_RNA)
where:
Base-Base interactions energy: -1237.160
where: short stacking energy: -556.111
Base-Backbone interact. energy: -4.516
local terms energy: -631.860726
where:
bonds (distance) C4'-P energy: -131.240
bonds (distance) P-C4' energy: -135.413
flat angles C4'-P-C4' energy: -133.668
flat angles P-C4'-P energy: -82.773
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: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1878.493015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.493015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.493015 (E_RNA)
where:
Base-Base interactions energy: -1258.383
where: short stacking energy: -560.402
Base-Backbone interact. energy: -2.064
local terms energy: -618.046253
where:
bonds (distance) C4'-P energy: -117.762
bonds (distance) P-C4' energy: -142.004
flat angles C4'-P-C4' energy: -129.846
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -142.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1501.050208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.050208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.050208 (E_RNA)
where:
Base-Base interactions energy: -993.007
where: short stacking energy: -432.595
Base-Backbone interact. energy: 1.914
local terms energy: -509.956993
where:
bonds (distance) C4'-P energy: -116.315
bonds (distance) P-C4' energy: -117.546
flat angles C4'-P-C4' energy: -127.874
flat angles P-C4'-P energy: -63.869
tors. eta vs tors. theta energy: -84.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1329.272494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.272494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.272494 (E_RNA)
where:
Base-Base interactions energy: -844.028
where: short stacking energy: -391.879
Base-Backbone interact. energy: -3.569
local terms energy: -481.675594
where:
bonds (distance) C4'-P energy: -118.221
bonds (distance) P-C4' energy: -111.319
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -70.587
tors. eta vs tors. theta energy: -73.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1093.305247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.305247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.305247 (E_RNA)
where:
Base-Base interactions energy: -664.880
where: short stacking energy: -325.613
Base-Backbone interact. energy: -0.636
local terms energy: -427.789470
where:
bonds (distance) C4'-P energy: -118.455
bonds (distance) P-C4' energy: -105.375
flat angles C4'-P-C4' energy: -101.177
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: -37.951
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -545.997583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.997583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.997583 (E_RNA)
where:
Base-Base interactions energy: -216.172
where: short stacking energy: -158.853
Base-Backbone interact. energy: 0.582
local terms energy: -330.406942
where:
bonds (distance) C4'-P energy: -94.214
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -74.141
flat angles P-C4'-P energy: -53.692
tors. eta vs tors. theta energy: 8.435
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: 79
Temperature: 0.900000
Total energy: -2360.631385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.631385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.631385 (E_RNA)
where:
Base-Base interactions energy: -1608.476
where: short stacking energy: -680.196
Base-Backbone interact. energy: -6.104
local terms energy: -746.051374
where:
bonds (distance) C4'-P energy: -138.198
bonds (distance) P-C4' energy: -151.914
flat angles C4'-P-C4' energy: -160.900
flat angles P-C4'-P energy: -108.104
tors. eta vs tors. theta energy: -186.934
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2239.508289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.508289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.508289 (E_RNA)
where:
Base-Base interactions energy: -1503.085
where: short stacking energy: -676.218
Base-Backbone interact. energy: -0.245
local terms energy: -736.178097
where:
bonds (distance) C4'-P energy: -132.448
bonds (distance) P-C4' energy: -145.826
flat angles C4'-P-C4' energy: -150.544
flat angles P-C4'-P energy: -103.353
tors. eta vs tors. theta energy: -204.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2191.582116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.582116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.582116 (E_RNA)
where:
Base-Base interactions energy: -1479.960
where: short stacking energy: -621.419
Base-Backbone interact. energy: -3.252
local terms energy: -708.370302
where:
bonds (distance) C4'-P energy: -125.139
bonds (distance) P-C4' energy: -151.147
flat angles C4'-P-C4' energy: -163.850
flat angles P-C4'-P energy: -92.100
tors. eta vs tors. theta energy: -176.134
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: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2036.345966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.345966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.345966 (E_RNA)
where:
Base-Base interactions energy: -1378.681
where: short stacking energy: -625.258
Base-Backbone interact. energy: 2.584
local terms energy: -660.249673
where:
bonds (distance) C4'-P energy: -112.840
bonds (distance) P-C4' energy: -141.778
flat angles C4'-P-C4' energy: -131.481
flat angles P-C4'-P energy: -104.754
tors. eta vs tors. theta energy: -169.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1921.473276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.473276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.473276 (E_RNA)
where:
Base-Base interactions energy: -1310.879
where: short stacking energy: -582.585
Base-Backbone interact. energy: -1.137
local terms energy: -609.457281
where:
bonds (distance) C4'-P energy: -102.258
bonds (distance) P-C4' energy: -136.291
flat angles C4'-P-C4' energy: -129.036
flat angles P-C4'-P energy: -93.504
tors. eta vs tors. theta energy: -148.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1887.946993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.946993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.946993 (E_RNA)
where:
Base-Base interactions energy: -1254.160
where: short stacking energy: -578.825
Base-Backbone interact. energy: -0.233
local terms energy: -633.554373
where:
bonds (distance) C4'-P energy: -123.080
bonds (distance) P-C4' energy: -136.887
flat angles C4'-P-C4' energy: -141.753
flat angles P-C4'-P energy: -84.757
tors. eta vs tors. theta energy: -147.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1613.994972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.994972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.994972 (E_RNA)
where:
Base-Base interactions energy: -1061.710
where: short stacking energy: -488.353
Base-Backbone interact. energy: 0.047
local terms energy: -552.331872
where:
bonds (distance) C4'-P energy: -119.411
bonds (distance) P-C4' energy: -119.331
flat angles C4'-P-C4' energy: -128.121
flat angles P-C4'-P energy: -75.411
tors. eta vs tors. theta energy: -110.059
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: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1325.394598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.394598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.394598 (E_RNA)
where:
Base-Base interactions energy: -776.471
where: short stacking energy: -385.912
Base-Backbone interact. energy: -2.388
local terms energy: -546.534905
where:
bonds (distance) C4'-P energy: -119.339
bonds (distance) P-C4' energy: -140.597
flat angles C4'-P-C4' energy: -124.910
flat angles P-C4'-P energy: -94.567
tors. eta vs tors. theta energy: -67.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1078.410366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.410366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.410366 (E_RNA)
where:
Base-Base interactions energy: -678.188
where: short stacking energy: -357.190
Base-Backbone interact. energy: 2.264
local terms energy: -402.486874
where:
bonds (distance) C4'-P energy: -89.859
bonds (distance) P-C4' energy: -102.492
flat angles C4'-P-C4' energy: -88.814
flat angles P-C4'-P energy: -56.486
tors. eta vs tors. theta energy: -64.835
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: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -607.770417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.770417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.770417 (E_RNA)
where:
Base-Base interactions energy: -225.721
where: short stacking energy: -168.692
Base-Backbone interact. energy: -0.804
local terms energy: -381.246219
where:
bonds (distance) C4'-P energy: -114.553
bonds (distance) P-C4' energy: -117.147
flat angles C4'-P-C4' energy: -95.106
flat angles P-C4'-P energy: -66.339
tors. eta vs tors. theta energy: 11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2368.458114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.458114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.458114 (E_RNA)
where:
Base-Base interactions energy: -1631.000
where: short stacking energy: -701.432
Base-Backbone interact. energy: -0.703
local terms energy: -736.755307
where:
bonds (distance) C4'-P energy: -140.595
bonds (distance) P-C4' energy: -140.110
flat angles C4'-P-C4' energy: -167.095
flat angles P-C4'-P energy: -113.996
tors. eta vs tors. theta energy: -174.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2258.259852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.259852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.259852 (E_RNA)
where:
Base-Base interactions energy: -1514.788
where: short stacking energy: -690.215
Base-Backbone interact. energy: -2.347
local terms energy: -741.125093
where:
bonds (distance) C4'-P energy: -129.669
bonds (distance) P-C4' energy: -125.668
flat angles C4'-P-C4' energy: -162.228
flat angles P-C4'-P energy: -118.710
tors. eta vs tors. theta energy: -204.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2198.005497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.005497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.005497 (E_RNA)
where:
Base-Base interactions energy: -1510.880
where: short stacking energy: -645.929
Base-Backbone interact. energy: 0.131
local terms energy: -687.256485
where:
bonds (distance) C4'-P energy: -126.894
bonds (distance) P-C4' energy: -126.206
flat angles C4'-P-C4' energy: -153.797
flat angles P-C4'-P energy: -104.299
tors. eta vs tors. theta energy: -176.059
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: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2054.241992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.241992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.241992 (E_RNA)
where:
Base-Base interactions energy: -1399.136
where: short stacking energy: -636.243
Base-Backbone interact. energy: -1.601
local terms energy: -653.504982
where:
bonds (distance) C4'-P energy: -120.319
bonds (distance) P-C4' energy: -120.839
flat angles C4'-P-C4' energy: -148.337
flat angles P-C4'-P energy: -84.364
tors. eta vs tors. theta energy: -179.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1901.265845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.265845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.265845 (E_RNA)
where:
Base-Base interactions energy: -1245.279
where: short stacking energy: -545.538
Base-Backbone interact. energy: 2.479
local terms energy: -658.466308
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -141.566
flat angles C4'-P-C4' energy: -152.390
flat angles P-C4'-P energy: -86.678
tors. eta vs tors. theta energy: -156.705
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: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1899.121988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.121988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.121988 (E_RNA)
where:
Base-Base interactions energy: -1271.868
where: short stacking energy: -574.623
Base-Backbone interact. energy: -4.725
local terms energy: -622.529763
where:
bonds (distance) C4'-P energy: -123.072
bonds (distance) P-C4' energy: -108.120
flat angles C4'-P-C4' energy: -137.324
flat angles P-C4'-P energy: -97.388
tors. eta vs tors. theta energy: -156.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1574.447051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.447051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.447051 (E_RNA)
where:
Base-Base interactions energy: -1008.139
where: short stacking energy: -471.058
Base-Backbone interact. energy: -4.805
local terms energy: -561.502932
where:
bonds (distance) C4'-P energy: -127.214
bonds (distance) P-C4' energy: -122.793
flat angles C4'-P-C4' energy: -133.304
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -116.473
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: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1403.307129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.307129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.307129 (E_RNA)
where:
Base-Base interactions energy: -868.386
where: short stacking energy: -425.936
Base-Backbone interact. energy: 0.075
local terms energy: -534.995897
where:
bonds (distance) C4'-P energy: -111.598
bonds (distance) P-C4' energy: -105.852
flat angles C4'-P-C4' energy: -140.730
flat angles P-C4'-P energy: -83.339
tors. eta vs tors. theta energy: -93.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1028.224205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.224205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.224205 (E_RNA)
where:
Base-Base interactions energy: -592.209
where: short stacking energy: -283.652
Base-Backbone interact. energy: -0.215
local terms energy: -435.800178
where:
bonds (distance) C4'-P energy: -112.543
bonds (distance) P-C4' energy: -123.938
flat angles C4'-P-C4' energy: -99.702
flat angles P-C4'-P energy: -75.475
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -638.211935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.211935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.211935 (E_RNA)
where:
Base-Base interactions energy: -280.020
where: short stacking energy: -175.351
Base-Backbone interact. energy: 2.126
local terms energy: -360.318008
where:
bonds (distance) C4'-P energy: -109.105
bonds (distance) P-C4' energy: -135.267
flat angles C4'-P-C4' energy: -96.784
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: 22.913
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: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2394.442809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.442809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.442809 (E_RNA)
where:
Base-Base interactions energy: -1630.172
where: short stacking energy: -700.392
Base-Backbone interact. energy: 1.479
local terms energy: -765.749767
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -143.130
flat angles C4'-P-C4' energy: -169.782
flat angles P-C4'-P energy: -121.025
tors. eta vs tors. theta energy: -191.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2256.707417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.707417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.707417 (E_RNA)
where:
Base-Base interactions energy: -1504.775
where: short stacking energy: -679.425
Base-Backbone interact. energy: -5.550
local terms energy: -746.381923
where:
bonds (distance) C4'-P energy: -141.173
bonds (distance) P-C4' energy: -140.833
flat angles C4'-P-C4' energy: -152.407
flat angles P-C4'-P energy: -112.408
tors. eta vs tors. theta energy: -199.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2174.403514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.403514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.403514 (E_RNA)
where:
Base-Base interactions energy: -1515.556
where: short stacking energy: -663.805
Base-Backbone interact. energy: -2.761
local terms energy: -656.086373
where:
bonds (distance) C4'-P energy: -122.841
bonds (distance) P-C4' energy: -132.229
flat angles C4'-P-C4' energy: -145.950
flat angles P-C4'-P energy: -80.089
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: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2023.675431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.675431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.675431 (E_RNA)
where:
Base-Base interactions energy: -1345.392
where: short stacking energy: -618.673
Base-Backbone interact. energy: -0.155
local terms energy: -678.127862
where:
bonds (distance) C4'-P energy: -120.550
bonds (distance) P-C4' energy: -144.649
flat angles C4'-P-C4' energy: -155.115
flat angles P-C4'-P energy: -94.175
tors. eta vs tors. theta energy: -163.638
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: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1905.644839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.644839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.644839 (E_RNA)
where:
Base-Base interactions energy: -1290.331
where: short stacking energy: -559.851
Base-Backbone interact. energy: 0.976
local terms energy: -616.289968
where:
bonds (distance) C4'-P energy: -101.006
bonds (distance) P-C4' energy: -127.084
flat angles C4'-P-C4' energy: -145.419
flat angles P-C4'-P energy: -96.770
tors. eta vs tors. theta energy: -146.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1862.445000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.445000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.445000 (E_RNA)
where:
Base-Base interactions energy: -1257.287
where: short stacking energy: -544.193
Base-Backbone interact. energy: 2.970
local terms energy: -608.128061
where:
bonds (distance) C4'-P energy: -117.930
bonds (distance) P-C4' energy: -111.873
flat angles C4'-P-C4' energy: -142.134
flat angles P-C4'-P energy: -75.951
tors. eta vs tors. theta energy: -160.240
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: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1624.824801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.824801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.824801 (E_RNA)
where:
Base-Base interactions energy: -1072.939
where: short stacking energy: -473.627
Base-Backbone interact. energy: 0.657
local terms energy: -552.542978
where:
bonds (distance) C4'-P energy: -118.124
bonds (distance) P-C4' energy: -116.998
flat angles C4'-P-C4' energy: -126.881
flat angles P-C4'-P energy: -83.069
tors. eta vs tors. theta energy: -107.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1384.907698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.907698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.907698 (E_RNA)
where:
Base-Base interactions energy: -879.106
where: short stacking energy: -410.509
Base-Backbone interact. energy: 3.844
local terms energy: -509.645198
where:
bonds (distance) C4'-P energy: -122.391
bonds (distance) P-C4' energy: -119.710
flat angles C4'-P-C4' energy: -110.597
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -75.785
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: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1058.299569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.299569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.299569 (E_RNA)
where:
Base-Base interactions energy: -606.918
where: short stacking energy: -288.774
Base-Backbone interact. energy: 0.493
local terms energy: -451.874294
where:
bonds (distance) C4'-P energy: -112.090
bonds (distance) P-C4' energy: -138.487
flat angles C4'-P-C4' energy: -115.582
flat angles P-C4'-P energy: -54.102
tors. eta vs tors. theta energy: -31.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -618.608598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.608598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.608598 (E_RNA)
where:
Base-Base interactions energy: -268.551
where: short stacking energy: -195.523
Base-Backbone interact. energy: 0.969
local terms energy: -351.026883
where:
bonds (distance) C4'-P energy: -87.867
bonds (distance) P-C4' energy: -98.680
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -56.618
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: 82
Temperature: 0.900000
Total energy: -2356.394559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.394559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.394559 (E_RNA)
where:
Base-Base interactions energy: -1619.009
where: short stacking energy: -672.256
Base-Backbone interact. energy: 1.822
local terms energy: -739.208160
where:
bonds (distance) C4'-P energy: -144.125
bonds (distance) P-C4' energy: -154.537
flat angles C4'-P-C4' energy: -163.174
flat angles P-C4'-P energy: -103.062
tors. eta vs tors. theta energy: -174.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2273.395704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.395704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.395704 (E_RNA)
where:
Base-Base interactions energy: -1546.594
where: short stacking energy: -671.245
Base-Backbone interact. energy: -1.224
local terms energy: -725.577561
where:
bonds (distance) C4'-P energy: -133.200
bonds (distance) P-C4' energy: -126.026
flat angles C4'-P-C4' energy: -156.345
flat angles P-C4'-P energy: -100.906
tors. eta vs tors. theta energy: -209.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2214.095852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.095852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.095852 (E_RNA)
where:
Base-Base interactions energy: -1484.571
where: short stacking energy: -652.600
Base-Backbone interact. energy: 0.082
local terms energy: -729.607761
where:
bonds (distance) C4'-P energy: -137.451
bonds (distance) P-C4' energy: -146.960
flat angles C4'-P-C4' energy: -154.193
flat angles P-C4'-P energy: -101.365
tors. eta vs tors. theta energy: -189.639
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: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2012.771826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.771826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.771826 (E_RNA)
where:
Base-Base interactions energy: -1332.353
where: short stacking energy: -598.223
Base-Backbone interact. energy: -4.562
local terms energy: -675.857030
where:
bonds (distance) C4'-P energy: -128.932
bonds (distance) P-C4' energy: -140.812
flat angles C4'-P-C4' energy: -140.851
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -168.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1946.353678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.353678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.353678 (E_RNA)
where:
Base-Base interactions energy: -1287.902
where: short stacking energy: -581.686
Base-Backbone interact. energy: 0.788
local terms energy: -659.239442
where:
bonds (distance) C4'-P energy: -113.070
bonds (distance) P-C4' energy: -117.335
flat angles C4'-P-C4' energy: -152.309
flat angles P-C4'-P energy: -109.672
tors. eta vs tors. theta energy: -166.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1874.689161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.689161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.689161 (E_RNA)
where:
Base-Base interactions energy: -1244.116
where: short stacking energy: -550.991
Base-Backbone interact. energy: 0.897
local terms energy: -631.470754
where:
bonds (distance) C4'-P energy: -136.591
bonds (distance) P-C4' energy: -121.910
flat angles C4'-P-C4' energy: -142.322
flat angles P-C4'-P energy: -86.225
tors. eta vs tors. theta energy: -144.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1606.105554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.105554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.105554 (E_RNA)
where:
Base-Base interactions energy: -1028.592
where: short stacking energy: -475.712
Base-Backbone interact. energy: -1.238
local terms energy: -576.275165
where:
bonds (distance) C4'-P energy: -135.954
bonds (distance) P-C4' energy: -124.724
flat angles C4'-P-C4' energy: -123.330
flat angles P-C4'-P energy: -80.039
tors. eta vs tors. theta energy: -112.228
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: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1354.203452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.203452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.203452 (E_RNA)
where:
Base-Base interactions energy: -809.745
where: short stacking energy: -378.767
Base-Backbone interact. energy: -0.795
local terms energy: -543.663928
where:
bonds (distance) C4'-P energy: -117.719
bonds (distance) P-C4' energy: -127.359
flat angles C4'-P-C4' energy: -133.820
flat angles P-C4'-P energy: -87.981
tors. eta vs tors. theta energy: -76.784
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: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1073.729550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.729550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.729550 (E_RNA)
where:
Base-Base interactions energy: -652.891
where: short stacking energy: -300.671
Base-Backbone interact. energy: 12.556
local terms energy: -433.394434
where:
bonds (distance) C4'-P energy: -118.776
bonds (distance) P-C4' energy: -115.823
flat angles C4'-P-C4' energy: -104.774
flat angles P-C4'-P energy: -69.624
tors. eta vs tors. theta energy: -24.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -620.176139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.176139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.176139 (E_RNA)
where:
Base-Base interactions energy: -256.405
where: short stacking energy: -159.007
Base-Backbone interact. energy: 5.355
local terms energy: -369.125990
where:
bonds (distance) C4'-P energy: -122.655
bonds (distance) P-C4' energy: -117.386
flat angles C4'-P-C4' energy: -97.395
flat angles P-C4'-P energy: -60.756
tors. eta vs tors. theta energy: 29.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2347.039842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.039842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.039842 (E_RNA)
where:
Base-Base interactions energy: -1637.078
where: short stacking energy: -701.198
Base-Backbone interact. energy: -4.382
local terms energy: -705.579651
where:
bonds (distance) C4'-P energy: -142.373
bonds (distance) P-C4' energy: -142.965
flat angles C4'-P-C4' energy: -150.679
flat angles P-C4'-P energy: -88.795
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: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2257.743687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.743687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.743687 (E_RNA)
where:
Base-Base interactions energy: -1537.477
where: short stacking energy: -665.894
Base-Backbone interact. energy: -5.663
local terms energy: -714.603337
where:
bonds (distance) C4'-P energy: -140.085
bonds (distance) P-C4' energy: -137.999
flat angles C4'-P-C4' energy: -160.181
flat angles P-C4'-P energy: -103.399
tors. eta vs tors. theta energy: -172.939
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: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2228.713130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.713130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.713130 (E_RNA)
where:
Base-Base interactions energy: -1507.187
where: short stacking energy: -642.159
Base-Backbone interact. energy: -2.142
local terms energy: -719.384136
where:
bonds (distance) C4'-P energy: -132.778
bonds (distance) P-C4' energy: -140.222
flat angles C4'-P-C4' energy: -151.989
flat angles P-C4'-P energy: -94.478
tors. eta vs tors. theta energy: -199.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2006.877181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.877181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.877181 (E_RNA)
where:
Base-Base interactions energy: -1333.503
where: short stacking energy: -604.461
Base-Backbone interact. energy: -2.791
local terms energy: -670.582414
where:
bonds (distance) C4'-P energy: -128.817
bonds (distance) P-C4' energy: -138.441
flat angles C4'-P-C4' energy: -158.339
flat angles P-C4'-P energy: -75.294
tors. eta vs tors. theta energy: -169.690
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1922.963064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.963064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.963064 (E_RNA)
where:
Base-Base interactions energy: -1289.723
where: short stacking energy: -590.486
Base-Backbone interact. energy: 3.237
local terms energy: -636.477438
where:
bonds (distance) C4'-P energy: -132.411
bonds (distance) P-C4' energy: -135.335
flat angles C4'-P-C4' energy: -135.416
flat angles P-C4'-P energy: -79.391
tors. eta vs tors. theta energy: -153.925
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: 83
Temperature: 1.150000
Total energy: -1878.846610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.846610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.846610 (E_RNA)
where:
Base-Base interactions energy: -1269.600
where: short stacking energy: -563.534
Base-Backbone interact. energy: 6.090
local terms energy: -615.336610
where:
bonds (distance) C4'-P energy: -120.448
bonds (distance) P-C4' energy: -132.404
flat angles C4'-P-C4' energy: -143.423
flat angles P-C4'-P energy: -70.821
tors. eta vs tors. theta energy: -148.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1626.291847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.291847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.291847 (E_RNA)
where:
Base-Base interactions energy: -1046.050
where: short stacking energy: -481.811
Base-Backbone interact. energy: 2.652
local terms energy: -582.893875
where:
bonds (distance) C4'-P energy: -128.022
bonds (distance) P-C4' energy: -116.905
flat angles C4'-P-C4' energy: -148.100
flat angles P-C4'-P energy: -61.513
tors. eta vs tors. theta energy: -128.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1364.758208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.758208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.758208 (E_RNA)
where:
Base-Base interactions energy: -871.739
where: short stacking energy: -388.573
Base-Backbone interact. energy: -1.885
local terms energy: -491.133665
where:
bonds (distance) C4'-P energy: -111.207
bonds (distance) P-C4' energy: -134.525
flat angles C4'-P-C4' energy: -108.118
flat angles P-C4'-P energy: -66.908
tors. eta vs tors. theta energy: -70.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1173.283098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.283098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.283098 (E_RNA)
where:
Base-Base interactions energy: -720.763
where: short stacking energy: -332.662
Base-Backbone interact. energy: -0.213
local terms energy: -452.307300
where:
bonds (distance) C4'-P energy: -103.166
bonds (distance) P-C4' energy: -137.926
flat angles C4'-P-C4' energy: -121.731
flat angles P-C4'-P energy: -55.004
tors. eta vs tors. theta energy: -34.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -693.835891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.835891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.835891 (E_RNA)
where:
Base-Base interactions energy: -342.297
where: short stacking energy: -221.414
Base-Backbone interact. energy: 0.321
local terms energy: -351.860261
where:
bonds (distance) C4'-P energy: -97.422
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -100.077
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -4.498
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: 84
Temperature: 0.900000
Total energy: -2390.161011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.161011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.161011 (E_RNA)
where:
Base-Base interactions energy: -1614.391
where: short stacking energy: -706.592
Base-Backbone interact. energy: -5.644
local terms energy: -770.126139
where:
bonds (distance) C4'-P energy: -154.222
bonds (distance) P-C4' energy: -157.079
flat angles C4'-P-C4' energy: -158.594
flat angles P-C4'-P energy: -104.625
tors. eta vs tors. theta energy: -195.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2304.049831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.049831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.049831 (E_RNA)
where:
Base-Base interactions energy: -1583.505
where: short stacking energy: -663.611
Base-Backbone interact. energy: -7.433
local terms energy: -713.111637
where:
bonds (distance) C4'-P energy: -116.519
bonds (distance) P-C4' energy: -150.697
flat angles C4'-P-C4' energy: -153.076
flat angles P-C4'-P energy: -104.487
tors. eta vs tors. theta energy: -188.331
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: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2242.514584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.514584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.514584 (E_RNA)
where:
Base-Base interactions energy: -1509.757
where: short stacking energy: -655.554
Base-Backbone interact. energy: -7.165
local terms energy: -725.592309
where:
bonds (distance) C4'-P energy: -125.995
bonds (distance) P-C4' energy: -133.382
flat angles C4'-P-C4' energy: -158.716
flat angles P-C4'-P energy: -104.004
tors. eta vs tors. theta energy: -203.496
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: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1968.403890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.403890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.403890 (E_RNA)
where:
Base-Base interactions energy: -1329.530
where: short stacking energy: -584.896
Base-Backbone interact. energy: -3.076
local terms energy: -635.798592
where:
bonds (distance) C4'-P energy: -129.896
bonds (distance) P-C4' energy: -141.355
flat angles C4'-P-C4' energy: -138.925
flat angles P-C4'-P energy: -81.405
tors. eta vs tors. theta energy: -144.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1995.055630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.055630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.055630 (E_RNA)
where:
Base-Base interactions energy: -1364.895
where: short stacking energy: -587.657
Base-Backbone interact. energy: -2.762
local terms energy: -627.398751
where:
bonds (distance) C4'-P energy: -109.090
bonds (distance) P-C4' energy: -110.972
flat angles C4'-P-C4' energy: -132.841
flat angles P-C4'-P energy: -91.716
tors. eta vs tors. theta energy: -182.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1811.577219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.577219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.577219 (E_RNA)
where:
Base-Base interactions energy: -1220.138
where: short stacking energy: -520.335
Base-Backbone interact. energy: -0.199
local terms energy: -591.239906
where:
bonds (distance) C4'-P energy: -134.649
bonds (distance) P-C4' energy: -118.971
flat angles C4'-P-C4' energy: -124.429
flat angles P-C4'-P energy: -80.738
tors. eta vs tors. theta energy: -132.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1592.664791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.664791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.664791 (E_RNA)
where:
Base-Base interactions energy: -1044.889
where: short stacking energy: -454.744
Base-Backbone interact. energy: -4.402
local terms energy: -543.374482
where:
bonds (distance) C4'-P energy: -122.255
bonds (distance) P-C4' energy: -122.648
flat angles C4'-P-C4' energy: -132.025
flat angles P-C4'-P energy: -68.235
tors. eta vs tors. theta energy: -98.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1438.454829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.454829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.454829 (E_RNA)
where:
Base-Base interactions energy: -903.681
where: short stacking energy: -416.020
Base-Backbone interact. energy: 1.277
local terms energy: -536.050765
where:
bonds (distance) C4'-P energy: -125.566
bonds (distance) P-C4' energy: -131.714
flat angles C4'-P-C4' energy: -112.924
flat angles P-C4'-P energy: -71.237
tors. eta vs tors. theta energy: -94.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1050.148034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.148034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.148034 (E_RNA)
where:
Base-Base interactions energy: -614.526
where: short stacking energy: -323.237
Base-Backbone interact. energy: -2.692
local terms energy: -432.930533
where:
bonds (distance) C4'-P energy: -91.715
bonds (distance) P-C4' energy: -119.351
flat angles C4'-P-C4' energy: -124.333
flat angles P-C4'-P energy: -74.517
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -652.266369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.266369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.266369 (E_RNA)
where:
Base-Base interactions energy: -270.745
where: short stacking energy: -181.462
Base-Backbone interact. energy: 0.491
local terms energy: -382.012813
where:
bonds (distance) C4'-P energy: -122.269
bonds (distance) P-C4' energy: -120.720
flat angles C4'-P-C4' energy: -97.358
flat angles P-C4'-P energy: -53.829
tors. eta vs tors. theta energy: 12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2406.347341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.347341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.347341 (E_RNA)
where:
Base-Base interactions energy: -1644.345
where: short stacking energy: -689.735
Base-Backbone interact. energy: -2.071
local terms energy: -759.931730
where:
bonds (distance) C4'-P energy: -156.130
bonds (distance) P-C4' energy: -139.958
flat angles C4'-P-C4' energy: -165.742
flat angles P-C4'-P energy: -99.872
tors. eta vs tors. theta energy: -198.229
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: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2317.466677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.466677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.466677 (E_RNA)
where:
Base-Base interactions energy: -1596.028
where: short stacking energy: -680.265
Base-Backbone interact. energy: -2.947
local terms energy: -718.492177
where:
bonds (distance) C4'-P energy: -135.559
bonds (distance) P-C4' energy: -140.369
flat angles C4'-P-C4' energy: -154.296
flat angles P-C4'-P energy: -101.991
tors. eta vs tors. theta energy: -186.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2215.395365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.395365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.395365 (E_RNA)
where:
Base-Base interactions energy: -1491.207
where: short stacking energy: -677.554
Base-Backbone interact. energy: -0.955
local terms energy: -723.232903
where:
bonds (distance) C4'-P energy: -137.469
bonds (distance) P-C4' energy: -124.871
flat angles C4'-P-C4' energy: -162.047
flat angles P-C4'-P energy: -102.175
tors. eta vs tors. theta energy: -196.671
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: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2116.596614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.596614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.596614 (E_RNA)
where:
Base-Base interactions energy: -1438.301
where: short stacking energy: -628.317
Base-Backbone interact. energy: -3.920
local terms energy: -674.376397
where:
bonds (distance) C4'-P energy: -130.901
bonds (distance) P-C4' energy: -132.093
flat angles C4'-P-C4' energy: -137.551
flat angles P-C4'-P energy: -104.138
tors. eta vs tors. theta energy: -169.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1891.428977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.428977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.428977 (E_RNA)
where:
Base-Base interactions energy: -1253.716
where: short stacking energy: -568.086
Base-Backbone interact. energy: 0.094
local terms energy: -637.806898
where:
bonds (distance) C4'-P energy: -124.988
bonds (distance) P-C4' energy: -128.961
flat angles C4'-P-C4' energy: -128.770
flat angles P-C4'-P energy: -97.937
tors. eta vs tors. theta energy: -157.151
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: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1756.556094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.556094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.556094 (E_RNA)
where:
Base-Base interactions energy: -1157.537
where: short stacking energy: -524.235
Base-Backbone interact. energy: -2.239
local terms energy: -596.780461
where:
bonds (distance) C4'-P energy: -123.808
bonds (distance) P-C4' energy: -132.562
flat angles C4'-P-C4' energy: -133.016
flat angles P-C4'-P energy: -74.882
tors. eta vs tors. theta energy: -132.512
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: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1546.810033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.810033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.810033 (E_RNA)
where:
Base-Base interactions energy: -999.875
where: short stacking energy: -428.322
Base-Backbone interact. energy: -1.378
local terms energy: -545.556956
where:
bonds (distance) C4'-P energy: -130.416
bonds (distance) P-C4' energy: -116.101
flat angles C4'-P-C4' energy: -136.933
flat angles P-C4'-P energy: -76.563
tors. eta vs tors. theta energy: -85.545
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: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1404.648311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.648311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.648311 (E_RNA)
where:
Base-Base interactions energy: -892.906
where: short stacking energy: -436.374
Base-Backbone interact. energy: 2.370
local terms energy: -514.112495
where:
bonds (distance) C4'-P energy: -132.643
bonds (distance) P-C4' energy: -117.704
flat angles C4'-P-C4' energy: -105.350
flat angles P-C4'-P energy: -75.154
tors. eta vs tors. theta energy: -83.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1114.353063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.353063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.353063 (E_RNA)
where:
Base-Base interactions energy: -630.724
where: short stacking energy: -311.439
Base-Backbone interact. energy: -3.904
local terms energy: -479.724969
where:
bonds (distance) C4'-P energy: -132.195
bonds (distance) P-C4' energy: -126.545
flat angles C4'-P-C4' energy: -110.486
flat angles P-C4'-P energy: -68.741
tors. eta vs tors. theta energy: -41.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -566.131042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.131042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.131042 (E_RNA)
where:
Base-Base interactions energy: -221.657
where: short stacking energy: -174.225
Base-Backbone interact. energy: -2.432
local terms energy: -342.042422
where:
bonds (distance) C4'-P energy: -108.634
bonds (distance) P-C4' energy: -125.992
flat angles C4'-P-C4' energy: -81.352
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: 13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2394.645532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.645532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.645532 (E_RNA)
where:
Base-Base interactions energy: -1666.905
where: short stacking energy: -695.429
Base-Backbone interact. energy: -2.182
local terms energy: -725.558603
where:
bonds (distance) C4'-P energy: -149.685
bonds (distance) P-C4' energy: -135.153
flat angles C4'-P-C4' energy: -151.316
flat angles P-C4'-P energy: -95.040
tors. eta vs tors. theta energy: -194.365
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2278.901687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.901687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.901687 (E_RNA)
where:
Base-Base interactions energy: -1546.607
where: short stacking energy: -683.488
Base-Backbone interact. energy: -2.608
local terms energy: -729.687460
where:
bonds (distance) C4'-P energy: -120.108
bonds (distance) P-C4' energy: -149.420
flat angles C4'-P-C4' energy: -157.673
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -201.325
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: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2181.142327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.142327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.142327 (E_RNA)
where:
Base-Base interactions energy: -1483.430
where: short stacking energy: -667.392
Base-Backbone interact. energy: -3.293
local terms energy: -694.418405
where:
bonds (distance) C4'-P energy: -135.207
bonds (distance) P-C4' energy: -124.550
flat angles C4'-P-C4' energy: -154.916
flat angles P-C4'-P energy: -94.723
tors. eta vs tors. theta energy: -185.022
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2133.138551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.138551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.138551 (E_RNA)
where:
Base-Base interactions energy: -1451.888
where: short stacking energy: -615.545
Base-Backbone interact. energy: 0.011
local terms energy: -681.261223
where:
bonds (distance) C4'-P energy: -112.994
bonds (distance) P-C4' energy: -140.539
flat angles C4'-P-C4' energy: -147.478
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -178.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1849.630852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.630852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.630852 (E_RNA)
where:
Base-Base interactions energy: -1225.556
where: short stacking energy: -535.043
Base-Backbone interact. energy: -1.384
local terms energy: -622.690996
where:
bonds (distance) C4'-P energy: -116.243
bonds (distance) P-C4' energy: -140.352
flat angles C4'-P-C4' energy: -140.822
flat angles P-C4'-P energy: -82.710
tors. eta vs tors. theta energy: -142.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1803.134331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.134331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.134331 (E_RNA)
where:
Base-Base interactions energy: -1211.894
where: short stacking energy: -543.884
Base-Backbone interact. energy: -5.339
local terms energy: -585.902039
where:
bonds (distance) C4'-P energy: -106.302
bonds (distance) P-C4' energy: -122.781
flat angles C4'-P-C4' energy: -123.157
flat angles P-C4'-P energy: -85.952
tors. eta vs tors. theta energy: -147.710
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: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1597.645299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.645299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.645299 (E_RNA)
where:
Base-Base interactions energy: -1033.654
where: short stacking energy: -466.754
Base-Backbone interact. energy: 5.983
local terms energy: -569.974753
where:
bonds (distance) C4'-P energy: -127.188
bonds (distance) P-C4' energy: -140.637
flat angles C4'-P-C4' energy: -117.373
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -106.584
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: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1375.784174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.784174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.784174 (E_RNA)
where:
Base-Base interactions energy: -875.233
where: short stacking energy: -391.926
Base-Backbone interact. energy: -0.786
local terms energy: -499.764746
where:
bonds (distance) C4'-P energy: -124.902
bonds (distance) P-C4' energy: -106.907
flat angles C4'-P-C4' energy: -117.036
flat angles P-C4'-P energy: -76.889
tors. eta vs tors. theta energy: -74.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1086.649822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.649822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.649822 (E_RNA)
where:
Base-Base interactions energy: -642.756
where: short stacking energy: -312.152
Base-Backbone interact. energy: 1.432
local terms energy: -445.325520
where:
bonds (distance) C4'-P energy: -128.007
bonds (distance) P-C4' energy: -122.784
flat angles C4'-P-C4' energy: -93.285
flat angles P-C4'-P energy: -68.089
tors. eta vs tors. theta energy: -33.161
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -620.395501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.395501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.395501 (E_RNA)
where:
Base-Base interactions energy: -294.023
where: short stacking energy: -211.738
Base-Backbone interact. energy: 4.785
local terms energy: -331.157954
where:
bonds (distance) C4'-P energy: -120.473
bonds (distance) P-C4' energy: -110.143
flat angles C4'-P-C4' energy: -74.322
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: 13.836
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2377.483848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.483848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.483848 (E_RNA)
where:
Base-Base interactions energy: -1665.850
where: short stacking energy: -692.055
Base-Backbone interact. energy: -4.806
local terms energy: -706.827588
where:
bonds (distance) C4'-P energy: -120.264
bonds (distance) P-C4' energy: -145.438
flat angles C4'-P-C4' energy: -151.469
flat angles P-C4'-P energy: -103.928
tors. eta vs tors. theta energy: -185.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2286.630477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.630477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.630477 (E_RNA)
where:
Base-Base interactions energy: -1574.944
where: short stacking energy: -684.690
Base-Backbone interact. energy: -4.220
local terms energy: -707.466201
where:
bonds (distance) C4'-P energy: -138.445
bonds (distance) P-C4' energy: -132.014
flat angles C4'-P-C4' energy: -156.756
flat angles P-C4'-P energy: -93.057
tors. eta vs tors. theta energy: -187.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2228.153813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.153813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.153813 (E_RNA)
where:
Base-Base interactions energy: -1514.424
where: short stacking energy: -672.592
Base-Backbone interact. energy: -1.743
local terms energy: -711.986425
where:
bonds (distance) C4'-P energy: -127.053
bonds (distance) P-C4' energy: -129.613
flat angles C4'-P-C4' energy: -148.837
flat angles P-C4'-P energy: -106.790
tors. eta vs tors. theta energy: -199.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2157.247582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.247582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.247582 (E_RNA)
where:
Base-Base interactions energy: -1499.437
where: short stacking energy: -650.885
Base-Backbone interact. energy: -5.090
local terms energy: -652.720355
where:
bonds (distance) C4'-P energy: -119.377
bonds (distance) P-C4' energy: -127.644
flat angles C4'-P-C4' energy: -143.430
flat angles P-C4'-P energy: -86.177
tors. eta vs tors. theta energy: -176.091
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: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1854.701460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.701460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.701460 (E_RNA)
where:
Base-Base interactions energy: -1228.824
where: short stacking energy: -549.338
Base-Backbone interact. energy: 1.702
local terms energy: -627.578733
where:
bonds (distance) C4'-P energy: -129.697
bonds (distance) P-C4' energy: -138.070
flat angles C4'-P-C4' energy: -148.072
flat angles P-C4'-P energy: -78.468
tors. eta vs tors. theta energy: -133.271
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1704.545569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.545569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.545569 (E_RNA)
where:
Base-Base interactions energy: -1132.409
where: short stacking energy: -508.898
Base-Backbone interact. energy: -3.495
local terms energy: -568.642307
where:
bonds (distance) C4'-P energy: -114.566
bonds (distance) P-C4' energy: -114.909
flat angles C4'-P-C4' energy: -135.074
flat angles P-C4'-P energy: -77.539
tors. eta vs tors. theta energy: -126.554
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: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1584.978951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.978951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.978951 (E_RNA)
where:
Base-Base interactions energy: -1055.481
where: short stacking energy: -471.929
Base-Backbone interact. energy: -1.678
local terms energy: -527.819918
where:
bonds (distance) C4'-P energy: -105.077
bonds (distance) P-C4' energy: -103.051
flat angles C4'-P-C4' energy: -121.188
flat angles P-C4'-P energy: -87.567
tors. eta vs tors. theta energy: -110.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1389.591453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.591453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.591453 (E_RNA)
where:
Base-Base interactions energy: -867.287
where: short stacking energy: -411.957
Base-Backbone interact. energy: 1.662
local terms energy: -523.966093
where:
bonds (distance) C4'-P energy: -125.470
bonds (distance) P-C4' energy: -123.716
flat angles C4'-P-C4' energy: -105.995
flat angles P-C4'-P energy: -88.078
tors. eta vs tors. theta energy: -80.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -991.712870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.712870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.712870 (E_RNA)
where:
Base-Base interactions energy: -578.488
where: short stacking energy: -272.558
Base-Backbone interact. energy: 2.547
local terms energy: -415.772011
where:
bonds (distance) C4'-P energy: -124.766
bonds (distance) P-C4' energy: -109.126
flat angles C4'-P-C4' energy: -92.663
flat angles P-C4'-P energy: -61.523
tors. eta vs tors. theta energy: -27.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -599.171957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.171957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.171957 (E_RNA)
where:
Base-Base interactions energy: -255.006
where: short stacking energy: -175.624
Base-Backbone interact. energy: -1.395
local terms energy: -342.771218
where:
bonds (distance) C4'-P energy: -97.234
bonds (distance) P-C4' energy: -130.583
flat angles C4'-P-C4' energy: -98.245
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: 23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2368.698246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.698246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.698246 (E_RNA)
where:
Base-Base interactions energy: -1624.065
where: short stacking energy: -674.406
Base-Backbone interact. energy: -6.857
local terms energy: -737.776358
where:
bonds (distance) C4'-P energy: -147.899
bonds (distance) P-C4' energy: -134.324
flat angles C4'-P-C4' energy: -159.108
flat angles P-C4'-P energy: -99.816
tors. eta vs tors. theta energy: -196.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2284.782944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.782944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.782944 (E_RNA)
where:
Base-Base interactions energy: -1558.207
where: short stacking energy: -675.843
Base-Backbone interact. energy: -3.028
local terms energy: -723.547427
where:
bonds (distance) C4'-P energy: -143.828
bonds (distance) P-C4' energy: -151.520
flat angles C4'-P-C4' energy: -142.695
flat angles P-C4'-P energy: -95.948
tors. eta vs tors. theta energy: -189.556
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: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2218.811900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.811900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.811900 (E_RNA)
where:
Base-Base interactions energy: -1504.167
where: short stacking energy: -685.769
Base-Backbone interact. energy: 5.054
local terms energy: -719.699528
where:
bonds (distance) C4'-P energy: -138.394
bonds (distance) P-C4' energy: -138.295
flat angles C4'-P-C4' energy: -159.130
flat angles P-C4'-P energy: -86.415
tors. eta vs tors. theta energy: -197.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2132.567297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.567297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.567297 (E_RNA)
where:
Base-Base interactions energy: -1431.856
where: short stacking energy: -619.060
Base-Backbone interact. energy: -3.037
local terms energy: -697.674563
where:
bonds (distance) C4'-P energy: -126.697
bonds (distance) P-C4' energy: -139.825
flat angles C4'-P-C4' energy: -138.480
flat angles P-C4'-P energy: -102.903
tors. eta vs tors. theta energy: -189.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1833.038954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.038954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.038954 (E_RNA)
where:
Base-Base interactions energy: -1238.954
where: short stacking energy: -555.588
Base-Backbone interact. energy: -2.510
local terms energy: -591.574906
where:
bonds (distance) C4'-P energy: -115.930
bonds (distance) P-C4' energy: -121.678
flat angles C4'-P-C4' energy: -129.750
flat angles P-C4'-P energy: -79.675
tors. eta vs tors. theta energy: -144.542
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: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1675.321277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.321277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.321277 (E_RNA)
where:
Base-Base interactions energy: -1079.043
where: short stacking energy: -500.901
Base-Backbone interact. energy: -0.062
local terms energy: -596.215682
where:
bonds (distance) C4'-P energy: -120.342
bonds (distance) P-C4' energy: -130.925
flat angles C4'-P-C4' energy: -126.253
flat angles P-C4'-P energy: -90.337
tors. eta vs tors. theta energy: -128.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1655.182951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.182951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.182951 (E_RNA)
where:
Base-Base interactions energy: -1102.084
where: short stacking energy: -467.306
Base-Backbone interact. energy: 2.718
local terms energy: -555.817177
where:
bonds (distance) C4'-P energy: -124.456
bonds (distance) P-C4' energy: -121.592
flat angles C4'-P-C4' energy: -121.268
flat angles P-C4'-P energy: -86.676
tors. eta vs tors. theta energy: -101.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1375.823011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.823011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.823011 (E_RNA)
where:
Base-Base interactions energy: -875.511
where: short stacking energy: -390.243
Base-Backbone interact. energy: -1.947
local terms energy: -498.364803
where:
bonds (distance) C4'-P energy: -112.053
bonds (distance) P-C4' energy: -115.967
flat angles C4'-P-C4' energy: -113.663
flat angles P-C4'-P energy: -70.846
tors. eta vs tors. theta energy: -85.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1060.808027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.808027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.808027 (E_RNA)
where:
Base-Base interactions energy: -590.068
where: short stacking energy: -300.527
Base-Backbone interact. energy: -0.939
local terms energy: -469.801304
where:
bonds (distance) C4'-P energy: -129.800
bonds (distance) P-C4' energy: -124.082
flat angles C4'-P-C4' energy: -114.423
flat angles P-C4'-P energy: -66.452
tors. eta vs tors. theta energy: -35.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -594.304891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.304891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.304891 (E_RNA)
where:
Base-Base interactions energy: -253.914
where: short stacking energy: -198.607
Base-Backbone interact. energy: 4.129
local terms energy: -344.519802
where:
bonds (distance) C4'-P energy: -105.629
bonds (distance) P-C4' energy: -122.467
flat angles C4'-P-C4' energy: -79.955
flat angles P-C4'-P energy: -59.907
tors. eta vs tors. theta energy: 23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2382.745280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.745280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.745280 (E_RNA)
where:
Base-Base interactions energy: -1640.706
where: short stacking energy: -698.954
Base-Backbone interact. energy: -0.140
local terms energy: -741.899077
where:
bonds (distance) C4'-P energy: -147.172
bonds (distance) P-C4' energy: -139.953
flat angles C4'-P-C4' energy: -152.056
flat angles P-C4'-P energy: -108.732
tors. eta vs tors. theta energy: -193.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2273.001804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.001804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.001804 (E_RNA)
where:
Base-Base interactions energy: -1563.682
where: short stacking energy: -662.177
Base-Backbone interact. energy: 0.558
local terms energy: -709.877749
where:
bonds (distance) C4'-P energy: -135.989
bonds (distance) P-C4' energy: -133.202
flat angles C4'-P-C4' energy: -157.909
flat angles P-C4'-P energy: -100.721
tors. eta vs tors. theta energy: -182.056
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: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2216.233429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.233429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.233429 (E_RNA)
where:
Base-Base interactions energy: -1509.173
where: short stacking energy: -674.866
Base-Backbone interact. energy: 0.243
local terms energy: -707.303180
where:
bonds (distance) C4'-P energy: -127.100
bonds (distance) P-C4' energy: -147.795
flat angles C4'-P-C4' energy: -153.096
flat angles P-C4'-P energy: -82.346
tors. eta vs tors. theta energy: -196.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2100.253503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.253503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.253503 (E_RNA)
where:
Base-Base interactions energy: -1423.042
where: short stacking energy: -609.814
Base-Backbone interact. energy: -2.156
local terms energy: -675.055783
where:
bonds (distance) C4'-P energy: -128.466
bonds (distance) P-C4' energy: -123.385
flat angles C4'-P-C4' energy: -152.444
flat angles P-C4'-P energy: -91.170
tors. eta vs tors. theta energy: -179.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1834.358300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.358300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.358300 (E_RNA)
where:
Base-Base interactions energy: -1200.227
where: short stacking energy: -566.372
Base-Backbone interact. energy: -4.953
local terms energy: -629.177562
where:
bonds (distance) C4'-P energy: -130.734
bonds (distance) P-C4' energy: -137.194
flat angles C4'-P-C4' energy: -129.928
flat angles P-C4'-P energy: -72.247
tors. eta vs tors. theta energy: -159.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1694.524073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.524073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.524073 (E_RNA)
where:
Base-Base interactions energy: -1130.976
where: short stacking energy: -502.827
Base-Backbone interact. energy: 1.883
local terms energy: -565.430204
where:
bonds (distance) C4'-P energy: -112.962
bonds (distance) P-C4' energy: -133.450
flat angles C4'-P-C4' energy: -144.433
flat angles P-C4'-P energy: -63.226
tors. eta vs tors. theta energy: -111.359
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: 89
Temperature: 1.200000
Total energy: -1578.865449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.865449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.865449 (E_RNA)
where:
Base-Base interactions energy: -1005.256
where: short stacking energy: -448.730
Base-Backbone interact. energy: -3.677
local terms energy: -569.932365
where:
bonds (distance) C4'-P energy: -137.608
bonds (distance) P-C4' energy: -106.321
flat angles C4'-P-C4' energy: -122.484
flat angles P-C4'-P energy: -88.395
tors. eta vs tors. theta energy: -115.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1413.465362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.465362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.465362 (E_RNA)
where:
Base-Base interactions energy: -897.265
where: short stacking energy: -417.752
Base-Backbone interact. energy: 6.331
local terms energy: -522.531424
where:
bonds (distance) C4'-P energy: -103.461
bonds (distance) P-C4' energy: -124.332
flat angles C4'-P-C4' energy: -139.193
flat angles P-C4'-P energy: -69.191
tors. eta vs tors. theta energy: -86.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1010.077328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.077328 (E_RNA)
where:
Base-Base interactions energy: -573.972
where: short stacking energy: -321.856
Base-Backbone interact. energy: 6.710
local terms energy: -442.814754
where:
bonds (distance) C4'-P energy: -111.043
bonds (distance) P-C4' energy: -116.133
flat angles C4'-P-C4' energy: -129.606
flat angles P-C4'-P energy: -56.733
tors. eta vs tors. theta energy: -29.299
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -609.888894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.888894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.888894 (E_RNA)
where:
Base-Base interactions energy: -246.665
where: short stacking energy: -150.673
Base-Backbone interact. energy: -0.063
local terms energy: -363.161353
where:
bonds (distance) C4'-P energy: -92.092
bonds (distance) P-C4' energy: -131.687
flat angles C4'-P-C4' energy: -94.595
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: 21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2339.928362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.928362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.928362 (E_RNA)
where:
Base-Base interactions energy: -1610.327
where: short stacking energy: -686.980
Base-Backbone interact. energy: -4.150
local terms energy: -725.451386
where:
bonds (distance) C4'-P energy: -141.088
bonds (distance) P-C4' energy: -142.394
flat angles C4'-P-C4' energy: -149.646
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -187.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2316.768519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.768519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.768519 (E_RNA)
where:
Base-Base interactions energy: -1620.030
where: short stacking energy: -679.930
Base-Backbone interact. energy: -3.843
local terms energy: -692.895607
where:
bonds (distance) C4'-P energy: -129.025
bonds (distance) P-C4' energy: -130.357
flat angles C4'-P-C4' energy: -148.151
flat angles P-C4'-P energy: -103.111
tors. eta vs tors. theta energy: -182.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2231.898879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.898879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.898879 (E_RNA)
where:
Base-Base interactions energy: -1524.845
where: short stacking energy: -665.080
Base-Backbone interact. energy: 0.275
local terms energy: -707.329148
where:
bonds (distance) C4'-P energy: -130.547
bonds (distance) P-C4' energy: -144.597
flat angles C4'-P-C4' energy: -142.401
flat angles P-C4'-P energy: -99.621
tors. eta vs tors. theta energy: -190.163
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: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2145.073475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.073475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.073475 (E_RNA)
where:
Base-Base interactions energy: -1477.229
where: short stacking energy: -655.958
Base-Backbone interact. energy: -3.906
local terms energy: -663.938675
where:
bonds (distance) C4'-P energy: -110.398
bonds (distance) P-C4' energy: -123.195
flat angles C4'-P-C4' energy: -147.138
flat angles P-C4'-P energy: -94.232
tors. eta vs tors. theta energy: -188.976
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: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1868.765903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.765903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.765903 (E_RNA)
where:
Base-Base interactions energy: -1213.274
where: short stacking energy: -576.802
Base-Backbone interact. energy: -5.759
local terms energy: -649.732818
where:
bonds (distance) C4'-P energy: -132.295
bonds (distance) P-C4' energy: -129.304
flat angles C4'-P-C4' energy: -148.121
flat angles P-C4'-P energy: -78.463
tors. eta vs tors. theta energy: -161.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1712.642284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.642284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.642284 (E_RNA)
where:
Base-Base interactions energy: -1111.395
where: short stacking energy: -495.347
Base-Backbone interact. energy: -4.014
local terms energy: -597.233634
where:
bonds (distance) C4'-P energy: -132.336
bonds (distance) P-C4' energy: -132.359
flat angles C4'-P-C4' energy: -132.101
flat angles P-C4'-P energy: -81.691
tors. eta vs tors. theta energy: -118.746
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: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1482.045980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.045980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.045980 (E_RNA)
where:
Base-Base interactions energy: -961.839
where: short stacking energy: -431.515
Base-Backbone interact. energy: -2.208
local terms energy: -517.999546
where:
bonds (distance) C4'-P energy: -105.819
bonds (distance) P-C4' energy: -117.250
flat angles C4'-P-C4' energy: -121.122
flat angles P-C4'-P energy: -92.789
tors. eta vs tors. theta energy: -81.019
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: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1414.330423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.330423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.330423 (E_RNA)
where:
Base-Base interactions energy: -872.942
where: short stacking energy: -427.094
Base-Backbone interact. energy: -1.161
local terms energy: -540.228234
where:
bonds (distance) C4'-P energy: -99.579
bonds (distance) P-C4' energy: -143.779
flat angles C4'-P-C4' energy: -124.665
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -95.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -932.328993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.328993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.328993 (E_RNA)
where:
Base-Base interactions energy: -521.998
where: short stacking energy: -298.508
Base-Backbone interact. energy: 5.234
local terms energy: -415.565340
where:
bonds (distance) C4'-P energy: -105.031
bonds (distance) P-C4' energy: -113.964
flat angles C4'-P-C4' energy: -105.725
flat angles P-C4'-P energy: -59.937
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -679.484582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.484582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.484582 (E_RNA)
where:
Base-Base interactions energy: -316.611
where: short stacking energy: -174.194
Base-Backbone interact. energy: -1.369
local terms energy: -361.504833
where:
bonds (distance) C4'-P energy: -118.042
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -92.212
flat angles P-C4'-P energy: -50.862
tors. eta vs tors. theta energy: 12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2327.922867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.922867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.922867 (E_RNA)
where:
Base-Base interactions energy: -1589.171
where: short stacking energy: -677.278
Base-Backbone interact. energy: -1.580
local terms energy: -737.172436
where:
bonds (distance) C4'-P energy: -138.428
bonds (distance) P-C4' energy: -138.658
flat angles C4'-P-C4' energy: -161.418
flat angles P-C4'-P energy: -110.646
tors. eta vs tors. theta energy: -188.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2277.248287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.248287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.248287 (E_RNA)
where:
Base-Base interactions energy: -1518.472
where: short stacking energy: -662.995
Base-Backbone interact. energy: -1.457
local terms energy: -757.319474
where:
bonds (distance) C4'-P energy: -144.906
bonds (distance) P-C4' energy: -132.961
flat angles C4'-P-C4' energy: -177.018
flat angles P-C4'-P energy: -106.249
tors. eta vs tors. theta energy: -196.186
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2279.184635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.184635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.184635 (E_RNA)
where:
Base-Base interactions energy: -1580.838
where: short stacking energy: -653.035
Base-Backbone interact. energy: -3.714
local terms energy: -694.633093
where:
bonds (distance) C4'-P energy: -127.630
bonds (distance) P-C4' energy: -134.823
flat angles C4'-P-C4' energy: -160.049
flat angles P-C4'-P energy: -92.659
tors. eta vs tors. theta energy: -179.472
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: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2087.710667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.710667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.710667 (E_RNA)
where:
Base-Base interactions energy: -1381.420
where: short stacking energy: -602.141
Base-Backbone interact. energy: -4.710
local terms energy: -701.580197
where:
bonds (distance) C4'-P energy: -141.733
bonds (distance) P-C4' energy: -141.894
flat angles C4'-P-C4' energy: -148.888
flat angles P-C4'-P energy: -86.715
tors. eta vs tors. theta energy: -182.350
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: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1846.732882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.732882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.732882 (E_RNA)
where:
Base-Base interactions energy: -1225.698
where: short stacking energy: -557.215
Base-Backbone interact. energy: 1.395
local terms energy: -622.429565
where:
bonds (distance) C4'-P energy: -131.994
bonds (distance) P-C4' energy: -113.493
flat angles C4'-P-C4' energy: -133.720
flat angles P-C4'-P energy: -99.115
tors. eta vs tors. theta energy: -144.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1715.300201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.300201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.300201 (E_RNA)
where:
Base-Base interactions energy: -1127.090
where: short stacking energy: -516.028
Base-Backbone interact. energy: 4.103
local terms energy: -592.312335
where:
bonds (distance) C4'-P energy: -130.712
bonds (distance) P-C4' energy: -121.003
flat angles C4'-P-C4' energy: -134.260
flat angles P-C4'-P energy: -80.349
tors. eta vs tors. theta energy: -125.988
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: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1465.416490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.416490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.416490 (E_RNA)
where:
Base-Base interactions energy: -931.815
where: short stacking energy: -420.164
Base-Backbone interact. energy: -2.016
local terms energy: -531.585595
where:
bonds (distance) C4'-P energy: -135.819
bonds (distance) P-C4' energy: -117.251
flat angles C4'-P-C4' energy: -133.652
flat angles P-C4'-P energy: -67.108
tors. eta vs tors. theta energy: -77.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1424.758710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.758710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.758710 (E_RNA)
where:
Base-Base interactions energy: -888.474
where: short stacking energy: -422.473
Base-Backbone interact. energy: -2.670
local terms energy: -533.614343
where:
bonds (distance) C4'-P energy: -127.042
bonds (distance) P-C4' energy: -133.442
flat angles C4'-P-C4' energy: -113.126
flat angles P-C4'-P energy: -66.416
tors. eta vs tors. theta energy: -93.588
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: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -937.926702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.926702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.926702 (E_RNA)
where:
Base-Base interactions energy: -496.607
where: short stacking energy: -280.590
Base-Backbone interact. energy: 2.481
local terms energy: -443.799987
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -129.675
flat angles C4'-P-C4' energy: -121.217
flat angles P-C4'-P energy: -56.207
tors. eta vs tors. theta energy: -29.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -567.771112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.771112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.771112 (E_RNA)
where:
Base-Base interactions energy: -187.047
where: short stacking energy: -143.665
Base-Backbone interact. energy: 2.482
local terms energy: -383.206174
where:
bonds (distance) C4'-P energy: -130.484
bonds (distance) P-C4' energy: -119.880
flat angles C4'-P-C4' energy: -116.887
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: 29.035
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: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2383.172333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.172333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.172333 (E_RNA)
where:
Base-Base interactions energy: -1637.938
where: short stacking energy: -700.551
Base-Backbone interact. energy: -3.454
local terms energy: -741.780595
where:
bonds (distance) C4'-P energy: -137.764
bonds (distance) P-C4' energy: -146.547
flat angles C4'-P-C4' energy: -158.989
flat angles P-C4'-P energy: -110.735
tors. eta vs tors. theta energy: -187.747
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: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2265.345974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.345974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.345974 (E_RNA)
where:
Base-Base interactions energy: -1538.331
where: short stacking energy: -685.798
Base-Backbone interact. energy: -2.381
local terms energy: -724.634214
where:
bonds (distance) C4'-P energy: -131.194
bonds (distance) P-C4' energy: -151.601
flat angles C4'-P-C4' energy: -151.953
flat angles P-C4'-P energy: -98.379
tors. eta vs tors. theta energy: -191.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2240.005084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.005084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.005084 (E_RNA)
where:
Base-Base interactions energy: -1550.668
where: short stacking energy: -648.481
Base-Backbone interact. energy: 3.253
local terms energy: -692.590143
where:
bonds (distance) C4'-P energy: -124.607
bonds (distance) P-C4' energy: -141.505
flat angles C4'-P-C4' energy: -149.822
flat angles P-C4'-P energy: -92.832
tors. eta vs tors. theta energy: -183.825
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: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2094.148812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.148812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.148812 (E_RNA)
where:
Base-Base interactions energy: -1423.767
where: short stacking energy: -612.701
Base-Backbone interact. energy: 0.255
local terms energy: -670.636525
where:
bonds (distance) C4'-P energy: -115.603
bonds (distance) P-C4' energy: -130.367
flat angles C4'-P-C4' energy: -142.403
flat angles P-C4'-P energy: -89.797
tors. eta vs tors. theta energy: -192.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1844.283329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.283329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.283329 (E_RNA)
where:
Base-Base interactions energy: -1209.057
where: short stacking energy: -542.691
Base-Backbone interact. energy: -1.200
local terms energy: -634.026490
where:
bonds (distance) C4'-P energy: -138.867
bonds (distance) P-C4' energy: -138.301
flat angles C4'-P-C4' energy: -138.494
flat angles P-C4'-P energy: -83.481
tors. eta vs tors. theta energy: -134.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1737.014294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.014294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.014294 (E_RNA)
where:
Base-Base interactions energy: -1165.694
where: short stacking energy: -501.444
Base-Backbone interact. energy: 0.140
local terms energy: -571.460103
where:
bonds (distance) C4'-P energy: -111.399
bonds (distance) P-C4' energy: -123.509
flat angles C4'-P-C4' energy: -126.560
flat angles P-C4'-P energy: -81.260
tors. eta vs tors. theta energy: -128.731
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: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1415.506629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.506629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.506629 (E_RNA)
where:
Base-Base interactions energy: -891.938
where: short stacking energy: -399.827
Base-Backbone interact. energy: -3.065
local terms energy: -520.504587
where:
bonds (distance) C4'-P energy: -108.481
bonds (distance) P-C4' energy: -111.028
flat angles C4'-P-C4' energy: -141.793
flat angles P-C4'-P energy: -85.303
tors. eta vs tors. theta energy: -73.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1377.760698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.760698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.760698 (E_RNA)
where:
Base-Base interactions energy: -841.276
where: short stacking energy: -409.970
Base-Backbone interact. energy: -1.289
local terms energy: -535.195768
where:
bonds (distance) C4'-P energy: -106.680
bonds (distance) P-C4' energy: -129.534
flat angles C4'-P-C4' energy: -130.294
flat angles P-C4'-P energy: -87.214
tors. eta vs tors. theta energy: -81.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -920.722162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.722162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.722162 (E_RNA)
where:
Base-Base interactions energy: -502.888
where: short stacking energy: -263.681
Base-Backbone interact. energy: 0.612
local terms energy: -418.445519
where:
bonds (distance) C4'-P energy: -109.903
bonds (distance) P-C4' energy: -110.838
flat angles C4'-P-C4' energy: -122.593
flat angles P-C4'-P energy: -57.097
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -548.452900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.452900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.452900 (E_RNA)
where:
Base-Base interactions energy: -225.505
where: short stacking energy: -160.587
Base-Backbone interact. energy: 2.017
local terms energy: -324.964845
where:
bonds (distance) C4'-P energy: -115.556
bonds (distance) P-C4' energy: -111.432
flat angles C4'-P-C4' energy: -69.321
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: 16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2371.513117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.513117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.513117 (E_RNA)
where:
Base-Base interactions energy: -1611.723
where: short stacking energy: -692.470
Base-Backbone interact. energy: -4.443
local terms energy: -755.347105
where:
bonds (distance) C4'-P energy: -143.975
bonds (distance) P-C4' energy: -145.868
flat angles C4'-P-C4' energy: -166.811
flat angles P-C4'-P energy: -113.122
tors. eta vs tors. theta energy: -185.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2273.844740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.844740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.844740 (E_RNA)
where:
Base-Base interactions energy: -1567.701
where: short stacking energy: -644.139
Base-Backbone interact. energy: 3.346
local terms energy: -709.490157
where:
bonds (distance) C4'-P energy: -136.885
bonds (distance) P-C4' energy: -153.420
flat angles C4'-P-C4' energy: -153.278
flat angles P-C4'-P energy: -86.816
tors. eta vs tors. theta energy: -179.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2216.341804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.341804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.341804 (E_RNA)
where:
Base-Base interactions energy: -1497.326
where: short stacking energy: -675.940
Base-Backbone interact. energy: -1.985
local terms energy: -717.030589
where:
bonds (distance) C4'-P energy: -115.621
bonds (distance) P-C4' energy: -127.967
flat angles C4'-P-C4' energy: -157.668
flat angles P-C4'-P energy: -116.180
tors. eta vs tors. theta energy: -199.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2119.157861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.157861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.157861 (E_RNA)
where:
Base-Base interactions energy: -1390.684
where: short stacking energy: -656.870
Base-Backbone interact. energy: 1.164
local terms energy: -729.638047
where:
bonds (distance) C4'-P energy: -129.555
bonds (distance) P-C4' energy: -136.153
flat angles C4'-P-C4' energy: -149.578
flat angles P-C4'-P energy: -113.914
tors. eta vs tors. theta energy: -200.438
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: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1855.946264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.946264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.946264 (E_RNA)
where:
Base-Base interactions energy: -1208.270
where: short stacking energy: -563.810
Base-Backbone interact. energy: -2.718
local terms energy: -644.958511
where:
bonds (distance) C4'-P energy: -125.258
bonds (distance) P-C4' energy: -128.417
flat angles C4'-P-C4' energy: -134.467
flat angles P-C4'-P energy: -104.949
tors. eta vs tors. theta energy: -151.866
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: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1718.384848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.384848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.384848 (E_RNA)
where:
Base-Base interactions energy: -1111.480
where: short stacking energy: -500.123
Base-Backbone interact. energy: -1.751
local terms energy: -605.154221
where:
bonds (distance) C4'-P energy: -131.556
bonds (distance) P-C4' energy: -130.903
flat angles C4'-P-C4' energy: -136.331
flat angles P-C4'-P energy: -68.710
tors. eta vs tors. theta energy: -137.654
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1381.911780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.911780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.911780 (E_RNA)
where:
Base-Base interactions energy: -867.398
where: short stacking energy: -440.610
Base-Backbone interact. energy: -2.862
local terms energy: -511.651859
where:
bonds (distance) C4'-P energy: -114.102
bonds (distance) P-C4' energy: -114.676
flat angles C4'-P-C4' energy: -121.826
flat angles P-C4'-P energy: -73.922
tors. eta vs tors. theta energy: -87.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1372.555803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.555803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.555803 (E_RNA)
where:
Base-Base interactions energy: -864.533
where: short stacking energy: -395.592
Base-Backbone interact. energy: -0.535
local terms energy: -507.488391
where:
bonds (distance) C4'-P energy: -123.277
bonds (distance) P-C4' energy: -120.864
flat angles C4'-P-C4' energy: -109.614
flat angles P-C4'-P energy: -70.006
tors. eta vs tors. theta energy: -83.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -943.964129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.964129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.964129 (E_RNA)
where:
Base-Base interactions energy: -495.265
where: short stacking energy: -283.818
Base-Backbone interact. energy: 1.981
local terms energy: -450.679980
where:
bonds (distance) C4'-P energy: -110.367
bonds (distance) P-C4' energy: -128.885
flat angles C4'-P-C4' energy: -118.046
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -42.187
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: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -556.601837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.601837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.601837 (E_RNA)
where:
Base-Base interactions energy: -191.446
where: short stacking energy: -154.568
Base-Backbone interact. energy: 3.653
local terms energy: -368.809444
where:
bonds (distance) C4'-P energy: -116.101
bonds (distance) P-C4' energy: -120.369
flat angles C4'-P-C4' energy: -99.762
flat angles P-C4'-P energy: -53.089
tors. eta vs tors. theta energy: 20.512
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: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2423.614084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.614084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.614084 (E_RNA)
where:
Base-Base interactions energy: -1682.803
where: short stacking energy: -695.882
Base-Backbone interact. energy: 0.765
local terms energy: -741.576089
where:
bonds (distance) C4'-P energy: -141.861
bonds (distance) P-C4' energy: -138.554
flat angles C4'-P-C4' energy: -152.104
flat angles P-C4'-P energy: -108.343
tors. eta vs tors. theta energy: -200.714
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: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2252.960805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.960805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.960805 (E_RNA)
where:
Base-Base interactions energy: -1527.700
where: short stacking energy: -635.780
Base-Backbone interact. energy: -3.318
local terms energy: -721.942866
where:
bonds (distance) C4'-P energy: -142.364
bonds (distance) P-C4' energy: -134.710
flat angles C4'-P-C4' energy: -156.730
flat angles P-C4'-P energy: -106.610
tors. eta vs tors. theta energy: -181.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2265.223269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.223269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.223269 (E_RNA)
where:
Base-Base interactions energy: -1556.043
where: short stacking energy: -701.813
Base-Backbone interact. energy: -3.040
local terms energy: -706.140669
where:
bonds (distance) C4'-P energy: -139.253
bonds (distance) P-C4' energy: -136.101
flat angles C4'-P-C4' energy: -141.643
flat angles P-C4'-P energy: -100.144
tors. eta vs tors. theta energy: -189.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2120.008316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.008316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.008316 (E_RNA)
where:
Base-Base interactions energy: -1409.230
where: short stacking energy: -633.994
Base-Backbone interact. energy: -1.100
local terms energy: -709.677683
where:
bonds (distance) C4'-P energy: -129.497
bonds (distance) P-C4' energy: -127.933
flat angles C4'-P-C4' energy: -153.184
flat angles P-C4'-P energy: -104.554
tors. eta vs tors. theta energy: -194.509
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: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1867.144334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.144334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.144334 (E_RNA)
where:
Base-Base interactions energy: -1228.256
where: short stacking energy: -568.187
Base-Backbone interact. energy: -4.106
local terms energy: -634.782466
where:
bonds (distance) C4'-P energy: -103.830
bonds (distance) P-C4' energy: -124.188
flat angles C4'-P-C4' energy: -151.684
flat angles P-C4'-P energy: -100.029
tors. eta vs tors. theta energy: -155.052
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: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1777.612586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.612586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.612586 (E_RNA)
where:
Base-Base interactions energy: -1177.226
where: short stacking energy: -502.084
Base-Backbone interact. energy: -2.477
local terms energy: -597.909623
where:
bonds (distance) C4'-P energy: -113.689
bonds (distance) P-C4' energy: -127.293
flat angles C4'-P-C4' energy: -138.986
flat angles P-C4'-P energy: -87.649
tors. eta vs tors. theta energy: -130.292
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: 94
Temperature: 1.200000
Total energy: -1329.327504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.327504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.327504 (E_RNA)
where:
Base-Base interactions energy: -825.717
where: short stacking energy: -387.938
Base-Backbone interact. energy: -3.276
local terms energy: -500.334702
where:
bonds (distance) C4'-P energy: -118.702
bonds (distance) P-C4' energy: -116.549
flat angles C4'-P-C4' energy: -117.893
flat angles P-C4'-P energy: -66.158
tors. eta vs tors. theta energy: -81.032
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: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1385.762750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.762750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.762750 (E_RNA)
where:
Base-Base interactions energy: -932.370
where: short stacking energy: -425.697
Base-Backbone interact. energy: 1.534
local terms energy: -454.926204
where:
bonds (distance) C4'-P energy: -91.429
bonds (distance) P-C4' energy: -106.285
flat angles C4'-P-C4' energy: -118.944
flat angles P-C4'-P energy: -60.174
tors. eta vs tors. theta energy: -78.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -879.000102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.000102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.000102 (E_RNA)
where:
Base-Base interactions energy: -441.538
where: short stacking energy: -226.827
Base-Backbone interact. energy: 1.447
local terms energy: -438.908824
where:
bonds (distance) C4'-P energy: -115.713
bonds (distance) P-C4' energy: -120.592
flat angles C4'-P-C4' energy: -123.465
flat angles P-C4'-P energy: -79.857
tors. eta vs tors. theta energy: 0.718
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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -528.635919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.635919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.635919 (E_RNA)
where:
Base-Base interactions energy: -193.485
where: short stacking energy: -151.356
Base-Backbone interact. energy: 4.634
local terms energy: -339.784078
where:
bonds (distance) C4'-P energy: -109.669
bonds (distance) P-C4' energy: -112.071
flat angles C4'-P-C4' energy: -84.757
flat angles P-C4'-P energy: -70.788
tors. eta vs tors. theta energy: 37.501
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: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2402.780053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.780053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.780053 (E_RNA)
where:
Base-Base interactions energy: -1647.090
where: short stacking energy: -692.915
Base-Backbone interact. energy: -1.882
local terms energy: -753.807393
where:
bonds (distance) C4'-P energy: -143.540
bonds (distance) P-C4' energy: -140.927
flat angles C4'-P-C4' energy: -168.368
flat angles P-C4'-P energy: -97.250
tors. eta vs tors. theta energy: -203.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2273.508349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.508349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.508349 (E_RNA)
where:
Base-Base interactions energy: -1559.904
where: short stacking energy: -659.805
Base-Backbone interact. energy: -0.974
local terms energy: -712.630672
where:
bonds (distance) C4'-P energy: -120.571
bonds (distance) P-C4' energy: -145.246
flat angles C4'-P-C4' energy: -160.042
flat angles P-C4'-P energy: -102.109
tors. eta vs tors. theta energy: -184.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2189.507481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.507481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.507481 (E_RNA)
where:
Base-Base interactions energy: -1480.244
where: short stacking energy: -670.678
Base-Backbone interact. energy: -1.602
local terms energy: -707.661895
where:
bonds (distance) C4'-P energy: -137.315
bonds (distance) P-C4' energy: -120.015
flat angles C4'-P-C4' energy: -161.640
flat angles P-C4'-P energy: -98.520
tors. eta vs tors. theta energy: -190.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2075.687289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.687289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.687289 (E_RNA)
where:
Base-Base interactions energy: -1376.881
where: short stacking energy: -621.696
Base-Backbone interact. energy: -3.689
local terms energy: -695.117303
where:
bonds (distance) C4'-P energy: -134.718
bonds (distance) P-C4' energy: -140.000
flat angles C4'-P-C4' energy: -141.417
flat angles P-C4'-P energy: -96.608
tors. eta vs tors. theta energy: -182.374
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1826.201962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.201962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.201962 (E_RNA)
where:
Base-Base interactions energy: -1179.075
where: short stacking energy: -547.354
Base-Backbone interact. energy: -3.740
local terms energy: -643.386155
where:
bonds (distance) C4'-P energy: -136.307
bonds (distance) P-C4' energy: -129.642
flat angles C4'-P-C4' energy: -144.397
flat angles P-C4'-P energy: -90.722
tors. eta vs tors. theta energy: -142.317
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: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1843.752480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.752480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.752480 (E_RNA)
where:
Base-Base interactions energy: -1244.496
where: short stacking energy: -561.972
Base-Backbone interact. energy: 0.253
local terms energy: -599.509155
where:
bonds (distance) C4'-P energy: -117.645
bonds (distance) P-C4' energy: -110.704
flat angles C4'-P-C4' energy: -149.411
flat angles P-C4'-P energy: -76.686
tors. eta vs tors. theta energy: -145.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1301.319328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.319328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.319328 (E_RNA)
where:
Base-Base interactions energy: -804.333
where: short stacking energy: -417.132
Base-Backbone interact. energy: -2.624
local terms energy: -494.362848
where:
bonds (distance) C4'-P energy: -103.821
bonds (distance) P-C4' energy: -128.362
flat angles C4'-P-C4' energy: -126.630
flat angles P-C4'-P energy: -58.496
tors. eta vs tors. theta energy: -77.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1458.427706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.427706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.427706 (E_RNA)
where:
Base-Base interactions energy: -917.259
where: short stacking energy: -403.018
Base-Backbone interact. energy: -2.857
local terms energy: -538.311894
where:
bonds (distance) C4'-P energy: -112.244
bonds (distance) P-C4' energy: -124.655
flat angles C4'-P-C4' energy: -131.833
flat angles P-C4'-P energy: -82.301
tors. eta vs tors. theta energy: -87.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -879.724373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.724373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.724373 (E_RNA)
where:
Base-Base interactions energy: -455.912
where: short stacking energy: -255.730
Base-Backbone interact. energy: 0.368
local terms energy: -424.179939
where:
bonds (distance) C4'-P energy: -121.100
bonds (distance) P-C4' energy: -119.144
flat angles C4'-P-C4' energy: -105.861
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -18.884
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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -546.604196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.604196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.604196 (E_RNA)
where:
Base-Base interactions energy: -189.126
where: short stacking energy: -157.489
Base-Backbone interact. energy: 2.915
local terms energy: -360.393220
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -122.118
flat angles C4'-P-C4' energy: -102.017
flat angles P-C4'-P energy: -62.837
tors. eta vs tors. theta energy: 22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2388.970713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.970713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.970713 (E_RNA)
where:
Base-Base interactions energy: -1629.176
where: short stacking energy: -687.125
Base-Backbone interact. energy: -3.522
local terms energy: -756.273244
where:
bonds (distance) C4'-P energy: -146.760
bonds (distance) P-C4' energy: -149.273
flat angles C4'-P-C4' energy: -157.381
flat angles P-C4'-P energy: -105.729
tors. eta vs tors. theta energy: -197.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2257.455316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.455316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.455316 (E_RNA)
where:
Base-Base interactions energy: -1548.447
where: short stacking energy: -645.250
Base-Backbone interact. energy: -2.970
local terms energy: -706.038061
where:
bonds (distance) C4'-P energy: -130.825
bonds (distance) P-C4' energy: -139.895
flat angles C4'-P-C4' energy: -141.831
flat angles P-C4'-P energy: -103.053
tors. eta vs tors. theta energy: -190.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2200.383933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.383933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.383933 (E_RNA)
where:
Base-Base interactions energy: -1489.027
where: short stacking energy: -666.910
Base-Backbone interact. energy: -1.212
local terms energy: -710.145001
where:
bonds (distance) C4'-P energy: -122.139
bonds (distance) P-C4' energy: -136.203
flat angles C4'-P-C4' energy: -157.896
flat angles P-C4'-P energy: -97.227
tors. eta vs tors. theta energy: -196.680
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2140.220778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.220778 (E_RNA)
where:
Base-Base interactions energy: -1424.009
where: short stacking energy: -653.136
Base-Backbone interact. energy: -3.680
local terms energy: -712.531372
where:
bonds (distance) C4'-P energy: -141.146
bonds (distance) P-C4' energy: -135.220
flat angles C4'-P-C4' energy: -156.692
flat angles P-C4'-P energy: -98.902
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: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1882.212211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.212211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.212211 (E_RNA)
where:
Base-Base interactions energy: -1243.644
where: short stacking energy: -578.873
Base-Backbone interact. energy: -6.460
local terms energy: -632.108175
where:
bonds (distance) C4'-P energy: -125.811
bonds (distance) P-C4' energy: -117.328
flat angles C4'-P-C4' energy: -145.835
flat angles P-C4'-P energy: -81.679
tors. eta vs tors. theta energy: -161.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1809.231896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.231896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.231896 (E_RNA)
where:
Base-Base interactions energy: -1214.154
where: short stacking energy: -550.056
Base-Backbone interact. energy: -0.058
local terms energy: -595.019705
where:
bonds (distance) C4'-P energy: -113.809
bonds (distance) P-C4' energy: -129.868
flat angles C4'-P-C4' energy: -129.671
flat angles P-C4'-P energy: -77.893
tors. eta vs tors. theta energy: -143.779
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: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1537.909445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.909445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.909445 (E_RNA)
where:
Base-Base interactions energy: -987.812
where: short stacking energy: -431.834
Base-Backbone interact. energy: 2.929
local terms energy: -553.026724
where:
bonds (distance) C4'-P energy: -135.016
bonds (distance) P-C4' energy: -113.269
flat angles C4'-P-C4' energy: -134.783
flat angles P-C4'-P energy: -71.654
tors. eta vs tors. theta energy: -98.304
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1114.487564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.487564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.487564 (E_RNA)
where:
Base-Base interactions energy: -683.906
where: short stacking energy: -333.692
Base-Backbone interact. energy: -2.261
local terms energy: -428.320575
where:
bonds (distance) C4'-P energy: -115.102
bonds (distance) P-C4' energy: -87.105
flat angles C4'-P-C4' energy: -119.226
flat angles P-C4'-P energy: -66.776
tors. eta vs tors. theta energy: -40.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -911.636998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.636998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.636998 (E_RNA)
where:
Base-Base interactions energy: -503.592
where: short stacking energy: -269.720
Base-Backbone interact. energy: 4.732
local terms energy: -412.777512
where:
bonds (distance) C4'-P energy: -116.725
bonds (distance) P-C4' energy: -119.379
flat angles C4'-P-C4' energy: -97.418
flat angles P-C4'-P energy: -56.822
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -563.396590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.396590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.396590 (E_RNA)
where:
Base-Base interactions energy: -210.210
where: short stacking energy: -184.732
Base-Backbone interact. energy: 8.654
local terms energy: -361.840966
where:
bonds (distance) C4'-P energy: -115.912
bonds (distance) P-C4' energy: -120.528
flat angles C4'-P-C4' energy: -92.031
flat angles P-C4'-P energy: -41.339
tors. eta vs tors. theta energy: 7.968
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: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2387.719731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.719731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.719731 (E_RNA)
where:
Base-Base interactions energy: -1640.794
where: short stacking energy: -705.320
Base-Backbone interact. energy: 2.206
local terms energy: -749.131203
where:
bonds (distance) C4'-P energy: -142.039
bonds (distance) P-C4' energy: -157.215
flat angles C4'-P-C4' energy: -158.654
flat angles P-C4'-P energy: -90.545
tors. eta vs tors. theta energy: -200.678
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: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2243.712672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.712672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.712672 (E_RNA)
where:
Base-Base interactions energy: -1530.613
where: short stacking energy: -629.871
Base-Backbone interact. energy: -0.627
local terms energy: -712.472749
where:
bonds (distance) C4'-P energy: -134.098
bonds (distance) P-C4' energy: -143.404
flat angles C4'-P-C4' energy: -155.740
flat angles P-C4'-P energy: -89.906
tors. eta vs tors. theta energy: -189.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2255.485727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.485727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.485727 (E_RNA)
where:
Base-Base interactions energy: -1574.926
where: short stacking energy: -716.030
Base-Backbone interact. energy: -0.716
local terms energy: -679.843704
where:
bonds (distance) C4'-P energy: -125.957
bonds (distance) P-C4' energy: -110.323
flat angles C4'-P-C4' energy: -152.403
flat angles P-C4'-P energy: -87.831
tors. eta vs tors. theta energy: -203.330
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2072.409691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.409691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.409691 (E_RNA)
where:
Base-Base interactions energy: -1372.207
where: short stacking energy: -637.654
Base-Backbone interact. energy: -2.432
local terms energy: -697.771351
where:
bonds (distance) C4'-P energy: -124.419
bonds (distance) P-C4' energy: -135.390
flat angles C4'-P-C4' energy: -148.048
flat angles P-C4'-P energy: -101.763
tors. eta vs tors. theta energy: -188.151
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: 7
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1852.461892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.461892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.461892 (E_RNA)
where:
Base-Base interactions energy: -1219.504
where: short stacking energy: -570.377
Base-Backbone interact. energy: -1.032
local terms energy: -631.925864
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -115.166
flat angles C4'-P-C4' energy: -139.943
flat angles P-C4'-P energy: -90.873
tors. eta vs tors. theta energy: -158.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1869.650492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.650492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.650492 (E_RNA)
where:
Base-Base interactions energy: -1244.265
where: short stacking energy: -546.873
Base-Backbone interact. energy: -1.876
local terms energy: -623.509752
where:
bonds (distance) C4'-P energy: -114.899
bonds (distance) P-C4' energy: -133.432
flat angles C4'-P-C4' energy: -134.005
flat angles P-C4'-P energy: -80.789
tors. eta vs tors. theta energy: -160.385
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: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1555.344683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.344683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.344683 (E_RNA)
where:
Base-Base interactions energy: -983.592
where: short stacking energy: -428.200
Base-Backbone interact. energy: -1.368
local terms energy: -570.385263
where:
bonds (distance) C4'-P energy: -119.753
bonds (distance) P-C4' energy: -130.470
flat angles C4'-P-C4' energy: -145.127
flat angles P-C4'-P energy: -78.128
tors. eta vs tors. theta energy: -96.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1054.593395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.593395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.593395 (E_RNA)
where:
Base-Base interactions energy: -612.285
where: short stacking energy: -295.507
Base-Backbone interact. energy: -0.275
local terms energy: -442.033122
where:
bonds (distance) C4'-P energy: -108.607
bonds (distance) P-C4' energy: -135.203
flat angles C4'-P-C4' energy: -107.441
flat angles P-C4'-P energy: -53.933
tors. eta vs tors. theta energy: -36.850
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: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -904.400585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.400585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.400585 (E_RNA)
where:
Base-Base interactions energy: -483.236
where: short stacking energy: -253.117
Base-Backbone interact. energy: 2.869
local terms energy: -424.034072
where:
bonds (distance) C4'-P energy: -103.211
bonds (distance) P-C4' energy: -134.868
flat angles C4'-P-C4' energy: -111.466
flat angles P-C4'-P energy: -53.994
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: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -597.110285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.110285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.110285 (E_RNA)
where:
Base-Base interactions energy: -253.610
where: short stacking energy: -187.628
Base-Backbone interact. energy: 2.176
local terms energy: -345.675778
where:
bonds (distance) C4'-P energy: -109.060
bonds (distance) P-C4' energy: -114.891
flat angles C4'-P-C4' energy: -90.328
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: 14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2392.377462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.377462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.377462 (E_RNA)
where:
Base-Base interactions energy: -1650.255
where: short stacking energy: -723.033
Base-Backbone interact. energy: -3.104
local terms energy: -739.018038
where:
bonds (distance) C4'-P energy: -139.439
bonds (distance) P-C4' energy: -144.202
flat angles C4'-P-C4' energy: -161.037
flat angles P-C4'-P energy: -93.171
tors. eta vs tors. theta energy: -201.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2235.590423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.590423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.590423 (E_RNA)
where:
Base-Base interactions energy: -1513.648
where: short stacking energy: -668.010
Base-Backbone interact. energy: -5.438
local terms energy: -716.504397
where:
bonds (distance) C4'-P energy: -126.105
bonds (distance) P-C4' energy: -117.224
flat angles C4'-P-C4' energy: -166.042
flat angles P-C4'-P energy: -102.681
tors. eta vs tors. theta energy: -204.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2268.080040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.080040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.080040 (E_RNA)
where:
Base-Base interactions energy: -1529.430
where: short stacking energy: -699.234
Base-Backbone interact. energy: -3.382
local terms energy: -735.267675
where:
bonds (distance) C4'-P energy: -142.683
bonds (distance) P-C4' energy: -129.472
flat angles C4'-P-C4' energy: -165.872
flat angles P-C4'-P energy: -98.935
tors. eta vs tors. theta energy: -198.305
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: 98
Temperature: 1.050000
Total energy: -2120.014673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.014673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.014673 (E_RNA)
where:
Base-Base interactions energy: -1441.593
where: short stacking energy: -614.556
Base-Backbone interact. energy: -4.404
local terms energy: -674.017352
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -117.122
flat angles C4'-P-C4' energy: -143.981
flat angles P-C4'-P energy: -100.799
tors. eta vs tors. theta energy: -179.627
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: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1902.048679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.048679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.048679 (E_RNA)
where:
Base-Base interactions energy: -1266.760
where: short stacking energy: -562.693
Base-Backbone interact. energy: -1.907
local terms energy: -633.382074
where:
bonds (distance) C4'-P energy: -111.580
bonds (distance) P-C4' energy: -137.458
flat angles C4'-P-C4' energy: -144.035
flat angles P-C4'-P energy: -106.047
tors. eta vs tors. theta energy: -134.262
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: 98
Temperature: 1.150000
Total energy: -1745.962207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.962207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.962207 (E_RNA)
where:
Base-Base interactions energy: -1123.975
where: short stacking energy: -514.488
Base-Backbone interact. energy: -4.331
local terms energy: -617.655792
where:
bonds (distance) C4'-P energy: -131.343
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -145.884
flat angles P-C4'-P energy: -94.321
tors. eta vs tors. theta energy: -129.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1550.615366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.615366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.615366 (E_RNA)
where:
Base-Base interactions energy: -981.071
where: short stacking energy: -457.279
Base-Backbone interact. energy: -2.385
local terms energy: -567.158975
where:
bonds (distance) C4'-P energy: -111.388
bonds (distance) P-C4' energy: -116.331
flat angles C4'-P-C4' energy: -133.024
flat angles P-C4'-P energy: -99.317
tors. eta vs tors. theta energy: -107.099
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: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1031.713966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.713966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.713966 (E_RNA)
where:
Base-Base interactions energy: -590.457
where: short stacking energy: -292.979
Base-Backbone interact. energy: 1.696
local terms energy: -442.953537
where:
bonds (distance) C4'-P energy: -122.774
bonds (distance) P-C4' energy: -123.726
flat angles C4'-P-C4' energy: -117.474
flat angles P-C4'-P energy: -50.913
tors. eta vs tors. theta energy: -28.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -971.832650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.832650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.832650 (E_RNA)
where:
Base-Base interactions energy: -530.286
where: short stacking energy: -281.258
Base-Backbone interact. energy: -1.306
local terms energy: -440.241307
where:
bonds (distance) C4'-P energy: -102.239
bonds (distance) P-C4' energy: -123.443
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -67.195
tors. eta vs tors. theta energy: -43.439
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: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -564.227937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.227937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.227937 (E_RNA)
where:
Base-Base interactions energy: -200.957
where: short stacking energy: -154.294
Base-Backbone interact. energy: -0.219
local terms energy: -363.052439
where:
bonds (distance) C4'-P energy: -113.647
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -120.330
flat angles P-C4'-P energy: -55.397
tors. eta vs tors. theta energy: 34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2382.614464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.614464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.614464 (E_RNA)
where:
Base-Base interactions energy: -1634.039
where: short stacking energy: -687.667
Base-Backbone interact. energy: -3.528
local terms energy: -745.046708
where:
bonds (distance) C4'-P energy: -127.839
bonds (distance) P-C4' energy: -150.016
flat angles C4'-P-C4' energy: -168.969
flat angles P-C4'-P energy: -91.417
tors. eta vs tors. theta energy: -206.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2246.224825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.224825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.224825 (E_RNA)
where:
Base-Base interactions energy: -1522.010
where: short stacking energy: -647.228
Base-Backbone interact. energy: -3.084
local terms energy: -721.131038
where:
bonds (distance) C4'-P energy: -152.439
bonds (distance) P-C4' energy: -134.026
flat angles C4'-P-C4' energy: -156.677
flat angles P-C4'-P energy: -90.756
tors. eta vs tors. theta energy: -187.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2243.336022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.336022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.336022 (E_RNA)
where:
Base-Base interactions energy: -1529.566
where: short stacking energy: -687.752
Base-Backbone interact. energy: -3.245
local terms energy: -710.524366
where:
bonds (distance) C4'-P energy: -110.470
bonds (distance) P-C4' energy: -142.218
flat angles C4'-P-C4' energy: -157.218
flat angles P-C4'-P energy: -97.356
tors. eta vs tors. theta energy: -203.262
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2087.151562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.151562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.151562 (E_RNA)
where:
Base-Base interactions energy: -1401.566
where: short stacking energy: -612.412
Base-Backbone interact. energy: -6.426
local terms energy: -679.160181
where:
bonds (distance) C4'-P energy: -108.018
bonds (distance) P-C4' energy: -150.492
flat angles C4'-P-C4' energy: -151.787
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -178.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1906.006622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.006622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.006622 (E_RNA)
where:
Base-Base interactions energy: -1302.720
where: short stacking energy: -561.568
Base-Backbone interact. energy: -2.526
local terms energy: -600.760478
where:
bonds (distance) C4'-P energy: -130.795
bonds (distance) P-C4' energy: -116.541
flat angles C4'-P-C4' energy: -137.946
flat angles P-C4'-P energy: -77.274
tors. eta vs tors. theta energy: -138.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1785.885093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.885093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.885093 (E_RNA)
where:
Base-Base interactions energy: -1197.441
where: short stacking energy: -536.475
Base-Backbone interact. energy: 1.350
local terms energy: -589.794086
where:
bonds (distance) C4'-P energy: -114.434
bonds (distance) P-C4' energy: -127.695
flat angles C4'-P-C4' energy: -137.655
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: -133.205
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: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1583.889479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.889479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.889479 (E_RNA)
where:
Base-Base interactions energy: -1037.731
where: short stacking energy: -485.394
Base-Backbone interact. energy: -1.517
local terms energy: -544.641784
where:
bonds (distance) C4'-P energy: -120.459
bonds (distance) P-C4' energy: -117.225
flat angles C4'-P-C4' energy: -114.104
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -112.443
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: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1047.825653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.825653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.825653 (E_RNA)
where:
Base-Base interactions energy: -594.583
where: short stacking energy: -310.945
Base-Backbone interact. energy: -0.182
local terms energy: -453.060456
where:
bonds (distance) C4'-P energy: -125.467
bonds (distance) P-C4' energy: -115.359
flat angles C4'-P-C4' energy: -110.903
flat angles P-C4'-P energy: -55.958
tors. eta vs tors. theta energy: -45.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -961.597691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.597691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.597691 (E_RNA)
where:
Base-Base interactions energy: -548.375
where: short stacking energy: -280.556
Base-Backbone interact. energy: 1.716
local terms energy: -414.938912
where:
bonds (distance) C4'-P energy: -105.277
bonds (distance) P-C4' energy: -115.825
flat angles C4'-P-C4' energy: -113.794
flat angles P-C4'-P energy: -53.534
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -554.525898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.525898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.525898 (E_RNA)
where:
Base-Base interactions energy: -199.200
where: short stacking energy: -157.195
Base-Backbone interact. energy: 3.714
local terms energy: -359.040447
where:
bonds (distance) C4'-P energy: -94.262
bonds (distance) P-C4' energy: -120.580
flat angles C4'-P-C4' energy: -104.733
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: 9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2394.572130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.572130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.572130 (E_RNA)
where:
Base-Base interactions energy: -1656.397
where: short stacking energy: -725.378
Base-Backbone interact. energy: -2.045
local terms energy: -736.129889
where:
bonds (distance) C4'-P energy: -135.131
bonds (distance) P-C4' energy: -147.908
flat angles C4'-P-C4' energy: -163.828
flat angles P-C4'-P energy: -87.560
tors. eta vs tors. theta energy: -201.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2254.402410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.402410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.402410 (E_RNA)
where:
Base-Base interactions energy: -1536.409
where: short stacking energy: -662.442
Base-Backbone interact. energy: 1.689
local terms energy: -719.682934
where:
bonds (distance) C4'-P energy: -132.360
bonds (distance) P-C4' energy: -145.609
flat angles C4'-P-C4' energy: -157.235
flat angles P-C4'-P energy: -97.211
tors. eta vs tors. theta energy: -187.267
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2260.215374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.215374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.215374 (E_RNA)
where:
Base-Base interactions energy: -1512.646
where: short stacking energy: -693.981
Base-Backbone interact. energy: -3.866
local terms energy: -743.703539
where:
bonds (distance) C4'-P energy: -128.001
bonds (distance) P-C4' energy: -143.557
flat angles C4'-P-C4' energy: -156.672
flat angles P-C4'-P energy: -108.357
tors. eta vs tors. theta energy: -207.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2068.924840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.924840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.924840 (E_RNA)
where:
Base-Base interactions energy: -1371.332
where: short stacking energy: -636.186
Base-Backbone interact. energy: -0.913
local terms energy: -696.679825
where:
bonds (distance) C4'-P energy: -126.137
bonds (distance) P-C4' energy: -132.953
flat angles C4'-P-C4' energy: -159.827
flat angles P-C4'-P energy: -97.810
tors. eta vs tors. theta energy: -179.953
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: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1938.471249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.471249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.471249 (E_RNA)
where:
Base-Base interactions energy: -1282.534
where: short stacking energy: -574.859
Base-Backbone interact. energy: -3.326
local terms energy: -652.611763
where:
bonds (distance) C4'-P energy: -127.146
bonds (distance) P-C4' energy: -122.185
flat angles C4'-P-C4' energy: -137.208
flat angles P-C4'-P energy: -100.083
tors. eta vs tors. theta energy: -165.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1769.141617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.141617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.141617 (E_RNA)
where:
Base-Base interactions energy: -1164.346
where: short stacking energy: -520.329
Base-Backbone interact. energy: -1.269
local terms energy: -603.526742
where:
bonds (distance) C4'-P energy: -126.560
bonds (distance) P-C4' energy: -110.779
flat angles C4'-P-C4' energy: -127.865
flat angles P-C4'-P energy: -100.797
tors. eta vs tors. theta energy: -137.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1621.514113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.514113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.514113 (E_RNA)
where:
Base-Base interactions energy: -1067.533
where: short stacking energy: -483.548
Base-Backbone interact. energy: -1.118
local terms energy: -552.863743
where:
bonds (distance) C4'-P energy: -115.107
bonds (distance) P-C4' energy: -128.586
flat angles C4'-P-C4' energy: -120.284
flat angles P-C4'-P energy: -81.087
tors. eta vs tors. theta energy: -107.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1025.448690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.448690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.448690 (E_RNA)
where:
Base-Base interactions energy: -565.997
where: short stacking energy: -271.724
Base-Backbone interact. energy: -1.146
local terms energy: -458.305571
where:
bonds (distance) C4'-P energy: -105.052
bonds (distance) P-C4' energy: -105.721
flat angles C4'-P-C4' energy: -123.556
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -43.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -943.944160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.944160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.944160 (E_RNA)
where:
Base-Base interactions energy: -495.108
where: short stacking energy: -274.426
Base-Backbone interact. energy: 3.691
local terms energy: -452.527120
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -117.185
flat angles C4'-P-C4' energy: -123.786
flat angles P-C4'-P energy: -79.184
tors. eta vs tors. theta energy: -24.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -530.221417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.221417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.221417 (E_RNA)
where:
Base-Base interactions energy: -171.392
where: short stacking energy: -154.521
Base-Backbone interact. energy: -2.242
local terms energy: -356.587872
where:
bonds (distance) C4'-P energy: -97.988
bonds (distance) P-C4' energy: -123.418
flat angles C4'-P-C4' energy: -90.286
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: 11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2365.567297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.567297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.567297 (E_RNA)
where:
Base-Base interactions energy: -1619.275
where: short stacking energy: -714.407
Base-Backbone interact. energy: -3.227
local terms energy: -743.065061
where:
bonds (distance) C4'-P energy: -137.462
bonds (distance) P-C4' energy: -133.886
flat angles C4'-P-C4' energy: -153.222
flat angles P-C4'-P energy: -120.530
tors. eta vs tors. theta energy: -197.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2332.120795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.120795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.120795 (E_RNA)
where:
Base-Base interactions energy: -1593.770
where: short stacking energy: -690.943
Base-Backbone interact. energy: 0.548
local terms energy: -738.899286
where:
bonds (distance) C4'-P energy: -135.260
bonds (distance) P-C4' energy: -138.361
flat angles C4'-P-C4' energy: -158.324
flat angles P-C4'-P energy: -103.544
tors. eta vs tors. theta energy: -203.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2189.719342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.719342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.719342 (E_RNA)
where:
Base-Base interactions energy: -1478.807
where: short stacking energy: -634.641
Base-Backbone interact. energy: -2.486
local terms energy: -708.426188
where:
bonds (distance) C4'-P energy: -133.245
bonds (distance) P-C4' energy: -135.290
flat angles C4'-P-C4' energy: -160.759
flat angles P-C4'-P energy: -104.069
tors. eta vs tors. theta energy: -175.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2044.661239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.661239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.661239 (E_RNA)
where:
Base-Base interactions energy: -1354.484
where: short stacking energy: -611.286
Base-Backbone interact. energy: -2.774
local terms energy: -687.403097
where:
bonds (distance) C4'-P energy: -140.377
bonds (distance) P-C4' energy: -121.997
flat angles C4'-P-C4' energy: -146.462
flat angles P-C4'-P energy: -105.805
tors. eta vs tors. theta energy: -172.761
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: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1932.950775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.950775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.950775 (E_RNA)
where:
Base-Base interactions energy: -1277.886
where: short stacking energy: -565.644
Base-Backbone interact. energy: -4.074
local terms energy: -650.990535
where:
bonds (distance) C4'-P energy: -133.184
bonds (distance) P-C4' energy: -143.331
flat angles C4'-P-C4' energy: -131.349
flat angles P-C4'-P energy: -91.106
tors. eta vs tors. theta energy: -152.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1780.208183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.208183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.208183 (E_RNA)
where:
Base-Base interactions energy: -1171.788
where: short stacking energy: -497.614
Base-Backbone interact. energy: -3.308
local terms energy: -605.112898
where:
bonds (distance) C4'-P energy: -119.920
bonds (distance) P-C4' energy: -130.176
flat angles C4'-P-C4' energy: -139.908
flat angles P-C4'-P energy: -90.372
tors. eta vs tors. theta energy: -124.737
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: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1570.272175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.272175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.272175 (E_RNA)
where:
Base-Base interactions energy: -997.691
where: short stacking energy: -476.960
Base-Backbone interact. energy: 2.842
local terms energy: -575.423407
where:
bonds (distance) C4'-P energy: -130.174
bonds (distance) P-C4' energy: -127.479
flat angles C4'-P-C4' energy: -129.193
flat angles P-C4'-P energy: -85.859
tors. eta vs tors. theta energy: -102.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1131.472725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.472725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.472725 (E_RNA)
where:
Base-Base interactions energy: -646.542
where: short stacking energy: -322.050
Base-Backbone interact. energy: -1.515
local terms energy: -483.416278
where:
bonds (distance) C4'-P energy: -122.638
bonds (distance) P-C4' energy: -121.129
flat angles C4'-P-C4' energy: -113.851
flat angles P-C4'-P energy: -81.955
tors. eta vs tors. theta energy: -43.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -942.088168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.088168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.088168 (E_RNA)
where:
Base-Base interactions energy: -515.696
where: short stacking energy: -286.130
Base-Backbone interact. energy: -2.965
local terms energy: -423.427901
where:
bonds (distance) C4'-P energy: -111.391
bonds (distance) P-C4' energy: -126.580
flat angles C4'-P-C4' energy: -90.256
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -550.888301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.888301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.888301 (E_RNA)
where:
Base-Base interactions energy: -202.559
where: short stacking energy: -160.756
Base-Backbone interact. energy: -2.516
local terms energy: -345.812953
where:
bonds (distance) C4'-P energy: -107.836
bonds (distance) P-C4' energy: -126.120
flat angles C4'-P-C4' energy: -84.797
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: 14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2380.933398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.933398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.933398 (E_RNA)
where:
Base-Base interactions energy: -1619.579
where: short stacking energy: -716.439
Base-Backbone interact. energy: -1.606
local terms energy: -759.748510
where:
bonds (distance) C4'-P energy: -146.490
bonds (distance) P-C4' energy: -138.089
flat angles C4'-P-C4' energy: -156.658
flat angles P-C4'-P energy: -108.999
tors. eta vs tors. theta energy: -209.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2342.326842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.326842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.326842 (E_RNA)
where:
Base-Base interactions energy: -1607.584
where: short stacking energy: -715.910
Base-Backbone interact. energy: -4.108
local terms energy: -730.634717
where:
bonds (distance) C4'-P energy: -135.683
bonds (distance) P-C4' energy: -132.590
flat angles C4'-P-C4' energy: -160.720
flat angles P-C4'-P energy: -92.734
tors. eta vs tors. theta energy: -208.908
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: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2200.899588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.899588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.899588 (E_RNA)
where:
Base-Base interactions energy: -1467.227
where: short stacking energy: -661.466
Base-Backbone interact. energy: -1.998
local terms energy: -731.674505
where:
bonds (distance) C4'-P energy: -126.743
bonds (distance) P-C4' energy: -158.131
flat angles C4'-P-C4' energy: -156.152
flat angles P-C4'-P energy: -96.792
tors. eta vs tors. theta energy: -193.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2063.037035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.037035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.037035 (E_RNA)
where:
Base-Base interactions energy: -1395.614
where: short stacking energy: -637.778
Base-Backbone interact. energy: -5.571
local terms energy: -661.852018
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -125.739
flat angles C4'-P-C4' energy: -159.966
flat angles P-C4'-P energy: -86.384
tors. eta vs tors. theta energy: -172.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1972.923093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.923093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.923093 (E_RNA)
where:
Base-Base interactions energy: -1322.358
where: short stacking energy: -579.121
Base-Backbone interact. energy: -2.906
local terms energy: -647.658888
where:
bonds (distance) C4'-P energy: -110.948
bonds (distance) P-C4' energy: -136.412
flat angles C4'-P-C4' energy: -148.795
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -158.216
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: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1732.847091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.847091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.847091 (E_RNA)
where:
Base-Base interactions energy: -1151.944
where: short stacking energy: -501.553
Base-Backbone interact. energy: 4.041
local terms energy: -584.943264
where:
bonds (distance) C4'-P energy: -125.463
bonds (distance) P-C4' energy: -132.838
flat angles C4'-P-C4' energy: -125.887
flat angles P-C4'-P energy: -87.974
tors. eta vs tors. theta energy: -112.782
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: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1576.804805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.804805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.804805 (E_RNA)
where:
Base-Base interactions energy: -1032.861
where: short stacking energy: -502.663
Base-Backbone interact. energy: -0.020
local terms energy: -543.923710
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -124.962
flat angles C4'-P-C4' energy: -135.511
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -115.476
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: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1131.738756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.738756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.738756 (E_RNA)
where:
Base-Base interactions energy: -656.484
where: short stacking energy: -343.068
Base-Backbone interact. energy: 0.157
local terms energy: -475.412165
where:
bonds (distance) C4'-P energy: -110.653
bonds (distance) P-C4' energy: -117.301
flat angles C4'-P-C4' energy: -127.022
flat angles P-C4'-P energy: -72.875
tors. eta vs tors. theta energy: -47.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -904.415415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.415415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.415415 (E_RNA)
where:
Base-Base interactions energy: -520.152
where: short stacking energy: -283.491
Base-Backbone interact. energy: 6.288
local terms energy: -390.550850
where:
bonds (distance) C4'-P energy: -104.067
bonds (distance) P-C4' energy: -118.302
flat angles C4'-P-C4' energy: -99.984
flat angles P-C4'-P energy: -58.824
tors. eta vs tors. theta energy: -9.374
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: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -571.409544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.409544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.409544 (E_RNA)
where:
Base-Base interactions energy: -211.131
where: short stacking energy: -137.435
Base-Backbone interact. energy: 0.853
local terms energy: -361.132136
where:
bonds (distance) C4'-P energy: -106.630
bonds (distance) P-C4' energy: -124.510
flat angles C4'-P-C4' energy: -92.025
flat angles P-C4'-P energy: -52.559
tors. eta vs tors. theta energy: 14.592
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: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2393.545157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.545157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.545157 (E_RNA)
where:
Base-Base interactions energy: -1627.784
where: short stacking energy: -708.715
Base-Backbone interact. energy: -0.301
local terms energy: -765.459816
where:
bonds (distance) C4'-P energy: -151.435
bonds (distance) P-C4' energy: -149.645
flat angles C4'-P-C4' energy: -159.075
flat angles P-C4'-P energy: -98.457
tors. eta vs tors. theta energy: -206.847
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: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2326.295076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.295076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.295076 (E_RNA)
where:
Base-Base interactions energy: -1608.021
where: short stacking energy: -686.320
Base-Backbone interact. energy: -2.122
local terms energy: -716.152505
where:
bonds (distance) C4'-P energy: -134.266
bonds (distance) P-C4' energy: -137.504
flat angles C4'-P-C4' energy: -163.817
flat angles P-C4'-P energy: -92.937
tors. eta vs tors. theta energy: -187.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2201.094998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.094998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.094998 (E_RNA)
where:
Base-Base interactions energy: -1485.536
where: short stacking energy: -644.187
Base-Backbone interact. energy: -3.778
local terms energy: -711.781099
where:
bonds (distance) C4'-P energy: -137.642
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -152.976
flat angles P-C4'-P energy: -95.232
tors. eta vs tors. theta energy: -188.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2072.968901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.968901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.968901 (E_RNA)
where:
Base-Base interactions energy: -1389.142
where: short stacking energy: -622.120
Base-Backbone interact. energy: -1.795
local terms energy: -682.031665
where:
bonds (distance) C4'-P energy: -136.020
bonds (distance) P-C4' energy: -123.658
flat angles C4'-P-C4' energy: -147.810
flat angles P-C4'-P energy: -96.170
tors. eta vs tors. theta energy: -178.373
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: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2045.340230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.340230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.340230 (E_RNA)
where:
Base-Base interactions energy: -1393.771
where: short stacking energy: -597.244
Base-Backbone interact. energy: -3.970
local terms energy: -647.598627
where:
bonds (distance) C4'-P energy: -123.207
bonds (distance) P-C4' energy: -130.697
flat angles C4'-P-C4' energy: -130.104
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -170.027
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: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1770.464178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.464178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.464178 (E_RNA)
where:
Base-Base interactions energy: -1157.209
where: short stacking energy: -500.798
Base-Backbone interact. energy: 3.335
local terms energy: -616.589489
where:
bonds (distance) C4'-P energy: -134.642
bonds (distance) P-C4' energy: -149.641
flat angles C4'-P-C4' energy: -124.807
flat angles P-C4'-P energy: -97.997
tors. eta vs tors. theta energy: -109.503
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: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1584.472158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.472158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.472158 (E_RNA)
where:
Base-Base interactions energy: -1024.531
where: short stacking energy: -463.510
Base-Backbone interact. energy: -2.111
local terms energy: -557.830837
where:
bonds (distance) C4'-P energy: -104.686
bonds (distance) P-C4' energy: -120.437
flat angles C4'-P-C4' energy: -146.136
flat angles P-C4'-P energy: -73.877
tors. eta vs tors. theta energy: -112.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1142.031052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.031052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.031052 (E_RNA)
where:
Base-Base interactions energy: -664.334
where: short stacking energy: -337.916
Base-Backbone interact. energy: 1.690
local terms energy: -479.386757
where:
bonds (distance) C4'-P energy: -111.355
bonds (distance) P-C4' energy: -118.479
flat angles C4'-P-C4' energy: -125.078
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -53.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -844.021127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.021127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.021127 (E_RNA)
where:
Base-Base interactions energy: -419.452
where: short stacking energy: -260.022
Base-Backbone interact. energy: 4.975
local terms energy: -429.543890
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -126.553
flat angles C4'-P-C4' energy: -102.605
flat angles P-C4'-P energy: -64.532
tors. eta vs tors. theta energy: -15.953
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: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -618.927049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.927049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.927049 (E_RNA)
where:
Base-Base interactions energy: -264.281
where: short stacking energy: -198.149
Base-Backbone interact. energy: -6.475
local terms energy: -348.170236
where:
bonds (distance) C4'-P energy: -81.403
bonds (distance) P-C4' energy: -107.021
flat angles C4'-P-C4' energy: -100.360
flat angles P-C4'-P energy: -70.295
tors. eta vs tors. theta energy: 10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2411.490758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.490758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.490758 (E_RNA)
where:
Base-Base interactions energy: -1642.687
where: short stacking energy: -699.676
Base-Backbone interact. energy: -4.670
local terms energy: -764.133473
where:
bonds (distance) C4'-P energy: -136.654
bonds (distance) P-C4' energy: -147.989
flat angles C4'-P-C4' energy: -162.537
flat angles P-C4'-P energy: -113.886
tors. eta vs tors. theta energy: -203.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2323.082245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.082245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.082245 (E_RNA)
where:
Base-Base interactions energy: -1606.143
where: short stacking energy: -683.394
Base-Backbone interact. energy: -1.242
local terms energy: -715.697344
where:
bonds (distance) C4'-P energy: -120.466
bonds (distance) P-C4' energy: -130.230
flat angles C4'-P-C4' energy: -168.795
flat angles P-C4'-P energy: -101.849
tors. eta vs tors. theta energy: -194.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2192.778626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.778626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.778626 (E_RNA)
where:
Base-Base interactions energy: -1521.391
where: short stacking energy: -643.966
Base-Backbone interact. energy: 0.897
local terms energy: -672.284644
where:
bonds (distance) C4'-P energy: -142.840
bonds (distance) P-C4' energy: -135.255
flat angles C4'-P-C4' energy: -138.043
flat angles P-C4'-P energy: -75.654
tors. eta vs tors. theta energy: -180.492
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: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2109.417359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.417359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.417359 (E_RNA)
where:
Base-Base interactions energy: -1429.007
where: short stacking energy: -621.086
Base-Backbone interact. energy: -0.900
local terms energy: -679.510052
where:
bonds (distance) C4'-P energy: -130.403
bonds (distance) P-C4' energy: -131.366
flat angles C4'-P-C4' energy: -142.049
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -180.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2014.618146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.618146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.618146 (E_RNA)
where:
Base-Base interactions energy: -1389.653
where: short stacking energy: -597.965
Base-Backbone interact. energy: -1.172
local terms energy: -623.793559
where:
bonds (distance) C4'-P energy: -122.473
bonds (distance) P-C4' energy: -125.755
flat angles C4'-P-C4' energy: -140.333
flat angles P-C4'-P energy: -80.327
tors. eta vs tors. theta energy: -154.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1785.328112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.328112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.328112 (E_RNA)
where:
Base-Base interactions energy: -1194.466
where: short stacking energy: -505.274
Base-Backbone interact. energy: 4.586
local terms energy: -595.447755
where:
bonds (distance) C4'-P energy: -131.308
bonds (distance) P-C4' energy: -113.901
flat angles C4'-P-C4' energy: -142.835
flat angles P-C4'-P energy: -87.348
tors. eta vs tors. theta energy: -120.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1608.535325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.535325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.535325 (E_RNA)
where:
Base-Base interactions energy: -1043.465
where: short stacking energy: -488.854
Base-Backbone interact. energy: -3.022
local terms energy: -562.047996
where:
bonds (distance) C4'-P energy: -118.741
bonds (distance) P-C4' energy: -107.912
flat angles C4'-P-C4' energy: -134.071
flat angles P-C4'-P energy: -85.325
tors. eta vs tors. theta energy: -115.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1164.497812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.497812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.497812 (E_RNA)
where:
Base-Base interactions energy: -693.755
where: short stacking energy: -360.275
Base-Backbone interact. energy: -2.001
local terms energy: -468.741747
where:
bonds (distance) C4'-P energy: -109.107
bonds (distance) P-C4' energy: -127.848
flat angles C4'-P-C4' energy: -108.099
flat angles P-C4'-P energy: -64.687
tors. eta vs tors. theta energy: -58.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -851.287723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.287723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.287723 (E_RNA)
where:
Base-Base interactions energy: -403.778
where: short stacking energy: -241.524
Base-Backbone interact. energy: -3.317
local terms energy: -444.192174
where:
bonds (distance) C4'-P energy: -102.053
bonds (distance) P-C4' energy: -130.012
flat angles C4'-P-C4' energy: -124.869
flat angles P-C4'-P energy: -60.118
tors. eta vs tors. theta energy: -27.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -664.142248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.142248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.142248 (E_RNA)
where:
Base-Base interactions energy: -303.551
where: short stacking energy: -212.369
Base-Backbone interact. energy: 2.420
local terms energy: -363.010964
where:
bonds (distance) C4'-P energy: -100.520
bonds (distance) P-C4' energy: -115.381
flat angles C4'-P-C4' energy: -90.616
flat angles P-C4'-P energy: -60.759
tors. eta vs tors. theta energy: 4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2401.678824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.678824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.678824 (E_RNA)
where:
Base-Base interactions energy: -1615.080
where: short stacking energy: -710.681
Base-Backbone interact. energy: -3.157
local terms energy: -783.441604
where:
bonds (distance) C4'-P energy: -150.842
bonds (distance) P-C4' energy: -149.205
flat angles C4'-P-C4' energy: -163.840
flat angles P-C4'-P energy: -106.776
tors. eta vs tors. theta energy: -212.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2343.671027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.671027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.671027 (E_RNA)
where:
Base-Base interactions energy: -1633.748
where: short stacking energy: -684.013
Base-Backbone interact. energy: -3.331
local terms energy: -706.592166
where:
bonds (distance) C4'-P energy: -122.423
bonds (distance) P-C4' energy: -139.211
flat angles C4'-P-C4' energy: -157.288
flat angles P-C4'-P energy: -99.245
tors. eta vs tors. theta energy: -188.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2216.731341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.731341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.731341 (E_RNA)
where:
Base-Base interactions energy: -1509.919
where: short stacking energy: -649.745
Base-Backbone interact. energy: -1.899
local terms energy: -704.912913
where:
bonds (distance) C4'-P energy: -142.108
bonds (distance) P-C4' energy: -141.828
flat angles C4'-P-C4' energy: -143.797
flat angles P-C4'-P energy: -101.449
tors. eta vs tors. theta energy: -175.731
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: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2058.260424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.260424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.260424 (E_RNA)
where:
Base-Base interactions energy: -1385.165
where: short stacking energy: -625.508
Base-Backbone interact. energy: 0.072
local terms energy: -673.167367
where:
bonds (distance) C4'-P energy: -134.063
bonds (distance) P-C4' energy: -122.209
flat angles C4'-P-C4' energy: -141.063
flat angles P-C4'-P energy: -90.376
tors. eta vs tors. theta energy: -185.457
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1988.147389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.147389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.147389 (E_RNA)
where:
Base-Base interactions energy: -1341.221
where: short stacking energy: -577.707
Base-Backbone interact. energy: -2.623
local terms energy: -644.303477
where:
bonds (distance) C4'-P energy: -109.965
bonds (distance) P-C4' energy: -130.771
flat angles C4'-P-C4' energy: -151.605
flat angles P-C4'-P energy: -96.246
tors. eta vs tors. theta energy: -155.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1744.525332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.525332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.525332 (E_RNA)
where:
Base-Base interactions energy: -1174.617
where: short stacking energy: -522.894
Base-Backbone interact. energy: -1.256
local terms energy: -568.652263
where:
bonds (distance) C4'-P energy: -110.455
bonds (distance) P-C4' energy: -125.464
flat angles C4'-P-C4' energy: -131.595
flat angles P-C4'-P energy: -79.727
tors. eta vs tors. theta energy: -121.411
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: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1659.764650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.764650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.764650 (E_RNA)
where:
Base-Base interactions energy: -1071.978
where: short stacking energy: -475.490
Base-Backbone interact. energy: -2.434
local terms energy: -585.352894
where:
bonds (distance) C4'-P energy: -107.703
bonds (distance) P-C4' energy: -125.847
flat angles C4'-P-C4' energy: -136.317
flat angles P-C4'-P energy: -90.666
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: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1181.297450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.297450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.297450 (E_RNA)
where:
Base-Base interactions energy: -722.640
where: short stacking energy: -367.745
Base-Backbone interact. energy: 0.621
local terms energy: -459.278359
where:
bonds (distance) C4'-P energy: -112.963
bonds (distance) P-C4' energy: -101.525
flat angles C4'-P-C4' energy: -118.544
flat angles P-C4'-P energy: -72.948
tors. eta vs tors. theta energy: -53.299
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -867.531098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.531098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.531098 (E_RNA)
where:
Base-Base interactions energy: -429.853
where: short stacking energy: -238.611
Base-Backbone interact. energy: -0.212
local terms energy: -437.465781
where:
bonds (distance) C4'-P energy: -112.063
bonds (distance) P-C4' energy: -124.704
flat angles C4'-P-C4' energy: -106.250
flat angles P-C4'-P energy: -74.321
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -721.554354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.554354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.554354 (E_RNA)
where:
Base-Base interactions energy: -366.109
where: short stacking energy: -244.560
Base-Backbone interact. energy: 0.269
local terms energy: -355.713680
where:
bonds (distance) C4'-P energy: -104.239
bonds (distance) P-C4' energy: -111.677
flat angles C4'-P-C4' energy: -98.031
flat angles P-C4'-P energy: -36.682
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: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2396.874801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.874801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.874801 (E_RNA)
where:
Base-Base interactions energy: -1622.026
where: short stacking energy: -745.116
Base-Backbone interact. energy: -2.622
local terms energy: -772.226939
where:
bonds (distance) C4'-P energy: -145.271
bonds (distance) P-C4' energy: -149.918
flat angles C4'-P-C4' energy: -162.723
flat angles P-C4'-P energy: -112.174
tors. eta vs tors. theta energy: -202.141
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: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2390.343384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.343384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.343384 (E_RNA)
where:
Base-Base interactions energy: -1650.239
where: short stacking energy: -691.125
Base-Backbone interact. energy: -2.768
local terms energy: -737.335845
where:
bonds (distance) C4'-P energy: -124.829
bonds (distance) P-C4' energy: -135.851
flat angles C4'-P-C4' energy: -168.403
flat angles P-C4'-P energy: -99.022
tors. eta vs tors. theta energy: -209.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2233.753556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.753556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.753556 (E_RNA)
where:
Base-Base interactions energy: -1524.444
where: short stacking energy: -656.423
Base-Backbone interact. energy: -4.221
local terms energy: -705.088182
where:
bonds (distance) C4'-P energy: -131.459
bonds (distance) P-C4' energy: -135.803
flat angles C4'-P-C4' energy: -164.745
flat angles P-C4'-P energy: -92.845
tors. eta vs tors. theta energy: -180.237
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: 106
Temperature: 1.050000
Total energy: -2029.815233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.815233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.815233 (E_RNA)
where:
Base-Base interactions energy: -1348.627
where: short stacking energy: -599.747
Base-Backbone interact. energy: -1.771
local terms energy: -679.417635
where:
bonds (distance) C4'-P energy: -122.065
bonds (distance) P-C4' energy: -137.080
flat angles C4'-P-C4' energy: -145.551
flat angles P-C4'-P energy: -102.839
tors. eta vs tors. theta energy: -171.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1942.199406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.199406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.199406 (E_RNA)
where:
Base-Base interactions energy: -1310.701
where: short stacking energy: -586.835
Base-Backbone interact. energy: -3.999
local terms energy: -627.498639
where:
bonds (distance) C4'-P energy: -117.485
bonds (distance) P-C4' energy: -125.455
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -82.232
tors. eta vs tors. theta energy: -158.792
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: 106
Temperature: 1.150000
Total energy: -1747.531816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.531816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.531816 (E_RNA)
where:
Base-Base interactions energy: -1185.316
where: short stacking energy: -513.130
Base-Backbone interact. energy: -1.177
local terms energy: -561.038630
where:
bonds (distance) C4'-P energy: -125.650
bonds (distance) P-C4' energy: -100.545
flat angles C4'-P-C4' energy: -133.956
flat angles P-C4'-P energy: -83.761
tors. eta vs tors. theta energy: -117.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1681.589655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.589655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.589655 (E_RNA)
where:
Base-Base interactions energy: -1108.584
where: short stacking energy: -478.097
Base-Backbone interact. energy: -1.403
local terms energy: -571.602195
where:
bonds (distance) C4'-P energy: -114.531
bonds (distance) P-C4' energy: -121.653
flat angles C4'-P-C4' energy: -132.675
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -121.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1185.950844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.950844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.950844 (E_RNA)
where:
Base-Base interactions energy: -694.770
where: short stacking energy: -353.862
Base-Backbone interact. energy: 0.679
local terms energy: -491.859536
where:
bonds (distance) C4'-P energy: -109.925
bonds (distance) P-C4' energy: -114.673
flat angles C4'-P-C4' energy: -124.835
flat angles P-C4'-P energy: -78.281
tors. eta vs tors. theta energy: -64.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -885.241640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.241640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.241640 (E_RNA)
where:
Base-Base interactions energy: -460.479
where: short stacking energy: -245.789
Base-Backbone interact. energy: -2.477
local terms energy: -422.286266
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -112.949
flat angles C4'-P-C4' energy: -125.032
flat angles P-C4'-P energy: -74.571
tors. eta vs tors. theta energy: -0.483
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: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -743.252121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.252121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.252121 (E_RNA)
where:
Base-Base interactions energy: -344.785
where: short stacking energy: -225.324
Base-Backbone interact. energy: 3.222
local terms energy: -401.689008
where:
bonds (distance) C4'-P energy: -100.174
bonds (distance) P-C4' energy: -136.385
flat angles C4'-P-C4' energy: -86.332
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2382.620360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.620360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.620360 (E_RNA)
where:
Base-Base interactions energy: -1606.023
where: short stacking energy: -723.489
Base-Backbone interact. energy: -3.340
local terms energy: -773.257632
where:
bonds (distance) C4'-P energy: -157.347
bonds (distance) P-C4' energy: -152.196
flat angles C4'-P-C4' energy: -160.721
flat angles P-C4'-P energy: -107.066
tors. eta vs tors. theta energy: -195.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2356.029011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.029011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.029011 (E_RNA)
where:
Base-Base interactions energy: -1625.074
where: short stacking energy: -680.065
Base-Backbone interact. energy: 1.160
local terms energy: -732.115208
where:
bonds (distance) C4'-P energy: -133.568
bonds (distance) P-C4' energy: -147.975
flat angles C4'-P-C4' energy: -161.591
flat angles P-C4'-P energy: -93.553
tors. eta vs tors. theta energy: -195.427
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2225.267740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.267740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.267740 (E_RNA)
where:
Base-Base interactions energy: -1532.837
where: short stacking energy: -653.762
Base-Backbone interact. energy: -1.126
local terms energy: -691.305226
where:
bonds (distance) C4'-P energy: -144.570
bonds (distance) P-C4' energy: -126.284
flat angles C4'-P-C4' energy: -142.779
flat angles P-C4'-P energy: -99.581
tors. eta vs tors. theta energy: -178.091
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: 107
Temperature: 1.050000
Total energy: -2115.290523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.290523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.290523 (E_RNA)
where:
Base-Base interactions energy: -1389.340
where: short stacking energy: -612.014
Base-Backbone interact. energy: 0.451
local terms energy: -726.401260
where:
bonds (distance) C4'-P energy: -130.976
bonds (distance) P-C4' energy: -155.501
flat angles C4'-P-C4' energy: -150.244
flat angles P-C4'-P energy: -105.035
tors. eta vs tors. theta energy: -184.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1931.783869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.783869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.783869 (E_RNA)
where:
Base-Base interactions energy: -1282.641
where: short stacking energy: -604.772
Base-Backbone interact. energy: -3.506
local terms energy: -645.636439
where:
bonds (distance) C4'-P energy: -121.173
bonds (distance) P-C4' energy: -120.084
flat angles C4'-P-C4' energy: -144.135
flat angles P-C4'-P energy: -80.249
tors. eta vs tors. theta energy: -179.995
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: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1745.885974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.885974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.885974 (E_RNA)
where:
Base-Base interactions energy: -1165.376
where: short stacking energy: -510.127
Base-Backbone interact. energy: -2.837
local terms energy: -577.672604
where:
bonds (distance) C4'-P energy: -121.748
bonds (distance) P-C4' energy: -105.757
flat angles C4'-P-C4' energy: -137.184
flat angles P-C4'-P energy: -89.963
tors. eta vs tors. theta energy: -123.021
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: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1662.133483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.133483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.133483 (E_RNA)
where:
Base-Base interactions energy: -1081.212
where: short stacking energy: -497.568
Base-Backbone interact. energy: -0.602
local terms energy: -580.319661
where:
bonds (distance) C4'-P energy: -117.531
bonds (distance) P-C4' energy: -118.851
flat angles C4'-P-C4' energy: -126.598
flat angles P-C4'-P energy: -92.371
tors. eta vs tors. theta energy: -124.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1164.171169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.171169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.171169 (E_RNA)
where:
Base-Base interactions energy: -693.528
where: short stacking energy: -322.733
Base-Backbone interact. energy: 4.162
local terms energy: -474.804970
where:
bonds (distance) C4'-P energy: -113.786
bonds (distance) P-C4' energy: -135.342
flat angles C4'-P-C4' energy: -99.028
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -49.170
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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -884.484563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.484563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.484563 (E_RNA)
where:
Base-Base interactions energy: -428.501
where: short stacking energy: -230.924
Base-Backbone interact. energy: 5.528
local terms energy: -461.512024
where:
bonds (distance) C4'-P energy: -124.826
bonds (distance) P-C4' energy: -127.952
flat angles C4'-P-C4' energy: -129.828
flat angles P-C4'-P energy: -68.865
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -702.779235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.779235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.779235 (E_RNA)
where:
Base-Base interactions energy: -328.633
where: short stacking energy: -212.271
Base-Backbone interact. energy: 3.383
local terms energy: -377.529913
where:
bonds (distance) C4'-P energy: -104.151
bonds (distance) P-C4' energy: -127.247
flat angles C4'-P-C4' energy: -106.601
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: 23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2390.763172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.763172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.763172 (E_RNA)
where:
Base-Base interactions energy: -1642.473
where: short stacking energy: -699.934
Base-Backbone interact. energy: -5.138
local terms energy: -743.152245
where:
bonds (distance) C4'-P energy: -143.057
bonds (distance) P-C4' energy: -140.879
flat angles C4'-P-C4' energy: -157.840
flat angles P-C4'-P energy: -92.617
tors. eta vs tors. theta energy: -208.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2371.872720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.872720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.872720 (E_RNA)
where:
Base-Base interactions energy: -1603.735
where: short stacking energy: -704.916
Base-Backbone interact. energy: -4.237
local terms energy: -763.900897
where:
bonds (distance) C4'-P energy: -157.833
bonds (distance) P-C4' energy: -138.220
flat angles C4'-P-C4' energy: -152.954
flat angles P-C4'-P energy: -105.581
tors. eta vs tors. theta energy: -209.314
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: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2173.723004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.723004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.723004 (E_RNA)
where:
Base-Base interactions energy: -1458.036
where: short stacking energy: -615.884
Base-Backbone interact. energy: -2.913
local terms energy: -712.774103
where:
bonds (distance) C4'-P energy: -142.992
bonds (distance) P-C4' energy: -143.774
flat angles C4'-P-C4' energy: -154.546
flat angles P-C4'-P energy: -95.071
tors. eta vs tors. theta energy: -176.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2108.891592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.891592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.891592 (E_RNA)
where:
Base-Base interactions energy: -1419.042
where: short stacking energy: -636.889
Base-Backbone interact. energy: 4.817
local terms energy: -694.666213
where:
bonds (distance) C4'-P energy: -123.521
bonds (distance) P-C4' energy: -145.278
flat angles C4'-P-C4' energy: -149.267
flat angles P-C4'-P energy: -100.864
tors. eta vs tors. theta energy: -175.736
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1968.134024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.134024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.134024 (E_RNA)
where:
Base-Base interactions energy: -1310.414
where: short stacking energy: -609.704
Base-Backbone interact. energy: -0.296
local terms energy: -657.424188
where:
bonds (distance) C4'-P energy: -118.416
bonds (distance) P-C4' energy: -137.263
flat angles C4'-P-C4' energy: -148.397
flat angles P-C4'-P energy: -88.341
tors. eta vs tors. theta energy: -165.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1759.700948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.700948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.700948 (E_RNA)
where:
Base-Base interactions energy: -1186.733
where: short stacking energy: -524.493
Base-Backbone interact. energy: 2.709
local terms energy: -575.676749
where:
bonds (distance) C4'-P energy: -116.062
bonds (distance) P-C4' energy: -117.736
flat angles C4'-P-C4' energy: -132.694
flat angles P-C4'-P energy: -84.625
tors. eta vs tors. theta energy: -124.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1714.908869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.908869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.908869 (E_RNA)
where:
Base-Base interactions energy: -1111.443
where: short stacking energy: -524.096
Base-Backbone interact. energy: -0.966
local terms energy: -602.500183
where:
bonds (distance) C4'-P energy: -125.552
bonds (distance) P-C4' energy: -117.492
flat angles C4'-P-C4' energy: -119.983
flat angles P-C4'-P energy: -101.755
tors. eta vs tors. theta energy: -137.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1125.080251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.080251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.080251 (E_RNA)
where:
Base-Base interactions energy: -658.496
where: short stacking energy: -334.065
Base-Backbone interact. energy: 2.264
local terms energy: -468.848506
where:
bonds (distance) C4'-P energy: -118.072
bonds (distance) P-C4' energy: -115.988
flat angles C4'-P-C4' energy: -110.119
flat angles P-C4'-P energy: -78.289
tors. eta vs tors. theta energy: -46.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -785.760096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.760096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.760096 (E_RNA)
where:
Base-Base interactions energy: -369.312
where: short stacking energy: -218.204
Base-Backbone interact. energy: 1.182
local terms energy: -417.630600
where:
bonds (distance) C4'-P energy: -114.844
bonds (distance) P-C4' energy: -114.704
flat angles C4'-P-C4' energy: -103.921
flat angles P-C4'-P energy: -71.620
tors. eta vs tors. theta energy: -12.541
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -751.399777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.399777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.399777 (E_RNA)
where:
Base-Base interactions energy: -386.291
where: short stacking energy: -240.961
Base-Backbone interact. energy: 1.069
local terms energy: -366.177374
where:
bonds (distance) C4'-P energy: -103.217
bonds (distance) P-C4' energy: -119.195
flat angles C4'-P-C4' energy: -83.569
flat angles P-C4'-P energy: -56.453
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2411.719193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.719193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.719193 (E_RNA)
where:
Base-Base interactions energy: -1638.810
where: short stacking energy: -687.607
Base-Backbone interact. energy: -4.438
local terms energy: -768.471360
where:
bonds (distance) C4'-P energy: -139.197
bonds (distance) P-C4' energy: -152.327
flat angles C4'-P-C4' energy: -160.507
flat angles P-C4'-P energy: -106.441
tors. eta vs tors. theta energy: -210.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2347.803778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.803778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.803778 (E_RNA)
where:
Base-Base interactions energy: -1594.173
where: short stacking energy: -689.563
Base-Backbone interact. energy: -3.885
local terms energy: -749.745279
where:
bonds (distance) C4'-P energy: -146.967
bonds (distance) P-C4' energy: -135.091
flat angles C4'-P-C4' energy: -157.042
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -208.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2164.006870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.006870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.006870 (E_RNA)
where:
Base-Base interactions energy: -1497.442
where: short stacking energy: -640.382
Base-Backbone interact. energy: 3.733
local terms energy: -670.298085
where:
bonds (distance) C4'-P energy: -112.996
bonds (distance) P-C4' energy: -134.460
flat angles C4'-P-C4' energy: -149.735
flat angles P-C4'-P energy: -102.405
tors. eta vs tors. theta energy: -170.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2137.536142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.536142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.536142 (E_RNA)
where:
Base-Base interactions energy: -1436.676
where: short stacking energy: -638.959
Base-Backbone interact. energy: -2.522
local terms energy: -698.337849
where:
bonds (distance) C4'-P energy: -126.424
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -153.036
flat angles P-C4'-P energy: -102.569
tors. eta vs tors. theta energy: -190.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1955.772559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.772559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.772559 (E_RNA)
where:
Base-Base interactions energy: -1298.259
where: short stacking energy: -602.443
Base-Backbone interact. energy: -2.637
local terms energy: -654.876769
where:
bonds (distance) C4'-P energy: -112.125
bonds (distance) P-C4' energy: -129.344
flat angles C4'-P-C4' energy: -142.775
flat angles P-C4'-P energy: -101.706
tors. eta vs tors. theta energy: -168.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1741.527884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.527884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.527884 (E_RNA)
where:
Base-Base interactions energy: -1165.277
where: short stacking energy: -512.864
Base-Backbone interact. energy: -0.524
local terms energy: -575.727493
where:
bonds (distance) C4'-P energy: -128.373
bonds (distance) P-C4' energy: -129.443
flat angles C4'-P-C4' energy: -132.137
flat angles P-C4'-P energy: -74.417
tors. eta vs tors. theta energy: -111.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1687.482343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.482343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.482343 (E_RNA)
where:
Base-Base interactions energy: -1134.464
where: short stacking energy: -489.543
Base-Backbone interact. energy: -2.898
local terms energy: -550.120350
where:
bonds (distance) C4'-P energy: -121.479
bonds (distance) P-C4' energy: -113.471
flat angles C4'-P-C4' energy: -108.918
flat angles P-C4'-P energy: -80.270
tors. eta vs tors. theta energy: -125.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1046.219709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.219709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.219709 (E_RNA)
where:
Base-Base interactions energy: -599.576
where: short stacking energy: -322.019
Base-Backbone interact. energy: -1.247
local terms energy: -445.397335
where:
bonds (distance) C4'-P energy: -101.281
bonds (distance) P-C4' energy: -119.585
flat angles C4'-P-C4' energy: -115.340
flat angles P-C4'-P energy: -63.966
tors. eta vs tors. theta energy: -45.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -763.158673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.158673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.158673 (E_RNA)
where:
Base-Base interactions energy: -357.779
where: short stacking energy: -205.404
Base-Backbone interact. energy: -4.665
local terms energy: -400.714482
where:
bonds (distance) C4'-P energy: -127.930
bonds (distance) P-C4' energy: -123.160
flat angles C4'-P-C4' energy: -96.608
flat angles P-C4'-P energy: -55.789
tors. eta vs tors. theta energy: 2.773
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: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -711.413315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.413315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.413315 (E_RNA)
where:
Base-Base interactions energy: -360.040
where: short stacking energy: -225.590
Base-Backbone interact. energy: 2.301
local terms energy: -353.674072
where:
bonds (distance) C4'-P energy: -96.123
bonds (distance) P-C4' energy: -109.112
flat angles C4'-P-C4' energy: -100.307
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: 9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2437.399424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.399424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.399424 (E_RNA)
where:
Base-Base interactions energy: -1691.334
where: short stacking energy: -723.302
Base-Backbone interact. energy: -1.672
local terms energy: -744.393197
where:
bonds (distance) C4'-P energy: -146.452
bonds (distance) P-C4' energy: -155.340
flat angles C4'-P-C4' energy: -147.281
flat angles P-C4'-P energy: -91.825
tors. eta vs tors. theta energy: -203.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2363.374107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.374107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.374107 (E_RNA)
where:
Base-Base interactions energy: -1607.292
where: short stacking energy: -701.478
Base-Backbone interact. energy: -3.736
local terms energy: -752.345754
where:
bonds (distance) C4'-P energy: -127.410
bonds (distance) P-C4' energy: -140.928
flat angles C4'-P-C4' energy: -162.606
flat angles P-C4'-P energy: -107.617
tors. eta vs tors. theta energy: -213.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2194.877691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.877691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.877691 (E_RNA)
where:
Base-Base interactions energy: -1505.970
where: short stacking energy: -665.116
Base-Backbone interact. energy: -2.224
local terms energy: -686.683573
where:
bonds (distance) C4'-P energy: -114.111
bonds (distance) P-C4' energy: -139.697
flat angles C4'-P-C4' energy: -152.986
flat angles P-C4'-P energy: -97.500
tors. eta vs tors. theta energy: -182.389
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: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2100.468187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.468187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.468187 (E_RNA)
where:
Base-Base interactions energy: -1427.839
where: short stacking energy: -616.424
Base-Backbone interact. energy: -4.465
local terms energy: -668.164597
where:
bonds (distance) C4'-P energy: -126.924
bonds (distance) P-C4' energy: -123.363
flat angles C4'-P-C4' energy: -148.668
flat angles P-C4'-P energy: -96.497
tors. eta vs tors. theta energy: -172.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1970.047250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.047250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.047250 (E_RNA)
where:
Base-Base interactions energy: -1321.703
where: short stacking energy: -551.268
Base-Backbone interact. energy: -0.400
local terms energy: -647.943651
where:
bonds (distance) C4'-P energy: -139.269
bonds (distance) P-C4' energy: -132.265
flat angles C4'-P-C4' energy: -132.224
flat angles P-C4'-P energy: -102.965
tors. eta vs tors. theta energy: -141.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1744.402219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.402219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.402219 (E_RNA)
where:
Base-Base interactions energy: -1162.594
where: short stacking energy: -505.069
Base-Backbone interact. energy: 1.318
local terms energy: -583.126493
where:
bonds (distance) C4'-P energy: -112.764
bonds (distance) P-C4' energy: -138.625
flat angles C4'-P-C4' energy: -130.926
flat angles P-C4'-P energy: -82.322
tors. eta vs tors. theta energy: -118.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1697.375489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.375489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.375489 (E_RNA)
where:
Base-Base interactions energy: -1113.761
where: short stacking energy: -498.552
Base-Backbone interact. energy: 0.707
local terms energy: -584.321091
where:
bonds (distance) C4'-P energy: -122.838
bonds (distance) P-C4' energy: -122.379
flat angles C4'-P-C4' energy: -127.245
flat angles P-C4'-P energy: -85.357
tors. eta vs tors. theta energy: -126.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1124.880319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.880319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.880319 (E_RNA)
where:
Base-Base interactions energy: -663.125
where: short stacking energy: -306.790
Base-Backbone interact. energy: 3.952
local terms energy: -465.707351
where:
bonds (distance) C4'-P energy: -134.935
bonds (distance) P-C4' energy: -113.904
flat angles C4'-P-C4' energy: -124.890
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -38.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -737.462082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.462082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.462082 (E_RNA)
where:
Base-Base interactions energy: -317.310
where: short stacking energy: -198.909
Base-Backbone interact. energy: -1.867
local terms energy: -418.284468
where:
bonds (distance) C4'-P energy: -129.236
bonds (distance) P-C4' energy: -128.907
flat angles C4'-P-C4' energy: -109.615
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -707.427978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.427978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.427978 (E_RNA)
where:
Base-Base interactions energy: -345.586
where: short stacking energy: -203.667
Base-Backbone interact. energy: 2.389
local terms energy: -364.231236
where:
bonds (distance) C4'-P energy: -113.543
bonds (distance) P-C4' energy: -132.326
flat angles C4'-P-C4' energy: -81.221
flat angles P-C4'-P energy: -46.844
tors. eta vs tors. theta energy: 9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2438.361193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.361193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.361193 (E_RNA)
where:
Base-Base interactions energy: -1713.455
where: short stacking energy: -743.292
Base-Backbone interact. energy: -4.771
local terms energy: -720.135624
where:
bonds (distance) C4'-P energy: -132.843
bonds (distance) P-C4' energy: -135.981
flat angles C4'-P-C4' energy: -151.263
flat angles P-C4'-P energy: -97.172
tors. eta vs tors. theta energy: -202.877
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: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2340.093007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.093007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.093007 (E_RNA)
where:
Base-Base interactions energy: -1606.788
where: short stacking energy: -712.154
Base-Backbone interact. energy: -0.828
local terms energy: -732.477493
where:
bonds (distance) C4'-P energy: -131.970
bonds (distance) P-C4' energy: -131.200
flat angles C4'-P-C4' energy: -153.599
flat angles P-C4'-P energy: -109.987
tors. eta vs tors. theta energy: -205.723
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: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2185.049731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.049731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.049731 (E_RNA)
where:
Base-Base interactions energy: -1440.636
where: short stacking energy: -647.714
Base-Backbone interact. energy: -6.481
local terms energy: -737.933132
where:
bonds (distance) C4'-P energy: -142.215
bonds (distance) P-C4' energy: -134.640
flat angles C4'-P-C4' energy: -165.851
flat angles P-C4'-P energy: -104.020
tors. eta vs tors. theta energy: -191.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2071.827739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.827739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.827739 (E_RNA)
where:
Base-Base interactions energy: -1413.446
where: short stacking energy: -594.170
Base-Backbone interact. energy: -1.850
local terms energy: -656.531958
where:
bonds (distance) C4'-P energy: -115.036
bonds (distance) P-C4' energy: -134.736
flat angles C4'-P-C4' energy: -149.760
flat angles P-C4'-P energy: -91.807
tors. eta vs tors. theta energy: -165.194
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: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2056.077729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.077729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.077729 (E_RNA)
where:
Base-Base interactions energy: -1420.737
where: short stacking energy: -641.195
Base-Backbone interact. energy: -3.480
local terms energy: -631.860499
where:
bonds (distance) C4'-P energy: -110.927
bonds (distance) P-C4' energy: -125.632
flat angles C4'-P-C4' energy: -146.268
flat angles P-C4'-P energy: -67.136
tors. eta vs tors. theta energy: -181.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1800.446925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.446925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.446925 (E_RNA)
where:
Base-Base interactions energy: -1170.320
where: short stacking energy: -547.361
Base-Backbone interact. energy: 1.528
local terms energy: -631.654917
where:
bonds (distance) C4'-P energy: -115.886
bonds (distance) P-C4' energy: -135.243
flat angles C4'-P-C4' energy: -142.823
flat angles P-C4'-P energy: -102.838
tors. eta vs tors. theta energy: -134.865
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: 111
Temperature: 1.200000
Total energy: -1617.465385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.465385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.465385 (E_RNA)
where:
Base-Base interactions energy: -1072.172
where: short stacking energy: -459.126
Base-Backbone interact. energy: -3.702
local terms energy: -541.591602
where:
bonds (distance) C4'-P energy: -112.566
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -131.787
flat angles P-C4'-P energy: -72.803
tors. eta vs tors. theta energy: -107.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1084.047238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.047238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.047238 (E_RNA)
where:
Base-Base interactions energy: -642.662
where: short stacking energy: -316.842
Base-Backbone interact. energy: 6.063
local terms energy: -447.448668
where:
bonds (distance) C4'-P energy: -113.809
bonds (distance) P-C4' energy: -99.746
flat angles C4'-P-C4' energy: -117.455
flat angles P-C4'-P energy: -80.124
tors. eta vs tors. theta energy: -36.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -777.541805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.541805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.541805 (E_RNA)
where:
Base-Base interactions energy: -364.186
where: short stacking energy: -229.578
Base-Backbone interact. energy: -2.005
local terms energy: -411.350299
where:
bonds (distance) C4'-P energy: -116.205
bonds (distance) P-C4' energy: -130.685
flat angles C4'-P-C4' energy: -109.126
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -746.192193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.192193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.192193 (E_RNA)
where:
Base-Base interactions energy: -359.151
where: short stacking energy: -233.453
Base-Backbone interact. energy: 3.433
local terms energy: -390.473598
where:
bonds (distance) C4'-P energy: -105.279
bonds (distance) P-C4' energy: -124.973
flat angles C4'-P-C4' energy: -76.403
flat angles P-C4'-P energy: -68.422
tors. eta vs tors. theta energy: -15.396
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: 112
Temperature: 0.900000
Total energy: -2413.874974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.874974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.874974 (E_RNA)
where:
Base-Base interactions energy: -1704.009
where: short stacking energy: -712.229
Base-Backbone interact. energy: -1.312
local terms energy: -708.554870
where:
bonds (distance) C4'-P energy: -126.766
bonds (distance) P-C4' energy: -132.045
flat angles C4'-P-C4' energy: -137.780
flat angles P-C4'-P energy: -103.929
tors. eta vs tors. theta energy: -208.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2353.180141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.180141 (E_RNA)
where:
Base-Base interactions energy: -1591.067
where: short stacking energy: -735.322
Base-Backbone interact. energy: -3.767
local terms energy: -758.346416
where:
bonds (distance) C4'-P energy: -139.539
bonds (distance) P-C4' energy: -136.397
flat angles C4'-P-C4' energy: -159.825
flat angles P-C4'-P energy: -108.252
tors. eta vs tors. theta energy: -214.333
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: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2186.913587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.913587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.913587 (E_RNA)
where:
Base-Base interactions energy: -1480.285
where: short stacking energy: -667.269
Base-Backbone interact. energy: -2.809
local terms energy: -703.819570
where:
bonds (distance) C4'-P energy: -142.407
bonds (distance) P-C4' energy: -129.017
flat angles C4'-P-C4' energy: -156.608
flat angles P-C4'-P energy: -97.989
tors. eta vs tors. theta energy: -177.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2077.131451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.131451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.131451 (E_RNA)
where:
Base-Base interactions energy: -1404.251
where: short stacking energy: -607.325
Base-Backbone interact. energy: 1.361
local terms energy: -674.241085
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -134.176
flat angles C4'-P-C4' energy: -148.068
flat angles P-C4'-P energy: -94.495
tors. eta vs tors. theta energy: -172.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2062.065854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.065854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.065854 (E_RNA)
where:
Base-Base interactions energy: -1399.521
where: short stacking energy: -612.751
Base-Backbone interact. energy: -0.488
local terms energy: -662.057181
where:
bonds (distance) C4'-P energy: -104.783
bonds (distance) P-C4' energy: -129.994
flat angles C4'-P-C4' energy: -155.951
flat angles P-C4'-P energy: -89.142
tors. eta vs tors. theta energy: -182.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1804.848147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.848147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.848147 (E_RNA)
where:
Base-Base interactions energy: -1201.724
where: short stacking energy: -561.963
Base-Backbone interact. energy: -1.463
local terms energy: -601.661243
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -121.543
flat angles C4'-P-C4' energy: -141.712
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -141.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1643.187633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.187633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.187633 (E_RNA)
where:
Base-Base interactions energy: -1116.047
where: short stacking energy: -487.535
Base-Backbone interact. energy: -2.050
local terms energy: -525.090615
where:
bonds (distance) C4'-P energy: -88.415
bonds (distance) P-C4' energy: -118.789
flat angles C4'-P-C4' energy: -113.262
flat angles P-C4'-P energy: -84.691
tors. eta vs tors. theta energy: -119.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1107.256244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.256244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.256244 (E_RNA)
where:
Base-Base interactions energy: -649.103
where: short stacking energy: -336.944
Base-Backbone interact. energy: -0.364
local terms energy: -457.788547
where:
bonds (distance) C4'-P energy: -112.716
bonds (distance) P-C4' energy: -118.257
flat angles C4'-P-C4' energy: -102.802
flat angles P-C4'-P energy: -59.007
tors. eta vs tors. theta energy: -65.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -777.535227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.535227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.535227 (E_RNA)
where:
Base-Base interactions energy: -349.569
where: short stacking energy: -211.504
Base-Backbone interact. energy: -0.945
local terms energy: -427.021288
where:
bonds (distance) C4'-P energy: -112.916
bonds (distance) P-C4' energy: -122.592
flat angles C4'-P-C4' energy: -101.670
flat angles P-C4'-P energy: -74.420
tors. eta vs tors. theta energy: -15.423
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: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -743.199882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.199882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.199882 (E_RNA)
where:
Base-Base interactions energy: -343.247
where: short stacking energy: -203.897
Base-Backbone interact. energy: 1.122
local terms energy: -401.074738
where:
bonds (distance) C4'-P energy: -111.785
bonds (distance) P-C4' energy: -115.535
flat angles C4'-P-C4' energy: -100.603
flat angles P-C4'-P energy: -68.489
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2420.086828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.086828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.086828 (E_RNA)
where:
Base-Base interactions energy: -1693.416
where: short stacking energy: -703.268
Base-Backbone interact. energy: -2.148
local terms energy: -724.522623
where:
bonds (distance) C4'-P energy: -148.619
bonds (distance) P-C4' energy: -132.238
flat angles C4'-P-C4' energy: -155.879
flat angles P-C4'-P energy: -91.353
tors. eta vs tors. theta energy: -196.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2342.396878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.396878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.396878 (E_RNA)
where:
Base-Base interactions energy: -1606.326
where: short stacking energy: -704.541
Base-Backbone interact. energy: -2.876
local terms energy: -733.194512
where:
bonds (distance) C4'-P energy: -146.624
bonds (distance) P-C4' energy: -120.003
flat angles C4'-P-C4' energy: -157.752
flat angles P-C4'-P energy: -109.980
tors. eta vs tors. theta energy: -198.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2203.620166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.620166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.620166 (E_RNA)
where:
Base-Base interactions energy: -1472.275
where: short stacking energy: -662.317
Base-Backbone interact. energy: -3.417
local terms energy: -727.927251
where:
bonds (distance) C4'-P energy: -133.302
bonds (distance) P-C4' energy: -144.604
flat angles C4'-P-C4' energy: -154.859
flat angles P-C4'-P energy: -112.294
tors. eta vs tors. theta energy: -182.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2038.684829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.684829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.684829 (E_RNA)
where:
Base-Base interactions energy: -1364.137
where: short stacking energy: -594.133
Base-Backbone interact. energy: -3.034
local terms energy: -671.513756
where:
bonds (distance) C4'-P energy: -137.138
bonds (distance) P-C4' energy: -134.763
flat angles C4'-P-C4' energy: -146.022
flat angles P-C4'-P energy: -95.233
tors. eta vs tors. theta energy: -158.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2050.681468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.681468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.681468 (E_RNA)
where:
Base-Base interactions energy: -1408.415
where: short stacking energy: -622.618
Base-Backbone interact. energy: -4.232
local terms energy: -638.034048
where:
bonds (distance) C4'-P energy: -128.692
bonds (distance) P-C4' energy: -119.160
flat angles C4'-P-C4' energy: -135.008
flat angles P-C4'-P energy: -83.457
tors. eta vs tors. theta energy: -171.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1777.291305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.291305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.291305 (E_RNA)
where:
Base-Base interactions energy: -1161.433
where: short stacking energy: -528.918
Base-Backbone interact. energy: -1.880
local terms energy: -613.977803
where:
bonds (distance) C4'-P energy: -114.623
bonds (distance) P-C4' energy: -143.750
flat angles C4'-P-C4' energy: -137.468
flat angles P-C4'-P energy: -82.494
tors. eta vs tors. theta energy: -135.643
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: 113
Temperature: 1.200000
Total energy: -1652.337108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.337108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.337108 (E_RNA)
where:
Base-Base interactions energy: -1093.220
where: short stacking energy: -461.112
Base-Backbone interact. energy: -2.517
local terms energy: -556.600509
where:
bonds (distance) C4'-P energy: -134.070
bonds (distance) P-C4' energy: -127.124
flat angles C4'-P-C4' energy: -121.179
flat angles P-C4'-P energy: -71.305
tors. eta vs tors. theta energy: -102.923
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: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1149.632170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.632170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.632170 (E_RNA)
where:
Base-Base interactions energy: -676.315
where: short stacking energy: -336.483
Base-Backbone interact. energy: -3.262
local terms energy: -470.054955
where:
bonds (distance) C4'-P energy: -125.929
bonds (distance) P-C4' energy: -115.712
flat angles C4'-P-C4' energy: -107.554
flat angles P-C4'-P energy: -71.177
tors. eta vs tors. theta energy: -49.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -793.572672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.572672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.572672 (E_RNA)
where:
Base-Base interactions energy: -380.136
where: short stacking energy: -225.947
Base-Backbone interact. energy: 1.373
local terms energy: -414.810151
where:
bonds (distance) C4'-P energy: -108.138
bonds (distance) P-C4' energy: -134.461
flat angles C4'-P-C4' energy: -108.656
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -726.494631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.494631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.494631 (E_RNA)
where:
Base-Base interactions energy: -350.266
where: short stacking energy: -201.825
Base-Backbone interact. energy: -1.304
local terms energy: -374.924203
where:
bonds (distance) C4'-P energy: -116.236
bonds (distance) P-C4' energy: -125.919
flat angles C4'-P-C4' energy: -99.764
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: 4.586
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: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2455.596235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.596235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.596235 (E_RNA)
where:
Base-Base interactions energy: -1690.931
where: short stacking energy: -696.522
Base-Backbone interact. energy: -3.882
local terms energy: -760.783987
where:
bonds (distance) C4'-P energy: -149.164
bonds (distance) P-C4' energy: -146.281
flat angles C4'-P-C4' energy: -153.995
flat angles P-C4'-P energy: -104.591
tors. eta vs tors. theta energy: -206.754
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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2334.391385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.391385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.391385 (E_RNA)
where:
Base-Base interactions energy: -1592.168
where: short stacking energy: -704.200
Base-Backbone interact. energy: -7.160
local terms energy: -735.063967
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -130.151
flat angles C4'-P-C4' energy: -165.637
flat angles P-C4'-P energy: -101.013
tors. eta vs tors. theta energy: -199.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2222.196140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.196140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.196140 (E_RNA)
where:
Base-Base interactions energy: -1504.351
where: short stacking energy: -668.425
Base-Backbone interact. energy: -1.807
local terms energy: -716.037791
where:
bonds (distance) C4'-P energy: -133.917
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -146.224
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -193.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2047.017701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.017701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.017701 (E_RNA)
where:
Base-Base interactions energy: -1399.159
where: short stacking energy: -614.613
Base-Backbone interact. energy: -1.217
local terms energy: -646.642240
where:
bonds (distance) C4'-P energy: -120.096
bonds (distance) P-C4' energy: -131.508
flat angles C4'-P-C4' energy: -142.180
flat angles P-C4'-P energy: -92.689
tors. eta vs tors. theta energy: -160.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2063.734007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.734007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.734007 (E_RNA)
where:
Base-Base interactions energy: -1387.459
where: short stacking energy: -614.015
Base-Backbone interact. energy: -0.320
local terms energy: -675.955316
where:
bonds (distance) C4'-P energy: -127.624
bonds (distance) P-C4' energy: -131.555
flat angles C4'-P-C4' energy: -144.456
flat angles P-C4'-P energy: -94.661
tors. eta vs tors. theta energy: -177.659
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: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1769.480727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.480727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.480727 (E_RNA)
where:
Base-Base interactions energy: -1174.105
where: short stacking energy: -550.410
Base-Backbone interact. energy: 4.000
local terms energy: -599.375925
where:
bonds (distance) C4'-P energy: -132.421
bonds (distance) P-C4' energy: -104.373
flat angles C4'-P-C4' energy: -126.909
flat angles P-C4'-P energy: -95.065
tors. eta vs tors. theta energy: -140.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1657.897080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.897080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.897080 (E_RNA)
where:
Base-Base interactions energy: -1124.728
where: short stacking energy: -468.875
Base-Backbone interact. energy: -0.367
local terms energy: -532.802244
where:
bonds (distance) C4'-P energy: -112.514
bonds (distance) P-C4' energy: -112.806
flat angles C4'-P-C4' energy: -126.140
flat angles P-C4'-P energy: -74.537
tors. eta vs tors. theta energy: -106.805
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: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1190.160075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.160075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.160075 (E_RNA)
where:
Base-Base interactions energy: -732.138
where: short stacking energy: -364.964
Base-Backbone interact. energy: -1.596
local terms energy: -456.426154
where:
bonds (distance) C4'-P energy: -108.525
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -109.082
flat angles P-C4'-P energy: -66.926
tors. eta vs tors. theta energy: -61.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -790.007875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.007875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.007875 (E_RNA)
where:
Base-Base interactions energy: -385.579
where: short stacking energy: -250.500
Base-Backbone interact. energy: 1.666
local terms energy: -406.095561
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -117.916
flat angles C4'-P-C4' energy: -100.023
flat angles P-C4'-P energy: -69.381
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -711.380036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.380036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.380036 (E_RNA)
where:
Base-Base interactions energy: -325.259
where: short stacking energy: -198.777
Base-Backbone interact. energy: 5.866
local terms energy: -391.987215
where:
bonds (distance) C4'-P energy: -104.140
bonds (distance) P-C4' energy: -128.471
flat angles C4'-P-C4' energy: -96.701
flat angles P-C4'-P energy: -70.377
tors. eta vs tors. theta energy: 7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2438.274521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.274521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.274521 (E_RNA)
where:
Base-Base interactions energy: -1683.159
where: short stacking energy: -705.254
Base-Backbone interact. energy: -3.756
local terms energy: -751.359453
where:
bonds (distance) C4'-P energy: -151.484
bonds (distance) P-C4' energy: -140.755
flat angles C4'-P-C4' energy: -154.179
flat angles P-C4'-P energy: -103.569
tors. eta vs tors. theta energy: -201.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2357.582113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.582113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.582113 (E_RNA)
where:
Base-Base interactions energy: -1614.478
where: short stacking energy: -707.478
Base-Backbone interact. energy: -2.812
local terms energy: -740.292166
where:
bonds (distance) C4'-P energy: -129.595
bonds (distance) P-C4' energy: -145.485
flat angles C4'-P-C4' energy: -154.973
flat angles P-C4'-P energy: -108.824
tors. eta vs tors. theta energy: -201.415
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: 115
Temperature: 1.000000
Total energy: -2219.221957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.221957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.221957 (E_RNA)
where:
Base-Base interactions energy: -1531.995
where: short stacking energy: -674.259
Base-Backbone interact. energy: -1.898
local terms energy: -685.329136
where:
bonds (distance) C4'-P energy: -124.557
bonds (distance) P-C4' energy: -130.010
flat angles C4'-P-C4' energy: -146.826
flat angles P-C4'-P energy: -97.590
tors. eta vs tors. theta energy: -186.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2124.660862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.660862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.660862 (E_RNA)
where:
Base-Base interactions energy: -1446.826
where: short stacking energy: -641.690
Base-Backbone interact. energy: -5.935
local terms energy: -671.899629
where:
bonds (distance) C4'-P energy: -131.030
bonds (distance) P-C4' energy: -115.684
flat angles C4'-P-C4' energy: -149.560
flat angles P-C4'-P energy: -92.022
tors. eta vs tors. theta energy: -183.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1988.144781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.144781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.144781 (E_RNA)
where:
Base-Base interactions energy: -1345.449
where: short stacking energy: -617.795
Base-Backbone interact. energy: -2.368
local terms energy: -640.328117
where:
bonds (distance) C4'-P energy: -120.668
bonds (distance) P-C4' energy: -131.273
flat angles C4'-P-C4' energy: -132.330
flat angles P-C4'-P energy: -83.852
tors. eta vs tors. theta energy: -172.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1756.486416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.486416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.486416 (E_RNA)
where:
Base-Base interactions energy: -1156.206
where: short stacking energy: -541.977
Base-Backbone interact. energy: -2.115
local terms energy: -598.165402
where:
bonds (distance) C4'-P energy: -118.120
bonds (distance) P-C4' energy: -124.010
flat angles C4'-P-C4' energy: -137.310
flat angles P-C4'-P energy: -87.827
tors. eta vs tors. theta energy: -130.899
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: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1714.231471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.231471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.231471 (E_RNA)
where:
Base-Base interactions energy: -1140.332
where: short stacking energy: -496.220
Base-Backbone interact. energy: 6.838
local terms energy: -580.737228
where:
bonds (distance) C4'-P energy: -106.439
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -133.412
flat angles P-C4'-P energy: -92.084
tors. eta vs tors. theta energy: -121.348
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: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1161.726844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.726844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.726844 (E_RNA)
where:
Base-Base interactions energy: -712.481
where: short stacking energy: -319.064
Base-Backbone interact. energy: -2.280
local terms energy: -446.965727
where:
bonds (distance) C4'-P energy: -119.225
bonds (distance) P-C4' energy: -125.026
flat angles C4'-P-C4' energy: -110.058
flat angles P-C4'-P energy: -53.727
tors. eta vs tors. theta energy: -38.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -776.129203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.129203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.129203 (E_RNA)
where:
Base-Base interactions energy: -347.711
where: short stacking energy: -226.406
Base-Backbone interact. energy: 0.688
local terms energy: -429.106609
where:
bonds (distance) C4'-P energy: -132.173
bonds (distance) P-C4' energy: -117.478
flat angles C4'-P-C4' energy: -104.766
flat angles P-C4'-P energy: -62.110
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -725.682091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.682091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.682091 (E_RNA)
where:
Base-Base interactions energy: -334.476
where: short stacking energy: -196.487
Base-Backbone interact. energy: 5.563
local terms energy: -396.769407
where:
bonds (distance) C4'-P energy: -103.634
bonds (distance) P-C4' energy: -122.134
flat angles C4'-P-C4' energy: -117.290
flat angles P-C4'-P energy: -54.241
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2405.725447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.725447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.725447 (E_RNA)
where:
Base-Base interactions energy: -1683.889
where: short stacking energy: -706.491
Base-Backbone interact. energy: -0.137
local terms energy: -721.700144
where:
bonds (distance) C4'-P energy: -143.579
bonds (distance) P-C4' energy: -135.681
flat angles C4'-P-C4' energy: -152.290
flat angles P-C4'-P energy: -96.209
tors. eta vs tors. theta energy: -193.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2365.511887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.511887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.511887 (E_RNA)
where:
Base-Base interactions energy: -1623.170
where: short stacking energy: -706.607
Base-Backbone interact. energy: -1.109
local terms energy: -741.233456
where:
bonds (distance) C4'-P energy: -126.619
bonds (distance) P-C4' energy: -137.074
flat angles C4'-P-C4' energy: -164.303
flat angles P-C4'-P energy: -101.872
tors. eta vs tors. theta energy: -211.366
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: 116
Temperature: 1.000000
Total energy: -2222.928936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.928936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.928936 (E_RNA)
where:
Base-Base interactions energy: -1502.066
where: short stacking energy: -641.060
Base-Backbone interact. energy: -2.445
local terms energy: -718.417722
where:
bonds (distance) C4'-P energy: -137.168
bonds (distance) P-C4' energy: -140.549
flat angles C4'-P-C4' energy: -156.836
flat angles P-C4'-P energy: -104.843
tors. eta vs tors. theta energy: -179.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2121.838188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.838188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.838188 (E_RNA)
where:
Base-Base interactions energy: -1403.548
where: short stacking energy: -633.608
Base-Backbone interact. energy: -2.287
local terms energy: -716.003513
where:
bonds (distance) C4'-P energy: -115.868
bonds (distance) P-C4' energy: -143.503
flat angles C4'-P-C4' energy: -152.083
flat angles P-C4'-P energy: -113.095
tors. eta vs tors. theta energy: -191.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1945.877540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.877540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.877540 (E_RNA)
where:
Base-Base interactions energy: -1311.404
where: short stacking energy: -562.183
Base-Backbone interact. energy: -0.647
local terms energy: -633.825896
where:
bonds (distance) C4'-P energy: -107.654
bonds (distance) P-C4' energy: -128.262
flat angles C4'-P-C4' energy: -152.655
flat angles P-C4'-P energy: -96.254
tors. eta vs tors. theta energy: -149.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1738.088476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.088476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.088476 (E_RNA)
where:
Base-Base interactions energy: -1150.319
where: short stacking energy: -507.185
Base-Backbone interact. energy: -1.311
local terms energy: -586.458442
where:
bonds (distance) C4'-P energy: -136.610
bonds (distance) P-C4' energy: -132.332
flat angles C4'-P-C4' energy: -113.787
flat angles P-C4'-P energy: -79.394
tors. eta vs tors. theta energy: -124.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1701.870756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.870756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.870756 (E_RNA)
where:
Base-Base interactions energy: -1155.779
where: short stacking energy: -501.541
Base-Backbone interact. energy: 6.199
local terms energy: -552.290909
where:
bonds (distance) C4'-P energy: -100.720
bonds (distance) P-C4' energy: -110.986
flat angles C4'-P-C4' energy: -122.990
flat angles P-C4'-P energy: -87.736
tors. eta vs tors. theta energy: -129.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1179.938299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.938299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.938299 (E_RNA)
where:
Base-Base interactions energy: -687.549
where: short stacking energy: -343.944
Base-Backbone interact. energy: -1.322
local terms energy: -491.067547
where:
bonds (distance) C4'-P energy: -113.446
bonds (distance) P-C4' energy: -118.347
flat angles C4'-P-C4' energy: -121.085
flat angles P-C4'-P energy: -74.709
tors. eta vs tors. theta energy: -63.481
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: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -804.148528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.148528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.148528 (E_RNA)
where:
Base-Base interactions energy: -395.700
where: short stacking energy: -241.563
Base-Backbone interact. energy: -1.099
local terms energy: -407.349550
where:
bonds (distance) C4'-P energy: -118.551
bonds (distance) P-C4' energy: -98.808
flat angles C4'-P-C4' energy: -113.872
flat angles P-C4'-P energy: -89.075
tors. eta vs tors. theta energy: 12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -673.194914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.194914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.194914 (E_RNA)
where:
Base-Base interactions energy: -290.291
where: short stacking energy: -179.775
Base-Backbone interact. energy: 4.855
local terms energy: -387.759150
where:
bonds (distance) C4'-P energy: -115.784
bonds (distance) P-C4' energy: -124.159
flat angles C4'-P-C4' energy: -101.699
flat angles P-C4'-P energy: -68.819
tors. eta vs tors. theta energy: 22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2431.055252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.055252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.055252 (E_RNA)
where:
Base-Base interactions energy: -1690.230
where: short stacking energy: -727.596
Base-Backbone interact. energy: -1.526
local terms energy: -739.298750
where:
bonds (distance) C4'-P energy: -140.144
bonds (distance) P-C4' energy: -144.371
flat angles C4'-P-C4' energy: -165.746
flat angles P-C4'-P energy: -86.766
tors. eta vs tors. theta energy: -202.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2338.816779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.816779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.816779 (E_RNA)
where:
Base-Base interactions energy: -1592.551
where: short stacking energy: -682.151
Base-Backbone interact. energy: -2.312
local terms energy: -743.953892
where:
bonds (distance) C4'-P energy: -139.151
bonds (distance) P-C4' energy: -138.425
flat angles C4'-P-C4' energy: -159.936
flat angles P-C4'-P energy: -105.829
tors. eta vs tors. theta energy: -200.613
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: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2223.651910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.651910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.651910 (E_RNA)
where:
Base-Base interactions energy: -1485.009
where: short stacking energy: -642.243
Base-Backbone interact. energy: -4.525
local terms energy: -734.118647
where:
bonds (distance) C4'-P energy: -147.999
bonds (distance) P-C4' energy: -137.166
flat angles C4'-P-C4' energy: -154.953
flat angles P-C4'-P energy: -105.206
tors. eta vs tors. theta energy: -188.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2070.211846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.211846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.211846 (E_RNA)
where:
Base-Base interactions energy: -1383.903
where: short stacking energy: -607.460
Base-Backbone interact. energy: -1.667
local terms energy: -684.641646
where:
bonds (distance) C4'-P energy: -133.384
bonds (distance) P-C4' energy: -134.085
flat angles C4'-P-C4' energy: -160.202
flat angles P-C4'-P energy: -92.601
tors. eta vs tors. theta energy: -164.371
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: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1958.433013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.433013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.433013 (E_RNA)
where:
Base-Base interactions energy: -1300.137
where: short stacking energy: -556.645
Base-Backbone interact. energy: -2.861
local terms energy: -655.435120
where:
bonds (distance) C4'-P energy: -126.211
bonds (distance) P-C4' energy: -133.454
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -90.405
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: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1723.768590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.768590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.768590 (E_RNA)
where:
Base-Base interactions energy: -1138.197
where: short stacking energy: -520.863
Base-Backbone interact. energy: 1.363
local terms energy: -586.935063
where:
bonds (distance) C4'-P energy: -116.562
bonds (distance) P-C4' energy: -117.197
flat angles C4'-P-C4' energy: -138.532
flat angles P-C4'-P energy: -74.897
tors. eta vs tors. theta energy: -139.748
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: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1700.902364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.902364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.902364 (E_RNA)
where:
Base-Base interactions energy: -1151.510
where: short stacking energy: -505.563
Base-Backbone interact. energy: 4.231
local terms energy: -553.623806
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -106.944
flat angles C4'-P-C4' energy: -132.993
flat angles P-C4'-P energy: -86.238
tors. eta vs tors. theta energy: -117.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1179.452264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.452264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.452264 (E_RNA)
where:
Base-Base interactions energy: -690.203
where: short stacking energy: -357.964
Base-Backbone interact. energy: 3.543
local terms energy: -492.791570
where:
bonds (distance) C4'-P energy: -131.591
bonds (distance) P-C4' energy: -119.672
flat angles C4'-P-C4' energy: -120.987
flat angles P-C4'-P energy: -71.075
tors. eta vs tors. theta energy: -49.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -842.103802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.103802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.103802 (E_RNA)
where:
Base-Base interactions energy: -425.077
where: short stacking energy: -254.975
Base-Backbone interact. energy: -2.165
local terms energy: -414.861275
where:
bonds (distance) C4'-P energy: -107.050
bonds (distance) P-C4' energy: -107.981
flat angles C4'-P-C4' energy: -113.009
flat angles P-C4'-P energy: -73.570
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -634.843924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.843924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.843924 (E_RNA)
where:
Base-Base interactions energy: -258.180
where: short stacking energy: -185.733
Base-Backbone interact. energy: 0.585
local terms energy: -377.249209
where:
bonds (distance) C4'-P energy: -94.347
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -91.374
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: 7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2425.235812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.235812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.235812 (E_RNA)
where:
Base-Base interactions energy: -1677.086
where: short stacking energy: -709.871
Base-Backbone interact. energy: -2.466
local terms energy: -745.684159
where:
bonds (distance) C4'-P energy: -139.891
bonds (distance) P-C4' energy: -152.441
flat angles C4'-P-C4' energy: -153.972
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -202.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2384.996347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.996347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.996347 (E_RNA)
where:
Base-Base interactions energy: -1631.072
where: short stacking energy: -725.435
Base-Backbone interact. energy: -4.367
local terms energy: -749.557113
where:
bonds (distance) C4'-P energy: -136.965
bonds (distance) P-C4' energy: -138.602
flat angles C4'-P-C4' energy: -166.955
flat angles P-C4'-P energy: -103.997
tors. eta vs tors. theta energy: -203.038
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: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2269.204659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.204659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.204659 (E_RNA)
where:
Base-Base interactions energy: -1561.064
where: short stacking energy: -684.990
Base-Backbone interact. energy: -3.147
local terms energy: -704.992851
where:
bonds (distance) C4'-P energy: -129.060
bonds (distance) P-C4' energy: -133.820
flat angles C4'-P-C4' energy: -163.929
flat angles P-C4'-P energy: -96.621
tors. eta vs tors. theta energy: -181.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2219.069720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.069720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.069720 (E_RNA)
where:
Base-Base interactions energy: -1491.865
where: short stacking energy: -668.645
Base-Backbone interact. energy: 0.208
local terms energy: -727.412995
where:
bonds (distance) C4'-P energy: -139.355
bonds (distance) P-C4' energy: -131.667
flat angles C4'-P-C4' energy: -149.633
flat angles P-C4'-P energy: -109.210
tors. eta vs tors. theta energy: -197.549
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: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1924.118606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.118606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.118606 (E_RNA)
where:
Base-Base interactions energy: -1294.286
where: short stacking energy: -580.296
Base-Backbone interact. energy: -3.259
local terms energy: -626.573879
where:
bonds (distance) C4'-P energy: -115.997
bonds (distance) P-C4' energy: -127.326
flat angles C4'-P-C4' energy: -140.352
flat angles P-C4'-P energy: -84.290
tors. eta vs tors. theta energy: -158.609
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: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1736.642992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.642992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.642992 (E_RNA)
where:
Base-Base interactions energy: -1122.579
where: short stacking energy: -527.300
Base-Backbone interact. energy: -3.142
local terms energy: -610.922533
where:
bonds (distance) C4'-P energy: -109.424
bonds (distance) P-C4' energy: -140.284
flat angles C4'-P-C4' energy: -133.016
flat angles P-C4'-P energy: -89.725
tors. eta vs tors. theta energy: -138.473
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: 118
Temperature: 1.200000
Total energy: -1735.377344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.377344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.377344 (E_RNA)
where:
Base-Base interactions energy: -1137.427
where: short stacking energy: -524.534
Base-Backbone interact. energy: -0.868
local terms energy: -597.081856
where:
bonds (distance) C4'-P energy: -108.104
bonds (distance) P-C4' energy: -132.360
flat angles C4'-P-C4' energy: -140.673
flat angles P-C4'-P energy: -82.051
tors. eta vs tors. theta energy: -133.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1208.355224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.355224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.355224 (E_RNA)
where:
Base-Base interactions energy: -692.655
where: short stacking energy: -320.577
Base-Backbone interact. energy: 2.567
local terms energy: -518.266627
where:
bonds (distance) C4'-P energy: -113.332
bonds (distance) P-C4' energy: -141.476
flat angles C4'-P-C4' energy: -129.035
flat angles P-C4'-P energy: -83.866
tors. eta vs tors. theta energy: -50.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -761.924571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.924571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.924571 (E_RNA)
where:
Base-Base interactions energy: -396.869
where: short stacking energy: -213.695
Base-Backbone interact. energy: -3.365
local terms energy: -361.690407
where:
bonds (distance) C4'-P energy: -122.269
bonds (distance) P-C4' energy: -129.122
flat angles C4'-P-C4' energy: -91.094
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: 24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -625.326185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.326185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.326185 (E_RNA)
where:
Base-Base interactions energy: -272.213
where: short stacking energy: -174.485
Base-Backbone interact. energy: 0.445
local terms energy: -353.557737
where:
bonds (distance) C4'-P energy: -108.017
bonds (distance) P-C4' energy: -115.528
flat angles C4'-P-C4' energy: -91.019
flat angles P-C4'-P energy: -58.022
tors. eta vs tors. theta energy: 19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2434.513675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.513675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.513675 (E_RNA)
where:
Base-Base interactions energy: -1691.258
where: short stacking energy: -725.800
Base-Backbone interact. energy: -3.946
local terms energy: -739.308928
where:
bonds (distance) C4'-P energy: -134.314
bonds (distance) P-C4' energy: -135.950
flat angles C4'-P-C4' energy: -161.537
flat angles P-C4'-P energy: -106.073
tors. eta vs tors. theta energy: -201.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2338.201583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.201583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.201583 (E_RNA)
where:
Base-Base interactions energy: -1600.952
where: short stacking energy: -701.617
Base-Backbone interact. energy: -4.377
local terms energy: -732.872200
where:
bonds (distance) C4'-P energy: -137.739
bonds (distance) P-C4' energy: -135.509
flat angles C4'-P-C4' energy: -157.777
flat angles P-C4'-P energy: -97.236
tors. eta vs tors. theta energy: -204.611
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: 119
Temperature: 1.000000
Total energy: -2313.349419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.349419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.349419 (E_RNA)
where:
Base-Base interactions energy: -1611.443
where: short stacking energy: -676.906
Base-Backbone interact. energy: -0.475
local terms energy: -701.431724
where:
bonds (distance) C4'-P energy: -117.174
bonds (distance) P-C4' energy: -126.537
flat angles C4'-P-C4' energy: -148.058
flat angles P-C4'-P energy: -113.114
tors. eta vs tors. theta energy: -196.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2133.916427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.916427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.916427 (E_RNA)
where:
Base-Base interactions energy: -1484.991
where: short stacking energy: -651.375
Base-Backbone interact. energy: -5.189
local terms energy: -643.735833
where:
bonds (distance) C4'-P energy: -92.449
bonds (distance) P-C4' energy: -126.668
flat angles C4'-P-C4' energy: -144.251
flat angles P-C4'-P energy: -104.439
tors. eta vs tors. theta energy: -175.928
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1946.387359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.387359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.387359 (E_RNA)
where:
Base-Base interactions energy: -1314.389
where: short stacking energy: -554.059
Base-Backbone interact. energy: -2.300
local terms energy: -629.698839
where:
bonds (distance) C4'-P energy: -121.203
bonds (distance) P-C4' energy: -126.184
flat angles C4'-P-C4' energy: -144.317
flat angles P-C4'-P energy: -85.248
tors. eta vs tors. theta energy: -152.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1754.305581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.305581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.305581 (E_RNA)
where:
Base-Base interactions energy: -1145.686
where: short stacking energy: -541.663
Base-Backbone interact. energy: -2.227
local terms energy: -606.393094
where:
bonds (distance) C4'-P energy: -110.401
bonds (distance) P-C4' energy: -124.094
flat angles C4'-P-C4' energy: -142.050
flat angles P-C4'-P energy: -84.645
tors. eta vs tors. theta energy: -145.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1617.757236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.757236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.757236 (E_RNA)
where:
Base-Base interactions energy: -1065.296
where: short stacking energy: -462.304
Base-Backbone interact. energy: 7.981
local terms energy: -560.441595
where:
bonds (distance) C4'-P energy: -119.168
bonds (distance) P-C4' energy: -106.239
flat angles C4'-P-C4' energy: -139.137
flat angles P-C4'-P energy: -100.475
tors. eta vs tors. theta energy: -95.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1057.908831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.908831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.908831 (E_RNA)
where:
Base-Base interactions energy: -588.768
where: short stacking energy: -277.585
Base-Backbone interact. energy: 0.905
local terms energy: -470.045735
where:
bonds (distance) C4'-P energy: -138.266
bonds (distance) P-C4' energy: -117.489
flat angles C4'-P-C4' energy: -120.711
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -42.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -737.890831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.890831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.890831 (E_RNA)
where:
Base-Base interactions energy: -354.332
where: short stacking energy: -212.439
Base-Backbone interact. energy: -3.060
local terms energy: -380.498741
where:
bonds (distance) C4'-P energy: -113.112
bonds (distance) P-C4' energy: -126.592
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -44.518
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -647.702170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.702170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.702170 (E_RNA)
where:
Base-Base interactions energy: -319.012
where: short stacking energy: -180.839
Base-Backbone interact. energy: 9.948
local terms energy: -338.637970
where:
bonds (distance) C4'-P energy: -95.411
bonds (distance) P-C4' energy: -105.154
flat angles C4'-P-C4' energy: -87.251
flat angles P-C4'-P energy: -60.776
tors. eta vs tors. theta energy: 9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2447.798670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.798670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.798670 (E_RNA)
where:
Base-Base interactions energy: -1699.138
where: short stacking energy: -705.841
Base-Backbone interact. energy: -4.163
local terms energy: -744.498146
where:
bonds (distance) C4'-P energy: -134.888
bonds (distance) P-C4' energy: -147.043
flat angles C4'-P-C4' energy: -159.986
flat angles P-C4'-P energy: -101.641
tors. eta vs tors. theta energy: -200.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2339.668232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.668232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.668232 (E_RNA)
where:
Base-Base interactions energy: -1594.830
where: short stacking energy: -691.218
Base-Backbone interact. energy: -2.843
local terms energy: -741.995748
where:
bonds (distance) C4'-P energy: -139.814
bonds (distance) P-C4' energy: -148.208
flat angles C4'-P-C4' energy: -160.621
flat angles P-C4'-P energy: -100.572
tors. eta vs tors. theta energy: -192.781
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: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2276.482411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.482411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.482411 (E_RNA)
where:
Base-Base interactions energy: -1587.039
where: short stacking energy: -680.462
Base-Backbone interact. energy: -1.084
local terms energy: -688.359281
where:
bonds (distance) C4'-P energy: -136.933
bonds (distance) P-C4' energy: -131.300
flat angles C4'-P-C4' energy: -139.114
flat angles P-C4'-P energy: -83.827
tors. eta vs tors. theta energy: -197.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2203.714146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.714146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.714146 (E_RNA)
where:
Base-Base interactions energy: -1539.842
where: short stacking energy: -687.304
Base-Backbone interact. energy: 2.011
local terms energy: -665.882936
where:
bonds (distance) C4'-P energy: -111.632
bonds (distance) P-C4' energy: -117.650
flat angles C4'-P-C4' energy: -141.204
flat angles P-C4'-P energy: -100.226
tors. eta vs tors. theta energy: -195.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1943.030362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.030362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.030362 (E_RNA)
where:
Base-Base interactions energy: -1306.903
where: short stacking energy: -579.629
Base-Backbone interact. energy: 0.286
local terms energy: -636.413458
where:
bonds (distance) C4'-P energy: -109.901
bonds (distance) P-C4' energy: -144.638
flat angles C4'-P-C4' energy: -139.722
flat angles P-C4'-P energy: -87.522
tors. eta vs tors. theta energy: -154.631
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: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1681.257812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.257812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.257812 (E_RNA)
where:
Base-Base interactions energy: -1091.413
where: short stacking energy: -498.969
Base-Backbone interact. energy: -1.613
local terms energy: -588.231387
where:
bonds (distance) C4'-P energy: -118.548
bonds (distance) P-C4' energy: -131.883
flat angles C4'-P-C4' energy: -126.329
flat angles P-C4'-P energy: -87.042
tors. eta vs tors. theta energy: -124.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1594.325309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.325309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.325309 (E_RNA)
where:
Base-Base interactions energy: -1033.285
where: short stacking energy: -480.484
Base-Backbone interact. energy: -1.586
local terms energy: -559.454700
where:
bonds (distance) C4'-P energy: -123.911
bonds (distance) P-C4' energy: -122.269
flat angles C4'-P-C4' energy: -123.801
flat angles P-C4'-P energy: -80.863
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: 120
Temperature: 1.250000
Total energy: -1127.032046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.032046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.032046 (E_RNA)
where:
Base-Base interactions energy: -657.926
where: short stacking energy: -334.808
Base-Backbone interact. energy: -1.188
local terms energy: -467.917959
where:
bonds (distance) C4'-P energy: -104.359
bonds (distance) P-C4' energy: -137.462
flat angles C4'-P-C4' energy: -118.437
flat angles P-C4'-P energy: -52.347
tors. eta vs tors. theta energy: -55.314
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: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -740.266958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.266958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.266958 (E_RNA)
where:
Base-Base interactions energy: -352.322
where: short stacking energy: -232.348
Base-Backbone interact. energy: 3.974
local terms energy: -391.919107
where:
bonds (distance) C4'-P energy: -118.427
bonds (distance) P-C4' energy: -109.943
flat angles C4'-P-C4' energy: -98.677
flat angles P-C4'-P energy: -67.613
tors. eta vs tors. theta energy: 2.740
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: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -692.133233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.133233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.133233 (E_RNA)
where:
Base-Base interactions energy: -311.083
where: short stacking energy: -207.519
Base-Backbone interact. energy: -0.858
local terms energy: -380.191793
where:
bonds (distance) C4'-P energy: -117.085
bonds (distance) P-C4' energy: -106.338
flat angles C4'-P-C4' energy: -114.781
flat angles P-C4'-P energy: -52.451
tors. eta vs tors. theta energy: 10.464
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: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2436.448338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.448338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.448338 (E_RNA)
where:
Base-Base interactions energy: -1678.563
where: short stacking energy: -721.447
Base-Backbone interact. energy: -4.741
local terms energy: -753.144524
where:
bonds (distance) C4'-P energy: -145.565
bonds (distance) P-C4' energy: -148.045
flat angles C4'-P-C4' energy: -162.204
flat angles P-C4'-P energy: -99.133
tors. eta vs tors. theta energy: -198.198
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: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2386.783796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.783796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.783796 (E_RNA)
where:
Base-Base interactions energy: -1620.710
where: short stacking energy: -718.931
Base-Backbone interact. energy: -1.457
local terms energy: -764.616575
where:
bonds (distance) C4'-P energy: -146.784
bonds (distance) P-C4' energy: -136.948
flat angles C4'-P-C4' energy: -166.222
flat angles P-C4'-P energy: -112.024
tors. eta vs tors. theta energy: -202.638
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: 121
Temperature: 1.000000
Total energy: -2276.479949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.479949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.479949 (E_RNA)
where:
Base-Base interactions energy: -1567.343
where: short stacking energy: -653.645
Base-Backbone interact. energy: -1.100
local terms energy: -708.036628
where:
bonds (distance) C4'-P energy: -121.908
bonds (distance) P-C4' energy: -142.766
flat angles C4'-P-C4' energy: -154.799
flat angles P-C4'-P energy: -106.349
tors. eta vs tors. theta energy: -182.214
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: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2248.877006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.877006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.877006 (E_RNA)
where:
Base-Base interactions energy: -1519.958
where: short stacking energy: -678.083
Base-Backbone interact. energy: -3.038
local terms energy: -725.881652
where:
bonds (distance) C4'-P energy: -128.946
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -160.027
flat angles P-C4'-P energy: -107.992
tors. eta vs tors. theta energy: -211.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1945.172501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.172501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.172501 (E_RNA)
where:
Base-Base interactions energy: -1336.860
where: short stacking energy: -594.355
Base-Backbone interact. energy: -4.119
local terms energy: -604.193932
where:
bonds (distance) C4'-P energy: -105.204
bonds (distance) P-C4' energy: -113.985
flat angles C4'-P-C4' energy: -135.034
flat angles P-C4'-P energy: -79.073
tors. eta vs tors. theta energy: -170.898
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: 121
Temperature: 1.150000
Total energy: -1715.566405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.566405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.566405 (E_RNA)
where:
Base-Base interactions energy: -1102.009
where: short stacking energy: -497.533
Base-Backbone interact. energy: -1.703
local terms energy: -611.854801
where:
bonds (distance) C4'-P energy: -117.640
bonds (distance) P-C4' energy: -118.529
flat angles C4'-P-C4' energy: -162.922
flat angles P-C4'-P energy: -89.139
tors. eta vs tors. theta energy: -123.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1639.041293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.041293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.041293 (E_RNA)
where:
Base-Base interactions energy: -1059.817
where: short stacking energy: -480.251
Base-Backbone interact. energy: -1.548
local terms energy: -577.675918
where:
bonds (distance) C4'-P energy: -121.473
bonds (distance) P-C4' energy: -120.599
flat angles C4'-P-C4' energy: -139.310
flat angles P-C4'-P energy: -82.294
tors. eta vs tors. theta energy: -114.001
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: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1088.388108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.388108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.388108 (E_RNA)
where:
Base-Base interactions energy: -631.401
where: short stacking energy: -322.148
Base-Backbone interact. energy: 1.279
local terms energy: -458.265574
where:
bonds (distance) C4'-P energy: -124.965
bonds (distance) P-C4' energy: -120.451
flat angles C4'-P-C4' energy: -101.088
flat angles P-C4'-P energy: -67.993
tors. eta vs tors. theta energy: -43.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -767.884370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.884370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.884370 (E_RNA)
where:
Base-Base interactions energy: -369.324
where: short stacking energy: -228.511
Base-Backbone interact. energy: -1.270
local terms energy: -397.290871
where:
bonds (distance) C4'-P energy: -107.568
bonds (distance) P-C4' energy: -117.968
flat angles C4'-P-C4' energy: -105.882
flat angles P-C4'-P energy: -62.205
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -670.638267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.638267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.638267 (E_RNA)
where:
Base-Base interactions energy: -310.551
where: short stacking energy: -195.777
Base-Backbone interact. energy: 9.349
local terms energy: -369.435714
where:
bonds (distance) C4'-P energy: -100.292
bonds (distance) P-C4' energy: -129.696
flat angles C4'-P-C4' energy: -99.164
flat angles P-C4'-P energy: -49.203
tors. eta vs tors. theta energy: 8.919
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: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2454.385420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.385420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.385420 (E_RNA)
where:
Base-Base interactions energy: -1722.201
where: short stacking energy: -711.524
Base-Backbone interact. energy: -2.016
local terms energy: -730.169097
where:
bonds (distance) C4'-P energy: -129.129
bonds (distance) P-C4' energy: -136.120
flat angles C4'-P-C4' energy: -168.202
flat angles P-C4'-P energy: -94.638
tors. eta vs tors. theta energy: -202.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2400.195790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.195790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.195790 (E_RNA)
where:
Base-Base interactions energy: -1648.207
where: short stacking energy: -688.677
Base-Backbone interact. energy: -4.996
local terms energy: -746.993293
where:
bonds (distance) C4'-P energy: -126.498
bonds (distance) P-C4' energy: -144.323
flat angles C4'-P-C4' energy: -165.065
flat angles P-C4'-P energy: -104.995
tors. eta vs tors. theta energy: -206.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2291.459421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.459421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.459421 (E_RNA)
where:
Base-Base interactions energy: -1564.106
where: short stacking energy: -665.888
Base-Backbone interact. energy: -2.573
local terms energy: -724.780166
where:
bonds (distance) C4'-P energy: -124.645
bonds (distance) P-C4' energy: -138.689
flat angles C4'-P-C4' energy: -151.487
flat angles P-C4'-P energy: -103.188
tors. eta vs tors. theta energy: -206.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2207.752896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.752896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.752896 (E_RNA)
where:
Base-Base interactions energy: -1527.499
where: short stacking energy: -642.325
Base-Backbone interact. energy: 0.871
local terms energy: -681.125257
where:
bonds (distance) C4'-P energy: -124.287
bonds (distance) P-C4' energy: -111.406
flat angles C4'-P-C4' energy: -152.657
flat angles P-C4'-P energy: -105.047
tors. eta vs tors. theta energy: -187.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1971.374799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.374799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.374799 (E_RNA)
where:
Base-Base interactions energy: -1334.015
where: short stacking energy: -587.365
Base-Backbone interact. energy: 1.222
local terms energy: -638.581780
where:
bonds (distance) C4'-P energy: -121.790
bonds (distance) P-C4' energy: -123.141
flat angles C4'-P-C4' energy: -150.846
flat angles P-C4'-P energy: -83.554
tors. eta vs tors. theta energy: -159.252
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: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1622.648526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.648526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.648526 (E_RNA)
where:
Base-Base interactions energy: -1055.785
where: short stacking energy: -486.542
Base-Backbone interact. energy: -2.916
local terms energy: -563.947826
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -128.867
flat angles C4'-P-C4' energy: -126.203
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -115.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1742.803033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.803033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.803033 (E_RNA)
where:
Base-Base interactions energy: -1154.984
where: short stacking energy: -507.661
Base-Backbone interact. energy: -0.811
local terms energy: -587.007905
where:
bonds (distance) C4'-P energy: -113.528
bonds (distance) P-C4' energy: -120.350
flat angles C4'-P-C4' energy: -141.183
flat angles P-C4'-P energy: -89.402
tors. eta vs tors. theta energy: -122.546
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: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1102.208917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.208917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.208917 (E_RNA)
where:
Base-Base interactions energy: -643.384
where: short stacking energy: -362.908
Base-Backbone interact. energy: 1.881
local terms energy: -460.705845
where:
bonds (distance) C4'-P energy: -109.090
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -108.776
flat angles P-C4'-P energy: -55.439
tors. eta vs tors. theta energy: -59.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -763.722266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.722266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.722266 (E_RNA)
where:
Base-Base interactions energy: -372.766
where: short stacking energy: -217.318
Base-Backbone interact. energy: -1.056
local terms energy: -389.901116
where:
bonds (distance) C4'-P energy: -111.855
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -95.863
flat angles P-C4'-P energy: -58.365
tors. eta vs tors. theta energy: 0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -706.155716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.155716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.155716 (E_RNA)
where:
Base-Base interactions energy: -331.382
where: short stacking energy: -201.438
Base-Backbone interact. energy: -1.056
local terms energy: -373.717319
where:
bonds (distance) C4'-P energy: -97.975
bonds (distance) P-C4' energy: -110.648
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -72.340
tors. eta vs tors. theta energy: 1.540
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2457.510066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.510066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.510066 (E_RNA)
where:
Base-Base interactions energy: -1719.001
where: short stacking energy: -745.474
Base-Backbone interact. energy: -1.684
local terms energy: -736.825207
where:
bonds (distance) C4'-P energy: -138.842
bonds (distance) P-C4' energy: -143.547
flat angles C4'-P-C4' energy: -156.026
flat angles P-C4'-P energy: -103.856
tors. eta vs tors. theta energy: -194.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2368.904928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.904928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.904928 (E_RNA)
where:
Base-Base interactions energy: -1626.020
where: short stacking energy: -719.091
Base-Backbone interact. energy: -2.756
local terms energy: -740.129020
where:
bonds (distance) C4'-P energy: -137.381
bonds (distance) P-C4' energy: -130.922
flat angles C4'-P-C4' energy: -165.751
flat angles P-C4'-P energy: -108.245
tors. eta vs tors. theta energy: -197.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2329.086492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.086492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.086492 (E_RNA)
where:
Base-Base interactions energy: -1602.516
where: short stacking energy: -690.369
Base-Backbone interact. energy: -3.210
local terms energy: -723.360728
where:
bonds (distance) C4'-P energy: -130.758
bonds (distance) P-C4' energy: -135.582
flat angles C4'-P-C4' energy: -152.973
flat angles P-C4'-P energy: -103.646
tors. eta vs tors. theta energy: -200.401
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2233.050146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.050146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.050146 (E_RNA)
where:
Base-Base interactions energy: -1506.029
where: short stacking energy: -664.500
Base-Backbone interact. energy: -1.492
local terms energy: -725.529038
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -138.849
flat angles C4'-P-C4' energy: -154.177
flat angles P-C4'-P energy: -106.147
tors. eta vs tors. theta energy: -201.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1913.522305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.522305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.522305 (E_RNA)
where:
Base-Base interactions energy: -1275.328
where: short stacking energy: -561.666
Base-Backbone interact. energy: -1.255
local terms energy: -636.939362
where:
bonds (distance) C4'-P energy: -121.290
bonds (distance) P-C4' energy: -124.195
flat angles C4'-P-C4' energy: -159.501
flat angles P-C4'-P energy: -80.171
tors. eta vs tors. theta energy: -151.782
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: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1784.964216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.964216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.964216 (E_RNA)
where:
Base-Base interactions energy: -1193.842
where: short stacking energy: -558.181
Base-Backbone interact. energy: -2.087
local terms energy: -589.034930
where:
bonds (distance) C4'-P energy: -123.190
bonds (distance) P-C4' energy: -117.280
flat angles C4'-P-C4' energy: -121.872
flat angles P-C4'-P energy: -95.546
tors. eta vs tors. theta energy: -131.147
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: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1588.477961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.477961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.477961 (E_RNA)
where:
Base-Base interactions energy: -1061.827
where: short stacking energy: -440.463
Base-Backbone interact. energy: -0.731
local terms energy: -525.920070
where:
bonds (distance) C4'-P energy: -118.847
bonds (distance) P-C4' energy: -103.894
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -84.816
tors. eta vs tors. theta energy: -96.069
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: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1118.635074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.635074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.635074 (E_RNA)
where:
Base-Base interactions energy: -685.330
where: short stacking energy: -334.042
Base-Backbone interact. energy: -2.512
local terms energy: -430.793338
where:
bonds (distance) C4'-P energy: -122.321
bonds (distance) P-C4' energy: -115.916
flat angles C4'-P-C4' energy: -94.934
flat angles P-C4'-P energy: -58.094
tors. eta vs tors. theta energy: -39.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -784.197802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.197802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.197802 (E_RNA)
where:
Base-Base interactions energy: -377.148
where: short stacking energy: -228.251
Base-Backbone interact. energy: -1.231
local terms energy: -405.818758
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -120.485
flat angles C4'-P-C4' energy: -109.077
flat angles P-C4'-P energy: -73.142
tors. eta vs tors. theta energy: 8.979
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: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -613.354556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.354556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.354556 (E_RNA)
where:
Base-Base interactions energy: -267.372
where: short stacking energy: -173.138
Base-Backbone interact. energy: -1.034
local terms energy: -344.948500
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -118.358
flat angles C4'-P-C4' energy: -89.326
flat angles P-C4'-P energy: -65.913
tors. eta vs tors. theta energy: 40.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2459.971383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.971383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.971383 (E_RNA)
where:
Base-Base interactions energy: -1714.389
where: short stacking energy: -714.259
Base-Backbone interact. energy: -4.984
local terms energy: -740.597431
where:
bonds (distance) C4'-P energy: -134.474
bonds (distance) P-C4' energy: -137.890
flat angles C4'-P-C4' energy: -155.296
flat angles P-C4'-P energy: -105.881
tors. eta vs tors. theta energy: -207.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2385.171930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.171930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.171930 (E_RNA)
where:
Base-Base interactions energy: -1656.005
where: short stacking energy: -691.641
Base-Backbone interact. energy: -3.359
local terms energy: -725.807616
where:
bonds (distance) C4'-P energy: -121.640
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -164.290
flat angles P-C4'-P energy: -106.374
tors. eta vs tors. theta energy: -202.599
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: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2322.395988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.395988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.395988 (E_RNA)
where:
Base-Base interactions energy: -1583.609
where: short stacking energy: -690.082
Base-Backbone interact. energy: -4.266
local terms energy: -734.521091
where:
bonds (distance) C4'-P energy: -143.441
bonds (distance) P-C4' energy: -139.473
flat angles C4'-P-C4' energy: -155.625
flat angles P-C4'-P energy: -100.192
tors. eta vs tors. theta energy: -195.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2176.009124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.009124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.009124 (E_RNA)
where:
Base-Base interactions energy: -1470.669
where: short stacking energy: -637.158
Base-Backbone interact. energy: -1.601
local terms energy: -703.739057
where:
bonds (distance) C4'-P energy: -139.787
bonds (distance) P-C4' energy: -129.802
flat angles C4'-P-C4' energy: -144.185
flat angles P-C4'-P energy: -108.940
tors. eta vs tors. theta energy: -181.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1938.394499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.394499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.394499 (E_RNA)
where:
Base-Base interactions energy: -1293.813
where: short stacking energy: -592.779
Base-Backbone interact. energy: -0.760
local terms energy: -643.821611
where:
bonds (distance) C4'-P energy: -102.584
bonds (distance) P-C4' energy: -129.634
flat angles C4'-P-C4' energy: -145.167
flat angles P-C4'-P energy: -110.628
tors. eta vs tors. theta energy: -155.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1800.247719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.247719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.247719 (E_RNA)
where:
Base-Base interactions energy: -1189.617
where: short stacking energy: -549.414
Base-Backbone interact. energy: -1.343
local terms energy: -609.288038
where:
bonds (distance) C4'-P energy: -114.117
bonds (distance) P-C4' energy: -123.182
flat angles C4'-P-C4' energy: -139.086
flat angles P-C4'-P energy: -92.723
tors. eta vs tors. theta energy: -140.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1606.908611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.908611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.908611 (E_RNA)
where:
Base-Base interactions energy: -1086.379
where: short stacking energy: -474.909
Base-Backbone interact. energy: 0.069
local terms energy: -520.598618
where:
bonds (distance) C4'-P energy: -97.923
bonds (distance) P-C4' energy: -131.382
flat angles C4'-P-C4' energy: -134.714
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: -108.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1145.025897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.025897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.025897 (E_RNA)
where:
Base-Base interactions energy: -657.936
where: short stacking energy: -352.103
Base-Backbone interact. energy: 0.935
local terms energy: -488.024648
where:
bonds (distance) C4'-P energy: -138.078
bonds (distance) P-C4' energy: -106.748
flat angles C4'-P-C4' energy: -111.679
flat angles P-C4'-P energy: -65.092
tors. eta vs tors. theta energy: -66.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -800.734559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.734559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.734559 (E_RNA)
where:
Base-Base interactions energy: -378.409
where: short stacking energy: -185.963
Base-Backbone interact. energy: -1.417
local terms energy: -420.908815
where:
bonds (distance) C4'-P energy: -108.335
bonds (distance) P-C4' energy: -134.653
flat angles C4'-P-C4' energy: -120.528
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: -9.299
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: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -631.878114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.878114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.878114 (E_RNA)
where:
Base-Base interactions energy: -241.968
where: short stacking energy: -157.235
Base-Backbone interact. energy: 4.849
local terms energy: -394.759221
where:
bonds (distance) C4'-P energy: -134.894
bonds (distance) P-C4' energy: -106.205
flat angles C4'-P-C4' energy: -108.199
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: 13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2403.354473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.354473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.354473 (E_RNA)
where:
Base-Base interactions energy: -1656.263
where: short stacking energy: -715.869
Base-Backbone interact. energy: -2.703
local terms energy: -744.387839
where:
bonds (distance) C4'-P energy: -136.142
bonds (distance) P-C4' energy: -136.576
flat angles C4'-P-C4' energy: -171.376
flat angles P-C4'-P energy: -93.227
tors. eta vs tors. theta energy: -207.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2358.480056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.480056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.480056 (E_RNA)
where:
Base-Base interactions energy: -1629.534
where: short stacking energy: -676.120
Base-Backbone interact. energy: -2.872
local terms energy: -726.074151
where:
bonds (distance) C4'-P energy: -143.469
bonds (distance) P-C4' energy: -132.680
flat angles C4'-P-C4' energy: -161.372
flat angles P-C4'-P energy: -95.235
tors. eta vs tors. theta energy: -193.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2282.842409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.842409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.842409 (E_RNA)
where:
Base-Base interactions energy: -1584.122
where: short stacking energy: -648.442
Base-Backbone interact. energy: -1.380
local terms energy: -697.339937
where:
bonds (distance) C4'-P energy: -133.736
bonds (distance) P-C4' energy: -130.395
flat angles C4'-P-C4' energy: -140.818
flat angles P-C4'-P energy: -100.590
tors. eta vs tors. theta energy: -191.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2183.049099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.049099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.049099 (E_RNA)
where:
Base-Base interactions energy: -1509.422
where: short stacking energy: -658.177
Base-Backbone interact. energy: -5.044
local terms energy: -668.583206
where:
bonds (distance) C4'-P energy: -131.403
bonds (distance) P-C4' energy: -127.377
flat angles C4'-P-C4' energy: -135.087
flat angles P-C4'-P energy: -94.429
tors. eta vs tors. theta energy: -180.286
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: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2002.484382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.484382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.484382 (E_RNA)
where:
Base-Base interactions energy: -1352.694
where: short stacking energy: -588.667
Base-Backbone interact. energy: 6.038
local terms energy: -655.827742
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -130.962
flat angles C4'-P-C4' energy: -153.525
flat angles P-C4'-P energy: -95.105
tors. eta vs tors. theta energy: -156.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1789.478834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.478834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.478834 (E_RNA)
where:
Base-Base interactions energy: -1173.523
where: short stacking energy: -537.462
Base-Backbone interact. energy: -2.256
local terms energy: -613.700098
where:
bonds (distance) C4'-P energy: -120.138
bonds (distance) P-C4' energy: -121.943
flat angles C4'-P-C4' energy: -141.149
flat angles P-C4'-P energy: -86.921
tors. eta vs tors. theta energy: -143.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1600.590961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.590961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.590961 (E_RNA)
where:
Base-Base interactions energy: -1041.064
where: short stacking energy: -453.664
Base-Backbone interact. energy: -2.820
local terms energy: -556.707358
where:
bonds (distance) C4'-P energy: -115.803
bonds (distance) P-C4' energy: -132.451
flat angles C4'-P-C4' energy: -122.368
flat angles P-C4'-P energy: -76.407
tors. eta vs tors. theta energy: -109.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1177.475154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.475154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.475154 (E_RNA)
where:
Base-Base interactions energy: -682.186
where: short stacking energy: -339.121
Base-Backbone interact. energy: -0.616
local terms energy: -494.673262
where:
bonds (distance) C4'-P energy: -105.775
bonds (distance) P-C4' energy: -124.527
flat angles C4'-P-C4' energy: -114.942
flat angles P-C4'-P energy: -80.216
tors. eta vs tors. theta energy: -69.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -830.266503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.266503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.266503 (E_RNA)
where:
Base-Base interactions energy: -445.129
where: short stacking energy: -249.126
Base-Backbone interact. energy: 1.784
local terms energy: -386.922332
where:
bonds (distance) C4'-P energy: -89.881
bonds (distance) P-C4' energy: -110.618
flat angles C4'-P-C4' energy: -113.618
flat angles P-C4'-P energy: -66.135
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -607.330275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.330275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.330275 (E_RNA)
where:
Base-Base interactions energy: -256.169
where: short stacking energy: -172.240
Base-Backbone interact. energy: -0.534
local terms energy: -350.627124
where:
bonds (distance) C4'-P energy: -105.585
bonds (distance) P-C4' energy: -115.456
flat angles C4'-P-C4' energy: -109.872
flat angles P-C4'-P energy: -54.881
tors. eta vs tors. theta energy: 35.166
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: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2409.184344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.184344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.184344 (E_RNA)
where:
Base-Base interactions energy: -1656.907
where: short stacking energy: -718.159
Base-Backbone interact. energy: -0.603
local terms energy: -751.674267
where:
bonds (distance) C4'-P energy: -142.650
bonds (distance) P-C4' energy: -141.304
flat angles C4'-P-C4' energy: -166.759
flat angles P-C4'-P energy: -98.791
tors. eta vs tors. theta energy: -202.170
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: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2342.394364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.394364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.394364 (E_RNA)
where:
Base-Base interactions energy: -1616.604
where: short stacking energy: -702.634
Base-Backbone interact. energy: -1.221
local terms energy: -724.569965
where:
bonds (distance) C4'-P energy: -138.393
bonds (distance) P-C4' energy: -142.646
flat angles C4'-P-C4' energy: -149.947
flat angles P-C4'-P energy: -93.796
tors. eta vs tors. theta energy: -199.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2303.169327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.169327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.169327 (E_RNA)
where:
Base-Base interactions energy: -1578.947
where: short stacking energy: -655.620
Base-Backbone interact. energy: -2.330
local terms energy: -721.892353
where:
bonds (distance) C4'-P energy: -134.923
bonds (distance) P-C4' energy: -146.269
flat angles C4'-P-C4' energy: -149.393
flat angles P-C4'-P energy: -101.710
tors. eta vs tors. theta energy: -189.597
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: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2185.308208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.308208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.308208 (E_RNA)
where:
Base-Base interactions energy: -1481.548
where: short stacking energy: -635.557
Base-Backbone interact. energy: -2.613
local terms energy: -701.147791
where:
bonds (distance) C4'-P energy: -123.808
bonds (distance) P-C4' energy: -129.546
flat angles C4'-P-C4' energy: -153.005
flat angles P-C4'-P energy: -100.218
tors. eta vs tors. theta energy: -194.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2011.400676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.400676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.400676 (E_RNA)
where:
Base-Base interactions energy: -1384.270
where: short stacking energy: -624.963
Base-Backbone interact. energy: -0.285
local terms energy: -626.845603
where:
bonds (distance) C4'-P energy: -99.852
bonds (distance) P-C4' energy: -127.568
flat angles C4'-P-C4' energy: -146.855
flat angles P-C4'-P energy: -79.134
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: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1770.671683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.671683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.671683 (E_RNA)
where:
Base-Base interactions energy: -1158.655
where: short stacking energy: -538.776
Base-Backbone interact. energy: -0.978
local terms energy: -611.038703
where:
bonds (distance) C4'-P energy: -127.113
bonds (distance) P-C4' energy: -126.169
flat angles C4'-P-C4' energy: -133.242
flat angles P-C4'-P energy: -73.402
tors. eta vs tors. theta energy: -151.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1647.868179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.868179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.868179 (E_RNA)
where:
Base-Base interactions energy: -1089.741
where: short stacking energy: -504.332
Base-Backbone interact. energy: -2.779
local terms energy: -555.348211
where:
bonds (distance) C4'-P energy: -113.387
bonds (distance) P-C4' energy: -123.558
flat angles C4'-P-C4' energy: -121.203
flat angles P-C4'-P energy: -72.495
tors. eta vs tors. theta energy: -124.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1188.439681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.439681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.439681 (E_RNA)
where:
Base-Base interactions energy: -686.343
where: short stacking energy: -356.226
Base-Backbone interact. energy: 2.381
local terms energy: -504.477695
where:
bonds (distance) C4'-P energy: -123.724
bonds (distance) P-C4' energy: -129.627
flat angles C4'-P-C4' energy: -117.958
flat angles P-C4'-P energy: -74.684
tors. eta vs tors. theta energy: -58.485
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: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -802.900532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.900532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.900532 (E_RNA)
where:
Base-Base interactions energy: -411.827
where: short stacking energy: -242.313
Base-Backbone interact. energy: 0.837
local terms energy: -391.910344
where:
bonds (distance) C4'-P energy: -106.354
bonds (distance) P-C4' energy: -113.327
flat angles C4'-P-C4' energy: -111.140
flat angles P-C4'-P energy: -60.816
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: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -708.197304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.197304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.197304 (E_RNA)
where:
Base-Base interactions energy: -325.051
where: short stacking energy: -215.363
Base-Backbone interact. energy: -0.727
local terms energy: -382.419993
where:
bonds (distance) C4'-P energy: -121.316
bonds (distance) P-C4' energy: -102.621
flat angles C4'-P-C4' energy: -94.228
flat angles P-C4'-P energy: -60.788
tors. eta vs tors. theta energy: -3.467
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: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2425.169542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.169542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.169542 (E_RNA)
where:
Base-Base interactions energy: -1669.980
where: short stacking energy: -717.209
Base-Backbone interact. energy: -3.112
local terms energy: -752.078069
where:
bonds (distance) C4'-P energy: -139.018
bonds (distance) P-C4' energy: -142.001
flat angles C4'-P-C4' energy: -157.123
flat angles P-C4'-P energy: -114.035
tors. eta vs tors. theta energy: -199.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2376.160547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.160547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.160547 (E_RNA)
where:
Base-Base interactions energy: -1628.808
where: short stacking energy: -700.355
Base-Backbone interact. energy: -2.765
local terms energy: -744.587399
where:
bonds (distance) C4'-P energy: -152.874
bonds (distance) P-C4' energy: -136.360
flat angles C4'-P-C4' energy: -158.140
flat angles P-C4'-P energy: -105.708
tors. eta vs tors. theta energy: -191.504
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: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2275.159261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.159261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.159261 (E_RNA)
where:
Base-Base interactions energy: -1541.989
where: short stacking energy: -680.622
Base-Backbone interact. energy: -3.128
local terms energy: -730.042516
where:
bonds (distance) C4'-P energy: -120.593
bonds (distance) P-C4' energy: -143.615
flat angles C4'-P-C4' energy: -161.221
flat angles P-C4'-P energy: -105.198
tors. eta vs tors. theta energy: -199.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2181.008149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.008149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.008149 (E_RNA)
where:
Base-Base interactions energy: -1515.347
where: short stacking energy: -665.175
Base-Backbone interact. energy: -3.361
local terms energy: -662.300022
where:
bonds (distance) C4'-P energy: -110.898
bonds (distance) P-C4' energy: -106.993
flat angles C4'-P-C4' energy: -156.212
flat angles P-C4'-P energy: -92.541
tors. eta vs tors. theta energy: -195.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2019.413900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.413900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.413900 (E_RNA)
where:
Base-Base interactions energy: -1365.245
where: short stacking energy: -598.811
Base-Backbone interact. energy: -2.628
local terms energy: -651.540854
where:
bonds (distance) C4'-P energy: -126.701
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -134.136
flat angles P-C4'-P energy: -98.381
tors. eta vs tors. theta energy: -170.242
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: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1785.540460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.540460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.540460 (E_RNA)
where:
Base-Base interactions energy: -1167.778
where: short stacking energy: -537.808
Base-Backbone interact. energy: -2.873
local terms energy: -614.889614
where:
bonds (distance) C4'-P energy: -119.572
bonds (distance) P-C4' energy: -124.981
flat angles C4'-P-C4' energy: -136.075
flat angles P-C4'-P energy: -99.921
tors. eta vs tors. theta energy: -134.340
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: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1623.421178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.421178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.421178 (E_RNA)
where:
Base-Base interactions energy: -1053.491
where: short stacking energy: -462.396
Base-Backbone interact. energy: -2.068
local terms energy: -567.861625
where:
bonds (distance) C4'-P energy: -118.973
bonds (distance) P-C4' energy: -124.798
flat angles C4'-P-C4' energy: -134.399
flat angles P-C4'-P energy: -74.345
tors. eta vs tors. theta energy: -115.346
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: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1177.324378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.324378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.324378 (E_RNA)
where:
Base-Base interactions energy: -667.901
where: short stacking energy: -326.886
Base-Backbone interact. energy: 1.459
local terms energy: -510.881817
where:
bonds (distance) C4'-P energy: -125.498
bonds (distance) P-C4' energy: -138.247
flat angles C4'-P-C4' energy: -130.802
flat angles P-C4'-P energy: -73.253
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -772.705440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.705440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.705440 (E_RNA)
where:
Base-Base interactions energy: -386.694
where: short stacking energy: -224.312
Base-Backbone interact. energy: -1.034
local terms energy: -384.977176
where:
bonds (distance) C4'-P energy: -123.054
bonds (distance) P-C4' energy: -113.851
flat angles C4'-P-C4' energy: -90.700
flat angles P-C4'-P energy: -59.832
tors. eta vs tors. theta energy: 2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -711.821308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.821308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.821308 (E_RNA)
where:
Base-Base interactions energy: -334.004
where: short stacking energy: -219.526
Base-Backbone interact. energy: 1.837
local terms energy: -379.654060
where:
bonds (distance) C4'-P energy: -122.210
bonds (distance) P-C4' energy: -117.371
flat angles C4'-P-C4' energy: -101.476
flat angles P-C4'-P energy: -39.609
tors. eta vs tors. theta energy: 1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2408.393483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.393483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.393483 (E_RNA)
where:
Base-Base interactions energy: -1658.058
where: short stacking energy: -720.096
Base-Backbone interact. energy: -7.176
local terms energy: -743.159915
where:
bonds (distance) C4'-P energy: -135.641
bonds (distance) P-C4' energy: -149.406
flat angles C4'-P-C4' energy: -142.828
flat angles P-C4'-P energy: -104.720
tors. eta vs tors. theta energy: -210.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2392.008187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.008187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.008187 (E_RNA)
where:
Base-Base interactions energy: -1666.967
where: short stacking energy: -722.426
Base-Backbone interact. energy: -1.889
local terms energy: -723.152443
where:
bonds (distance) C4'-P energy: -141.852
bonds (distance) P-C4' energy: -134.404
flat angles C4'-P-C4' energy: -163.247
flat angles P-C4'-P energy: -80.242
tors. eta vs tors. theta energy: -203.408
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: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2302.177989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.177989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.177989 (E_RNA)
where:
Base-Base interactions energy: -1570.653
where: short stacking energy: -690.233
Base-Backbone interact. energy: -2.961
local terms energy: -728.564708
where:
bonds (distance) C4'-P energy: -128.200
bonds (distance) P-C4' energy: -138.542
flat angles C4'-P-C4' energy: -149.423
flat angles P-C4'-P energy: -105.417
tors. eta vs tors. theta energy: -206.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2206.753264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.753264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.753264 (E_RNA)
where:
Base-Base interactions energy: -1524.905
where: short stacking energy: -673.187
Base-Backbone interact. energy: -2.002
local terms energy: -679.846183
where:
bonds (distance) C4'-P energy: -117.781
bonds (distance) P-C4' energy: -134.942
flat angles C4'-P-C4' energy: -159.123
flat angles P-C4'-P energy: -75.574
tors. eta vs tors. theta energy: -192.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1984.405302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.405302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.405302 (E_RNA)
where:
Base-Base interactions energy: -1300.922
where: short stacking energy: -587.027
Base-Backbone interact. energy: -1.074
local terms energy: -682.409264
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -138.467
flat angles C4'-P-C4' energy: -168.576
flat angles P-C4'-P energy: -92.866
tors. eta vs tors. theta energy: -151.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1783.611905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.611905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.611905 (E_RNA)
where:
Base-Base interactions energy: -1177.431
where: short stacking energy: -540.901
Base-Backbone interact. energy: -0.826
local terms energy: -605.354466
where:
bonds (distance) C4'-P energy: -121.926
bonds (distance) P-C4' energy: -122.061
flat angles C4'-P-C4' energy: -148.242
flat angles P-C4'-P energy: -79.807
tors. eta vs tors. theta energy: -133.318
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: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1533.767416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.767416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.767416 (E_RNA)
where:
Base-Base interactions energy: -995.621
where: short stacking energy: -438.746
Base-Backbone interact. energy: -2.086
local terms energy: -536.060258
where:
bonds (distance) C4'-P energy: -119.169
bonds (distance) P-C4' energy: -119.510
flat angles C4'-P-C4' energy: -126.034
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -101.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1191.579407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.579407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.579407 (E_RNA)
where:
Base-Base interactions energy: -722.115
where: short stacking energy: -361.100
Base-Backbone interact. energy: -3.754
local terms energy: -465.710751
where:
bonds (distance) C4'-P energy: -96.763
bonds (distance) P-C4' energy: -116.004
flat angles C4'-P-C4' energy: -120.269
flat angles P-C4'-P energy: -88.615
tors. eta vs tors. theta energy: -44.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -746.020901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.020901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.020901 (E_RNA)
where:
Base-Base interactions energy: -354.363
where: short stacking energy: -217.677
Base-Backbone interact. energy: -1.951
local terms energy: -389.706944
where:
bonds (distance) C4'-P energy: -126.368
bonds (distance) P-C4' energy: -127.174
flat angles C4'-P-C4' energy: -86.212
flat angles P-C4'-P energy: -54.891
tors. eta vs tors. theta energy: 4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -692.729811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.729811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.729811 (E_RNA)
where:
Base-Base interactions energy: -345.911
where: short stacking energy: -224.429
Base-Backbone interact. energy: 7.979
local terms energy: -354.798091
where:
bonds (distance) C4'-P energy: -99.458
bonds (distance) P-C4' energy: -90.449
flat angles C4'-P-C4' energy: -93.150
flat angles P-C4'-P energy: -69.672
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2412.293827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.293827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.293827 (E_RNA)
where:
Base-Base interactions energy: -1659.869
where: short stacking energy: -689.071
Base-Backbone interact. energy: -1.904
local terms energy: -750.520788
where:
bonds (distance) C4'-P energy: -143.595
bonds (distance) P-C4' energy: -148.417
flat angles C4'-P-C4' energy: -147.211
flat angles P-C4'-P energy: -121.162
tors. eta vs tors. theta energy: -190.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2433.701518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.701518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.701518 (E_RNA)
where:
Base-Base interactions energy: -1694.466
where: short stacking energy: -749.448
Base-Backbone interact. energy: -1.842
local terms energy: -737.393224
where:
bonds (distance) C4'-P energy: -118.772
bonds (distance) P-C4' energy: -145.366
flat angles C4'-P-C4' energy: -162.863
flat angles P-C4'-P energy: -92.717
tors. eta vs tors. theta energy: -217.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2309.964061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.964061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.964061 (E_RNA)
where:
Base-Base interactions energy: -1558.039
where: short stacking energy: -682.885
Base-Backbone interact. energy: -6.645
local terms energy: -745.280061
where:
bonds (distance) C4'-P energy: -141.525
bonds (distance) P-C4' energy: -139.607
flat angles C4'-P-C4' energy: -165.125
flat angles P-C4'-P energy: -99.545
tors. eta vs tors. theta energy: -199.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2185.686589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.686589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.686589 (E_RNA)
where:
Base-Base interactions energy: -1521.318
where: short stacking energy: -645.683
Base-Backbone interact. energy: -2.725
local terms energy: -661.644002
where:
bonds (distance) C4'-P energy: -119.118
bonds (distance) P-C4' energy: -130.114
flat angles C4'-P-C4' energy: -154.923
flat angles P-C4'-P energy: -84.114
tors. eta vs tors. theta energy: -173.375
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2033.946600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.946600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.946600 (E_RNA)
where:
Base-Base interactions energy: -1364.174
where: short stacking energy: -602.925
Base-Backbone interact. energy: -6.955
local terms energy: -662.816833
where:
bonds (distance) C4'-P energy: -128.176
bonds (distance) P-C4' energy: -131.549
flat angles C4'-P-C4' energy: -134.423
flat angles P-C4'-P energy: -92.124
tors. eta vs tors. theta energy: -176.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1763.754135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.754135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.754135 (E_RNA)
where:
Base-Base interactions energy: -1161.207
where: short stacking energy: -553.006
Base-Backbone interact. energy: -0.196
local terms energy: -602.351394
where:
bonds (distance) C4'-P energy: -110.700
bonds (distance) P-C4' energy: -136.931
flat angles C4'-P-C4' energy: -130.505
flat angles P-C4'-P energy: -81.045
tors. eta vs tors. theta energy: -143.171
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: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1583.457397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.457397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.457397 (E_RNA)
where:
Base-Base interactions energy: -1019.264
where: short stacking energy: -465.587
Base-Backbone interact. energy: -1.359
local terms energy: -562.833754
where:
bonds (distance) C4'-P energy: -118.732
bonds (distance) P-C4' energy: -125.747
flat angles C4'-P-C4' energy: -138.909
flat angles P-C4'-P energy: -73.713
tors. eta vs tors. theta energy: -105.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1182.248728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.248728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.248728 (E_RNA)
where:
Base-Base interactions energy: -682.190
where: short stacking energy: -351.782
Base-Backbone interact. energy: -0.303
local terms energy: -499.755532
where:
bonds (distance) C4'-P energy: -111.535
bonds (distance) P-C4' energy: -132.467
flat angles C4'-P-C4' energy: -124.935
flat angles P-C4'-P energy: -62.327
tors. eta vs tors. theta energy: -68.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -782.637162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.637162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.637162 (E_RNA)
where:
Base-Base interactions energy: -383.415
where: short stacking energy: -211.311
Base-Backbone interact. energy: 3.366
local terms energy: -402.587788
where:
bonds (distance) C4'-P energy: -108.329
bonds (distance) P-C4' energy: -118.102
flat angles C4'-P-C4' energy: -117.910
flat angles P-C4'-P energy: -52.174
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -721.373591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.373591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.373591 (E_RNA)
where:
Base-Base interactions energy: -317.732
where: short stacking energy: -185.467
Base-Backbone interact. energy: 1.277
local terms energy: -404.918621
where:
bonds (distance) C4'-P energy: -113.334
bonds (distance) P-C4' energy: -119.931
flat angles C4'-P-C4' energy: -106.221
flat angles P-C4'-P energy: -61.881
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2474.095354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.095354 (E_RNA)
where:
Base-Base interactions energy: -1710.655
where: short stacking energy: -741.067
Base-Backbone interact. energy: -0.134
local terms energy: -763.306203
where:
bonds (distance) C4'-P energy: -140.646
bonds (distance) P-C4' energy: -136.521
flat angles C4'-P-C4' energy: -163.192
flat angles P-C4'-P energy: -109.487
tors. eta vs tors. theta energy: -213.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2322.288726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.288726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.288726 (E_RNA)
where:
Base-Base interactions energy: -1595.118
where: short stacking energy: -682.025
Base-Backbone interact. energy: -5.817
local terms energy: -721.353597
where:
bonds (distance) C4'-P energy: -144.131
bonds (distance) P-C4' energy: -132.376
flat angles C4'-P-C4' energy: -148.908
flat angles P-C4'-P energy: -98.530
tors. eta vs tors. theta energy: -197.409
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: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2316.039318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.039318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.039318 (E_RNA)
where:
Base-Base interactions energy: -1578.591
where: short stacking energy: -662.155
Base-Backbone interact. energy: -0.891
local terms energy: -736.556867
where:
bonds (distance) C4'-P energy: -138.412
bonds (distance) P-C4' energy: -139.042
flat angles C4'-P-C4' energy: -163.484
flat angles P-C4'-P energy: -104.056
tors. eta vs tors. theta energy: -191.563
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: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2160.281780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.281780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.281780 (E_RNA)
where:
Base-Base interactions energy: -1504.642
where: short stacking energy: -652.561
Base-Backbone interact. energy: -3.216
local terms energy: -652.424166
where:
bonds (distance) C4'-P energy: -104.800
bonds (distance) P-C4' energy: -125.252
flat angles C4'-P-C4' energy: -154.471
flat angles P-C4'-P energy: -93.710
tors. eta vs tors. theta energy: -174.191
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: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2077.746185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.746185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.746185 (E_RNA)
where:
Base-Base interactions energy: -1390.951
where: short stacking energy: -625.910
Base-Backbone interact. energy: -1.621
local terms energy: -685.175014
where:
bonds (distance) C4'-P energy: -122.228
bonds (distance) P-C4' energy: -135.719
flat angles C4'-P-C4' energy: -156.334
flat angles P-C4'-P energy: -95.732
tors. eta vs tors. theta energy: -175.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1766.870112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.870112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.870112 (E_RNA)
where:
Base-Base interactions energy: -1140.560
where: short stacking energy: -514.602
Base-Backbone interact. energy: 1.041
local terms energy: -627.350818
where:
bonds (distance) C4'-P energy: -134.838
bonds (distance) P-C4' energy: -141.162
flat angles C4'-P-C4' energy: -123.983
flat angles P-C4'-P energy: -97.880
tors. eta vs tors. theta energy: -129.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1549.095924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.095924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.095924 (E_RNA)
where:
Base-Base interactions energy: -1005.759
where: short stacking energy: -444.961
Base-Backbone interact. energy: 2.155
local terms energy: -545.492500
where:
bonds (distance) C4'-P energy: -110.839
bonds (distance) P-C4' energy: -127.320
flat angles C4'-P-C4' energy: -137.394
flat angles P-C4'-P energy: -70.973
tors. eta vs tors. theta energy: -98.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1180.342989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.342989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.342989 (E_RNA)
where:
Base-Base interactions energy: -716.657
where: short stacking energy: -344.016
Base-Backbone interact. energy: 0.170
local terms energy: -463.855629
where:
bonds (distance) C4'-P energy: -130.263
bonds (distance) P-C4' energy: -105.149
flat angles C4'-P-C4' energy: -119.845
flat angles P-C4'-P energy: -70.711
tors. eta vs tors. theta energy: -37.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -845.786280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.786280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.786280 (E_RNA)
where:
Base-Base interactions energy: -439.163
where: short stacking energy: -251.152
Base-Backbone interact. energy: 1.896
local terms energy: -408.519448
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -112.155
flat angles C4'-P-C4' energy: -112.814
flat angles P-C4'-P energy: -62.247
tors. eta vs tors. theta energy: 1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -743.028980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.028980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.028980 (E_RNA)
where:
Base-Base interactions energy: -350.874
where: short stacking energy: -204.938
Base-Backbone interact. energy: 2.062
local terms energy: -394.216790
where:
bonds (distance) C4'-P energy: -106.819
bonds (distance) P-C4' energy: -118.586
flat angles C4'-P-C4' energy: -93.671
flat angles P-C4'-P energy: -62.335
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2503.945013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.945013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.945013 (E_RNA)
where:
Base-Base interactions energy: -1698.698
where: short stacking energy: -737.623
Base-Backbone interact. energy: -4.987
local terms energy: -800.259897
where:
bonds (distance) C4'-P energy: -154.252
bonds (distance) P-C4' energy: -145.376
flat angles C4'-P-C4' energy: -167.865
flat angles P-C4'-P energy: -111.737
tors. eta vs tors. theta energy: -221.030
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: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2359.945743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.945743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.945743 (E_RNA)
where:
Base-Base interactions energy: -1597.712
where: short stacking energy: -705.241
Base-Backbone interact. energy: -4.121
local terms energy: -758.112169
where:
bonds (distance) C4'-P energy: -140.354
bonds (distance) P-C4' energy: -138.605
flat angles C4'-P-C4' energy: -159.071
flat angles P-C4'-P energy: -111.723
tors. eta vs tors. theta energy: -208.360
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: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2301.587128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.587128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.587128 (E_RNA)
where:
Base-Base interactions energy: -1586.094
where: short stacking energy: -675.455
Base-Backbone interact. energy: -1.732
local terms energy: -713.761597
where:
bonds (distance) C4'-P energy: -124.136
bonds (distance) P-C4' energy: -138.214
flat angles C4'-P-C4' energy: -150.620
flat angles P-C4'-P energy: -104.599
tors. eta vs tors. theta energy: -196.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2168.247753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.247753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.247753 (E_RNA)
where:
Base-Base interactions energy: -1519.623
where: short stacking energy: -626.336
Base-Backbone interact. energy: -1.837
local terms energy: -646.787029
where:
bonds (distance) C4'-P energy: -126.751
bonds (distance) P-C4' energy: -126.030
flat angles C4'-P-C4' energy: -135.538
flat angles P-C4'-P energy: -86.166
tors. eta vs tors. theta energy: -172.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2057.881814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.881814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.881814 (E_RNA)
where:
Base-Base interactions energy: -1393.166
where: short stacking energy: -596.652
Base-Backbone interact. energy: -3.011
local terms energy: -661.704732
where:
bonds (distance) C4'-P energy: -116.711
bonds (distance) P-C4' energy: -126.969
flat angles C4'-P-C4' energy: -145.473
flat angles P-C4'-P energy: -93.601
tors. eta vs tors. theta energy: -178.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1729.095689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.095689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.095689 (E_RNA)
where:
Base-Base interactions energy: -1145.019
where: short stacking energy: -511.364
Base-Backbone interact. energy: -1.818
local terms energy: -582.258333
where:
bonds (distance) C4'-P energy: -119.148
bonds (distance) P-C4' energy: -111.026
flat angles C4'-P-C4' energy: -127.033
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -136.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1514.281302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.281302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.281302 (E_RNA)
where:
Base-Base interactions energy: -955.184
where: short stacking energy: -458.376
Base-Backbone interact. energy: -3.052
local terms energy: -556.045488
where:
bonds (distance) C4'-P energy: -115.805
bonds (distance) P-C4' energy: -129.184
flat angles C4'-P-C4' energy: -132.594
flat angles P-C4'-P energy: -82.386
tors. eta vs tors. theta energy: -96.076
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: 131
Temperature: 1.250000
Total energy: -1222.215224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.215224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.215224 (E_RNA)
where:
Base-Base interactions energy: -745.269
where: short stacking energy: -360.067
Base-Backbone interact. energy: 7.794
local terms energy: -484.739784
where:
bonds (distance) C4'-P energy: -116.518
bonds (distance) P-C4' energy: -121.702
flat angles C4'-P-C4' energy: -103.652
flat angles P-C4'-P energy: -76.614
tors. eta vs tors. theta energy: -66.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -823.653979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.653979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.653979 (E_RNA)
where:
Base-Base interactions energy: -426.193
where: short stacking energy: -216.722
Base-Backbone interact. energy: 2.484
local terms energy: -399.945101
where:
bonds (distance) C4'-P energy: -109.043
bonds (distance) P-C4' energy: -124.844
flat angles C4'-P-C4' energy: -107.614
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: 5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -755.639966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.639966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.639966 (E_RNA)
where:
Base-Base interactions energy: -372.361
where: short stacking energy: -191.765
Base-Backbone interact. energy: -1.028
local terms energy: -382.251672
where:
bonds (distance) C4'-P energy: -124.266
bonds (distance) P-C4' energy: -97.896
flat angles C4'-P-C4' energy: -105.271
flat angles P-C4'-P energy: -63.717
tors. eta vs tors. theta energy: 8.898
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: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2488.128942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.128942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.128942 (E_RNA)
where:
Base-Base interactions energy: -1719.162
where: short stacking energy: -742.618
Base-Backbone interact. energy: 0.205
local terms energy: -769.171923
where:
bonds (distance) C4'-P energy: -129.483
bonds (distance) P-C4' energy: -160.871
flat angles C4'-P-C4' energy: -161.114
flat angles P-C4'-P energy: -98.550
tors. eta vs tors. theta energy: -219.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2351.895308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.895308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.895308 (E_RNA)
where:
Base-Base interactions energy: -1621.000
where: short stacking energy: -691.516
Base-Backbone interact. energy: 1.858
local terms energy: -732.753420
where:
bonds (distance) C4'-P energy: -139.087
bonds (distance) P-C4' energy: -139.888
flat angles C4'-P-C4' energy: -157.317
flat angles P-C4'-P energy: -102.032
tors. eta vs tors. theta energy: -194.429
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: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2326.321159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.321159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.321159 (E_RNA)
where:
Base-Base interactions energy: -1598.210
where: short stacking energy: -718.917
Base-Backbone interact. energy: -6.403
local terms energy: -721.708207
where:
bonds (distance) C4'-P energy: -136.098
bonds (distance) P-C4' energy: -132.372
flat angles C4'-P-C4' energy: -154.180
flat angles P-C4'-P energy: -90.613
tors. eta vs tors. theta energy: -208.446
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: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2210.256481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.256481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.256481 (E_RNA)
where:
Base-Base interactions energy: -1531.281
where: short stacking energy: -642.182
Base-Backbone interact. energy: 4.586
local terms energy: -683.562069
where:
bonds (distance) C4'-P energy: -128.112
bonds (distance) P-C4' energy: -127.703
flat angles C4'-P-C4' energy: -157.590
flat angles P-C4'-P energy: -94.104
tors. eta vs tors. theta energy: -176.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2017.856765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.856765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.856765 (E_RNA)
where:
Base-Base interactions energy: -1351.808
where: short stacking energy: -614.615
Base-Backbone interact. energy: 6.705
local terms energy: -672.753460
where:
bonds (distance) C4'-P energy: -123.225
bonds (distance) P-C4' energy: -128.388
flat angles C4'-P-C4' energy: -149.546
flat angles P-C4'-P energy: -90.830
tors. eta vs tors. theta energy: -180.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1751.594886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.594886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.594886 (E_RNA)
where:
Base-Base interactions energy: -1149.028
where: short stacking energy: -521.880
Base-Backbone interact. energy: -0.799
local terms energy: -601.767331
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -122.651
flat angles C4'-P-C4' energy: -136.431
flat angles P-C4'-P energy: -103.169
tors. eta vs tors. theta energy: -144.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1467.286846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.286846 (E_RNA)
where:
Base-Base interactions energy: -946.392
where: short stacking energy: -415.578
Base-Backbone interact. energy: -4.056
local terms energy: -516.838633
where:
bonds (distance) C4'-P energy: -105.754
bonds (distance) P-C4' energy: -121.326
flat angles C4'-P-C4' energy: -115.428
flat angles P-C4'-P energy: -89.814
tors. eta vs tors. theta energy: -84.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1202.582146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.582146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.582146 (E_RNA)
where:
Base-Base interactions energy: -715.629
where: short stacking energy: -354.839
Base-Backbone interact. energy: 3.775
local terms energy: -490.727490
where:
bonds (distance) C4'-P energy: -112.987
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -113.157
flat angles P-C4'-P energy: -72.592
tors. eta vs tors. theta energy: -61.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -853.231253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.231253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.231253 (E_RNA)
where:
Base-Base interactions energy: -446.227
where: short stacking energy: -256.869
Base-Backbone interact. energy: 5.881
local terms energy: -412.884597
where:
bonds (distance) C4'-P energy: -115.987
bonds (distance) P-C4' energy: -128.656
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -49.797
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -721.870729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.870729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.870729 (E_RNA)
where:
Base-Base interactions energy: -320.055
where: short stacking energy: -184.538
Base-Backbone interact. energy: 10.244
local terms energy: -412.059388
where:
bonds (distance) C4'-P energy: -122.430
bonds (distance) P-C4' energy: -118.779
flat angles C4'-P-C4' energy: -128.699
flat angles P-C4'-P energy: -56.054
tors. eta vs tors. theta energy: 13.902
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: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2507.338209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.338209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.338209 (E_RNA)
where:
Base-Base interactions energy: -1714.235
where: short stacking energy: -721.253
Base-Backbone interact. energy: -1.316
local terms energy: -791.787540
where:
bonds (distance) C4'-P energy: -143.486
bonds (distance) P-C4' energy: -149.272
flat angles C4'-P-C4' energy: -162.912
flat angles P-C4'-P energy: -118.657
tors. eta vs tors. theta energy: -217.461
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: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2362.119279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.119279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.119279 (E_RNA)
where:
Base-Base interactions energy: -1610.169
where: short stacking energy: -705.192
Base-Backbone interact. energy: -5.840
local terms energy: -746.110891
where:
bonds (distance) C4'-P energy: -130.633
bonds (distance) P-C4' energy: -137.065
flat angles C4'-P-C4' energy: -169.676
flat angles P-C4'-P energy: -96.807
tors. eta vs tors. theta energy: -211.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2299.047912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.047912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.047912 (E_RNA)
where:
Base-Base interactions energy: -1553.343
where: short stacking energy: -678.967
Base-Backbone interact. energy: -3.294
local terms energy: -742.411385
where:
bonds (distance) C4'-P energy: -138.513
bonds (distance) P-C4' energy: -135.400
flat angles C4'-P-C4' energy: -160.957
flat angles P-C4'-P energy: -105.351
tors. eta vs tors. theta energy: -202.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2218.568435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.568435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.568435 (E_RNA)
where:
Base-Base interactions energy: -1529.660
where: short stacking energy: -654.613
Base-Backbone interact. energy: -2.214
local terms energy: -686.694560
where:
bonds (distance) C4'-P energy: -132.640
bonds (distance) P-C4' energy: -125.200
flat angles C4'-P-C4' energy: -158.636
flat angles P-C4'-P energy: -94.540
tors. eta vs tors. theta energy: -175.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2031.560695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.560695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.560695 (E_RNA)
where:
Base-Base interactions energy: -1368.510
where: short stacking energy: -612.147
Base-Backbone interact. energy: -2.911
local terms energy: -660.139757
where:
bonds (distance) C4'-P energy: -126.161
bonds (distance) P-C4' energy: -139.355
flat angles C4'-P-C4' energy: -141.508
flat angles P-C4'-P energy: -87.691
tors. eta vs tors. theta energy: -165.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1839.945661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.945661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.945661 (E_RNA)
where:
Base-Base interactions energy: -1209.266
where: short stacking energy: -538.369
Base-Backbone interact. energy: -2.759
local terms energy: -627.920664
where:
bonds (distance) C4'-P energy: -128.602
bonds (distance) P-C4' energy: -116.846
flat angles C4'-P-C4' energy: -130.931
flat angles P-C4'-P energy: -101.173
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: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1503.452200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.452200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.452200 (E_RNA)
where:
Base-Base interactions energy: -991.914
where: short stacking energy: -432.599
Base-Backbone interact. energy: -1.262
local terms energy: -510.276566
where:
bonds (distance) C4'-P energy: -115.912
bonds (distance) P-C4' energy: -117.692
flat angles C4'-P-C4' energy: -117.745
flat angles P-C4'-P energy: -68.612
tors. eta vs tors. theta energy: -90.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1139.419069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.419069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.419069 (E_RNA)
where:
Base-Base interactions energy: -645.431
where: short stacking energy: -337.266
Base-Backbone interact. energy: -0.735
local terms energy: -493.253457
where:
bonds (distance) C4'-P energy: -113.874
bonds (distance) P-C4' energy: -144.788
flat angles C4'-P-C4' energy: -108.420
flat angles P-C4'-P energy: -76.439
tors. eta vs tors. theta energy: -49.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -809.892074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.892074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.892074 (E_RNA)
where:
Base-Base interactions energy: -401.952
where: short stacking energy: -224.069
Base-Backbone interact. energy: 1.396
local terms energy: -409.336093
where:
bonds (distance) C4'-P energy: -124.228
bonds (distance) P-C4' energy: -97.421
flat angles C4'-P-C4' energy: -108.300
flat angles P-C4'-P energy: -61.615
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -761.503379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.503379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.503379 (E_RNA)
where:
Base-Base interactions energy: -366.845
where: short stacking energy: -216.519
Base-Backbone interact. energy: -1.971
local terms energy: -392.687313
where:
bonds (distance) C4'-P energy: -106.626
bonds (distance) P-C4' energy: -128.700
flat angles C4'-P-C4' energy: -105.244
flat angles P-C4'-P energy: -51.661
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: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2492.305856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.305856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.305856 (E_RNA)
where:
Base-Base interactions energy: -1724.186
where: short stacking energy: -755.792
Base-Backbone interact. energy: -4.002
local terms energy: -764.117805
where:
bonds (distance) C4'-P energy: -138.700
bonds (distance) P-C4' energy: -147.920
flat angles C4'-P-C4' energy: -159.749
flat angles P-C4'-P energy: -106.493
tors. eta vs tors. theta energy: -211.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2385.434378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.434378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.434378 (E_RNA)
where:
Base-Base interactions energy: -1615.332
where: short stacking energy: -703.893
Base-Backbone interact. energy: -7.955
local terms energy: -762.146845
where:
bonds (distance) C4'-P energy: -146.374
bonds (distance) P-C4' energy: -146.397
flat angles C4'-P-C4' energy: -147.118
flat angles P-C4'-P energy: -104.683
tors. eta vs tors. theta energy: -217.575
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: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2306.102192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.102192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.102192 (E_RNA)
where:
Base-Base interactions energy: -1597.785
where: short stacking energy: -644.276
Base-Backbone interact. energy: -3.493
local terms energy: -704.824583
where:
bonds (distance) C4'-P energy: -129.939
bonds (distance) P-C4' energy: -127.331
flat angles C4'-P-C4' energy: -149.278
flat angles P-C4'-P energy: -104.594
tors. eta vs tors. theta energy: -193.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2237.894714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.894714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.894714 (E_RNA)
where:
Base-Base interactions energy: -1556.179
where: short stacking energy: -651.211
Base-Backbone interact. energy: -0.446
local terms energy: -681.270418
where:
bonds (distance) C4'-P energy: -122.713
bonds (distance) P-C4' energy: -137.786
flat angles C4'-P-C4' energy: -140.624
flat angles P-C4'-P energy: -95.373
tors. eta vs tors. theta energy: -184.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2024.017137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.017137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.017137 (E_RNA)
where:
Base-Base interactions energy: -1352.915
where: short stacking energy: -615.861
Base-Backbone interact. energy: -3.267
local terms energy: -667.835645
where:
bonds (distance) C4'-P energy: -132.108
bonds (distance) P-C4' energy: -119.600
flat angles C4'-P-C4' energy: -142.894
flat angles P-C4'-P energy: -99.794
tors. eta vs tors. theta energy: -173.439
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: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1747.403752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.403752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.403752 (E_RNA)
where:
Base-Base interactions energy: -1162.264
where: short stacking energy: -521.416
Base-Backbone interact. energy: 3.194
local terms energy: -588.334493
where:
bonds (distance) C4'-P energy: -111.980
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -134.542
flat angles P-C4'-P energy: -98.107
tors. eta vs tors. theta energy: -125.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1469.417478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.417478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.417478 (E_RNA)
where:
Base-Base interactions energy: -944.938
where: short stacking energy: -437.876
Base-Backbone interact. energy: 4.536
local terms energy: -529.015591
where:
bonds (distance) C4'-P energy: -115.708
bonds (distance) P-C4' energy: -116.537
flat angles C4'-P-C4' energy: -124.249
flat angles P-C4'-P energy: -79.688
tors. eta vs tors. theta energy: -92.834
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: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1134.089339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.089339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.089339 (E_RNA)
where:
Base-Base interactions energy: -660.444
where: short stacking energy: -331.009
Base-Backbone interact. energy: -1.303
local terms energy: -472.342347
where:
bonds (distance) C4'-P energy: -121.818
bonds (distance) P-C4' energy: -117.173
flat angles C4'-P-C4' energy: -117.106
flat angles P-C4'-P energy: -68.165
tors. eta vs tors. theta energy: -48.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -862.477653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.477653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.477653 (E_RNA)
where:
Base-Base interactions energy: -450.168
where: short stacking energy: -237.688
Base-Backbone interact. energy: -1.530
local terms energy: -410.779047
where:
bonds (distance) C4'-P energy: -123.459
bonds (distance) P-C4' energy: -113.477
flat angles C4'-P-C4' energy: -100.189
flat angles P-C4'-P energy: -55.788
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -799.243321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.243321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.243321 (E_RNA)
where:
Base-Base interactions energy: -409.123
where: short stacking energy: -228.098
Base-Backbone interact. energy: 4.009
local terms energy: -394.129265
where:
bonds (distance) C4'-P energy: -111.834
bonds (distance) P-C4' energy: -125.130
flat angles C4'-P-C4' energy: -95.981
flat angles P-C4'-P energy: -49.521
tors. eta vs tors. theta energy: -11.662
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: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2508.410096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.410096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.410096 (E_RNA)
where:
Base-Base interactions energy: -1735.376
where: short stacking energy: -738.126
Base-Backbone interact. energy: -3.454
local terms energy: -769.579893
where:
bonds (distance) C4'-P energy: -135.394
bonds (distance) P-C4' energy: -157.395
flat angles C4'-P-C4' energy: -162.065
flat angles P-C4'-P energy: -103.451
tors. eta vs tors. theta energy: -211.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2388.896684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.896684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.896684 (E_RNA)
where:
Base-Base interactions energy: -1619.576
where: short stacking energy: -705.829
Base-Backbone interact. energy: -4.967
local terms energy: -764.353626
where:
bonds (distance) C4'-P energy: -138.415
bonds (distance) P-C4' energy: -136.462
flat angles C4'-P-C4' energy: -157.279
flat angles P-C4'-P energy: -118.146
tors. eta vs tors. theta energy: -214.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2279.034156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.034156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.034156 (E_RNA)
where:
Base-Base interactions energy: -1547.454
where: short stacking energy: -625.059
Base-Backbone interact. energy: -2.187
local terms energy: -729.393375
where:
bonds (distance) C4'-P energy: -134.985
bonds (distance) P-C4' energy: -140.541
flat angles C4'-P-C4' energy: -158.476
flat angles P-C4'-P energy: -106.555
tors. eta vs tors. theta energy: -188.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2235.362891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.362891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.362891 (E_RNA)
where:
Base-Base interactions energy: -1548.526
where: short stacking energy: -668.508
Base-Backbone interact. energy: -2.958
local terms energy: -683.879081
where:
bonds (distance) C4'-P energy: -114.461
bonds (distance) P-C4' energy: -119.629
flat angles C4'-P-C4' energy: -146.024
flat angles P-C4'-P energy: -103.326
tors. eta vs tors. theta energy: -200.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2069.330666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.330666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.330666 (E_RNA)
where:
Base-Base interactions energy: -1407.935
where: short stacking energy: -628.711
Base-Backbone interact. energy: -0.368
local terms energy: -661.027960
where:
bonds (distance) C4'-P energy: -122.605
bonds (distance) P-C4' energy: -127.130
flat angles C4'-P-C4' energy: -147.865
flat angles P-C4'-P energy: -90.075
tors. eta vs tors. theta energy: -173.352
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: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1773.830646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.830646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.830646 (E_RNA)
where:
Base-Base interactions energy: -1196.996
where: short stacking energy: -543.934
Base-Backbone interact. energy: -2.595
local terms energy: -574.239913
where:
bonds (distance) C4'-P energy: -105.072
bonds (distance) P-C4' energy: -111.934
flat angles C4'-P-C4' energy: -143.322
flat angles P-C4'-P energy: -78.734
tors. eta vs tors. theta energy: -135.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1509.607704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.607704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.607704 (E_RNA)
where:
Base-Base interactions energy: -948.273
where: short stacking energy: -413.750
Base-Backbone interact. energy: -1.052
local terms energy: -560.282986
where:
bonds (distance) C4'-P energy: -122.474
bonds (distance) P-C4' energy: -131.736
flat angles C4'-P-C4' energy: -134.093
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -92.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1128.081561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.081561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.081561 (E_RNA)
where:
Base-Base interactions energy: -669.103
where: short stacking energy: -352.913
Base-Backbone interact. energy: -2.529
local terms energy: -456.449168
where:
bonds (distance) C4'-P energy: -114.789
bonds (distance) P-C4' energy: -111.978
flat angles C4'-P-C4' energy: -97.971
flat angles P-C4'-P energy: -67.370
tors. eta vs tors. theta energy: -64.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -863.246341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.246341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.246341 (E_RNA)
where:
Base-Base interactions energy: -472.868
where: short stacking energy: -239.381
Base-Backbone interact. energy: -2.817
local terms energy: -387.561561
where:
bonds (distance) C4'-P energy: -104.608
bonds (distance) P-C4' energy: -102.507
flat angles C4'-P-C4' energy: -118.981
flat angles P-C4'-P energy: -62.250
tors. eta vs tors. theta energy: 0.784
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: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -852.599671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.599671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.599671 (E_RNA)
where:
Base-Base interactions energy: -467.536
where: short stacking energy: -236.331
Base-Backbone interact. energy: -0.357
local terms energy: -384.706222
where:
bonds (distance) C4'-P energy: -96.982
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -104.193
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2512.086085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.086085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.086085 (E_RNA)
where:
Base-Base interactions energy: -1767.019
where: short stacking energy: -735.675
Base-Backbone interact. energy: -5.749
local terms energy: -739.317413
where:
bonds (distance) C4'-P energy: -118.195
bonds (distance) P-C4' energy: -140.899
flat angles C4'-P-C4' energy: -162.951
flat angles P-C4'-P energy: -102.700
tors. eta vs tors. theta energy: -214.572
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: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2356.597352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.597352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.597352 (E_RNA)
where:
Base-Base interactions energy: -1572.907
where: short stacking energy: -719.754
Base-Backbone interact. energy: -2.162
local terms energy: -781.528274
where:
bonds (distance) C4'-P energy: -133.290
bonds (distance) P-C4' energy: -141.768
flat angles C4'-P-C4' energy: -164.552
flat angles P-C4'-P energy: -115.024
tors. eta vs tors. theta energy: -226.894
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: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2309.399179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.399179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.399179 (E_RNA)
where:
Base-Base interactions energy: -1588.183
where: short stacking energy: -651.286
Base-Backbone interact. energy: -5.258
local terms energy: -715.958552
where:
bonds (distance) C4'-P energy: -139.318
bonds (distance) P-C4' energy: -131.816
flat angles C4'-P-C4' energy: -154.609
flat angles P-C4'-P energy: -97.637
tors. eta vs tors. theta energy: -192.578
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: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2224.575473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.575473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.575473 (E_RNA)
where:
Base-Base interactions energy: -1529.876
where: short stacking energy: -626.144
Base-Backbone interact. energy: -0.978
local terms energy: -693.722039
where:
bonds (distance) C4'-P energy: -132.451
bonds (distance) P-C4' energy: -117.306
flat angles C4'-P-C4' energy: -161.154
flat angles P-C4'-P energy: -98.783
tors. eta vs tors. theta energy: -184.028
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: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2048.189592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.189592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.189592 (E_RNA)
where:
Base-Base interactions energy: -1372.556
where: short stacking energy: -644.315
Base-Backbone interact. energy: 2.567
local terms energy: -678.200249
where:
bonds (distance) C4'-P energy: -130.455
bonds (distance) P-C4' energy: -135.535
flat angles C4'-P-C4' energy: -148.190
flat angles P-C4'-P energy: -88.888
tors. eta vs tors. theta energy: -175.132
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: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1746.869463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.869463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.869463 (E_RNA)
where:
Base-Base interactions energy: -1159.803
where: short stacking energy: -525.590
Base-Backbone interact. energy: 0.273
local terms energy: -587.339379
where:
bonds (distance) C4'-P energy: -117.215
bonds (distance) P-C4' energy: -123.643
flat angles C4'-P-C4' energy: -123.853
flat angles P-C4'-P energy: -89.786
tors. eta vs tors. theta energy: -132.842
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: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1530.291191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.291191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.291191 (E_RNA)
where:
Base-Base interactions energy: -976.196
where: short stacking energy: -435.051
Base-Backbone interact. energy: -0.924
local terms energy: -553.171319
where:
bonds (distance) C4'-P energy: -124.091
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -119.236
flat angles P-C4'-P energy: -91.680
tors. eta vs tors. theta energy: -105.451
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: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1121.753815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.753815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.753815 (E_RNA)
where:
Base-Base interactions energy: -645.883
where: short stacking energy: -350.755
Base-Backbone interact. energy: 1.464
local terms energy: -477.334696
where:
bonds (distance) C4'-P energy: -114.101
bonds (distance) P-C4' energy: -130.037
flat angles C4'-P-C4' energy: -116.639
flat angles P-C4'-P energy: -59.140
tors. eta vs tors. theta energy: -57.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -923.880091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.880091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.880091 (E_RNA)
where:
Base-Base interactions energy: -491.890
where: short stacking energy: -272.877
Base-Backbone interact. energy: -3.134
local terms energy: -428.855491
where:
bonds (distance) C4'-P energy: -103.595
bonds (distance) P-C4' energy: -126.464
flat angles C4'-P-C4' energy: -116.340
flat angles P-C4'-P energy: -63.965
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -895.074017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.074017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.074017 (E_RNA)
where:
Base-Base interactions energy: -479.623
where: short stacking energy: -255.706
Base-Backbone interact. energy: -0.104
local terms energy: -415.347122
where:
bonds (distance) C4'-P energy: -115.689
bonds (distance) P-C4' energy: -125.107
flat angles C4'-P-C4' energy: -92.053
flat angles P-C4'-P energy: -80.172
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2552.791090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.791090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.791090 (E_RNA)
where:
Base-Base interactions energy: -1765.357
where: short stacking energy: -743.435
Base-Backbone interact. energy: -4.453
local terms energy: -782.980368
where:
bonds (distance) C4'-P energy: -144.305
bonds (distance) P-C4' energy: -156.004
flat angles C4'-P-C4' energy: -161.786
flat angles P-C4'-P energy: -111.220
tors. eta vs tors. theta energy: -209.665
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: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2378.132404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.132404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.132404 (E_RNA)
where:
Base-Base interactions energy: -1619.414
where: short stacking energy: -718.036
Base-Backbone interact. energy: -4.113
local terms energy: -754.605557
where:
bonds (distance) C4'-P energy: -129.597
bonds (distance) P-C4' energy: -151.702
flat angles C4'-P-C4' energy: -166.596
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -212.225
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: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2311.688067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.688067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.688067 (E_RNA)
where:
Base-Base interactions energy: -1609.868
where: short stacking energy: -669.705
Base-Backbone interact. energy: -1.217
local terms energy: -700.602814
where:
bonds (distance) C4'-P energy: -145.724
bonds (distance) P-C4' energy: -137.731
flat angles C4'-P-C4' energy: -144.122
flat angles P-C4'-P energy: -91.961
tors. eta vs tors. theta energy: -181.065
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: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2269.456672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.456672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.456672 (E_RNA)
where:
Base-Base interactions energy: -1565.836
where: short stacking energy: -647.062
Base-Backbone interact. energy: 1.802
local terms energy: -705.422507
where:
bonds (distance) C4'-P energy: -125.469
bonds (distance) P-C4' energy: -140.348
flat angles C4'-P-C4' energy: -153.494
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -179.854
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: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2021.786128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.786128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.786128 (E_RNA)
where:
Base-Base interactions energy: -1364.274
where: short stacking energy: -606.807
Base-Backbone interact. energy: -2.237
local terms energy: -655.275570
where:
bonds (distance) C4'-P energy: -118.343
bonds (distance) P-C4' energy: -118.388
flat angles C4'-P-C4' energy: -154.035
flat angles P-C4'-P energy: -90.591
tors. eta vs tors. theta energy: -173.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1759.095754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.095754 (E_RNA)
where:
Base-Base interactions energy: -1172.087
where: short stacking energy: -534.463
Base-Backbone interact. energy: 3.444
local terms energy: -590.452497
where:
bonds (distance) C4'-P energy: -125.226
bonds (distance) P-C4' energy: -113.130
flat angles C4'-P-C4' energy: -139.632
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -136.553
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: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1518.336062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.336062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.336062 (E_RNA)
where:
Base-Base interactions energy: -993.932
where: short stacking energy: -440.643
Base-Backbone interact. energy: 0.874
local terms energy: -525.277892
where:
bonds (distance) C4'-P energy: -110.476
bonds (distance) P-C4' energy: -127.479
flat angles C4'-P-C4' energy: -132.334
flat angles P-C4'-P energy: -55.771
tors. eta vs tors. theta energy: -99.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1104.812718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.812718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.812718 (E_RNA)
where:
Base-Base interactions energy: -617.794
where: short stacking energy: -304.464
Base-Backbone interact. energy: -0.586
local terms energy: -486.432714
where:
bonds (distance) C4'-P energy: -131.034
bonds (distance) P-C4' energy: -141.970
flat angles C4'-P-C4' energy: -108.323
flat angles P-C4'-P energy: -72.307
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -880.156990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.156990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.156990 (E_RNA)
where:
Base-Base interactions energy: -490.408
where: short stacking energy: -262.755
Base-Backbone interact. energy: 5.952
local terms energy: -395.701869
where:
bonds (distance) C4'-P energy: -108.693
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -107.172
flat angles P-C4'-P energy: -64.918
tors. eta vs tors. theta energy: 1.488
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: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -806.334876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.334876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.334876 (E_RNA)
where:
Base-Base interactions energy: -402.778
where: short stacking energy: -230.041
Base-Backbone interact. energy: 2.712
local terms energy: -406.269274
where:
bonds (distance) C4'-P energy: -118.577
bonds (distance) P-C4' energy: -120.942
flat angles C4'-P-C4' energy: -110.447
flat angles P-C4'-P energy: -52.931
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2552.472149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.472149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.472149 (E_RNA)
where:
Base-Base interactions energy: -1772.217
where: short stacking energy: -754.260
Base-Backbone interact. energy: -0.821
local terms energy: -779.433779
where:
bonds (distance) C4'-P energy: -148.007
bonds (distance) P-C4' energy: -141.327
flat angles C4'-P-C4' energy: -162.974
flat angles P-C4'-P energy: -99.342
tors. eta vs tors. theta energy: -227.783
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: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2394.354965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.354965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.354965 (E_RNA)
where:
Base-Base interactions energy: -1643.707
where: short stacking energy: -747.515
Base-Backbone interact. energy: -1.492
local terms energy: -749.156480
where:
bonds (distance) C4'-P energy: -115.839
bonds (distance) P-C4' energy: -152.438
flat angles C4'-P-C4' energy: -157.674
flat angles P-C4'-P energy: -97.547
tors. eta vs tors. theta energy: -225.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2271.313864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.313864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.313864 (E_RNA)
where:
Base-Base interactions energy: -1596.039
where: short stacking energy: -678.454
Base-Backbone interact. energy: -0.096
local terms energy: -675.178920
where:
bonds (distance) C4'-P energy: -123.227
bonds (distance) P-C4' energy: -131.279
flat angles C4'-P-C4' energy: -145.195
flat angles P-C4'-P energy: -95.461
tors. eta vs tors. theta energy: -180.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2193.924944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.924944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.924944 (E_RNA)
where:
Base-Base interactions energy: -1514.107
where: short stacking energy: -665.124
Base-Backbone interact. energy: -2.443
local terms energy: -677.374930
where:
bonds (distance) C4'-P energy: -122.732
bonds (distance) P-C4' energy: -127.883
flat angles C4'-P-C4' energy: -150.064
flat angles P-C4'-P energy: -87.067
tors. eta vs tors. theta energy: -189.629
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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2002.338185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.338185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.338185 (E_RNA)
where:
Base-Base interactions energy: -1350.144
where: short stacking energy: -596.197
Base-Backbone interact. energy: 2.070
local terms energy: -654.264333
where:
bonds (distance) C4'-P energy: -123.944
bonds (distance) P-C4' energy: -127.034
flat angles C4'-P-C4' energy: -142.940
flat angles P-C4'-P energy: -86.147
tors. eta vs tors. theta energy: -174.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1759.388984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.388984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.388984 (E_RNA)
where:
Base-Base interactions energy: -1156.196
where: short stacking energy: -514.110
Base-Backbone interact. energy: -0.539
local terms energy: -602.653480
where:
bonds (distance) C4'-P energy: -130.550
bonds (distance) P-C4' energy: -122.279
flat angles C4'-P-C4' energy: -135.024
flat angles P-C4'-P energy: -98.101
tors. eta vs tors. theta energy: -116.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1525.057752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.057752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.057752 (E_RNA)
where:
Base-Base interactions energy: -982.393
where: short stacking energy: -436.586
Base-Backbone interact. energy: -2.061
local terms energy: -540.603084
where:
bonds (distance) C4'-P energy: -126.870
bonds (distance) P-C4' energy: -110.988
flat angles C4'-P-C4' energy: -134.019
flat angles P-C4'-P energy: -73.586
tors. eta vs tors. theta energy: -95.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1161.027481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.027481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.027481 (E_RNA)
where:
Base-Base interactions energy: -682.234
where: short stacking energy: -341.579
Base-Backbone interact. energy: -3.349
local terms energy: -475.444736
where:
bonds (distance) C4'-P energy: -113.606
bonds (distance) P-C4' energy: -124.609
flat angles C4'-P-C4' energy: -118.637
flat angles P-C4'-P energy: -64.343
tors. eta vs tors. theta energy: -54.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -855.005578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.005578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.005578 (E_RNA)
where:
Base-Base interactions energy: -435.959
where: short stacking energy: -252.863
Base-Backbone interact. energy: -1.474
local terms energy: -417.572927
where:
bonds (distance) C4'-P energy: -108.056
bonds (distance) P-C4' energy: -128.294
flat angles C4'-P-C4' energy: -104.506
flat angles P-C4'-P energy: -55.543
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -769.184607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.184607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.184607 (E_RNA)
where:
Base-Base interactions energy: -359.079
where: short stacking energy: -209.547
Base-Backbone interact. energy: 4.116
local terms energy: -414.221806
where:
bonds (distance) C4'-P energy: -127.021
bonds (distance) P-C4' energy: -108.487
flat angles C4'-P-C4' energy: -118.961
flat angles P-C4'-P energy: -61.928
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2513.591903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.591903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.591903 (E_RNA)
where:
Base-Base interactions energy: -1745.466
where: short stacking energy: -751.001
Base-Backbone interact. energy: -0.631
local terms energy: -767.495391
where:
bonds (distance) C4'-P energy: -139.716
bonds (distance) P-C4' energy: -142.794
flat angles C4'-P-C4' energy: -158.239
flat angles P-C4'-P energy: -102.613
tors. eta vs tors. theta energy: -224.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2394.065880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.065880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.065880 (E_RNA)
where:
Base-Base interactions energy: -1631.054
where: short stacking energy: -736.635
Base-Backbone interact. energy: -4.445
local terms energy: -758.566785
where:
bonds (distance) C4'-P energy: -131.148
bonds (distance) P-C4' energy: -145.035
flat angles C4'-P-C4' energy: -158.501
flat angles P-C4'-P energy: -109.901
tors. eta vs tors. theta energy: -213.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2294.276499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.276499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.276499 (E_RNA)
where:
Base-Base interactions energy: -1588.300
where: short stacking energy: -685.723
Base-Backbone interact. energy: -2.670
local terms energy: -703.305628
where:
bonds (distance) C4'-P energy: -125.722
bonds (distance) P-C4' energy: -140.312
flat angles C4'-P-C4' energy: -146.296
flat angles P-C4'-P energy: -93.202
tors. eta vs tors. theta energy: -197.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2202.754923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.754923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.754923 (E_RNA)
where:
Base-Base interactions energy: -1512.858
where: short stacking energy: -636.777
Base-Backbone interact. energy: -2.631
local terms energy: -687.266709
where:
bonds (distance) C4'-P energy: -142.163
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -148.627
flat angles P-C4'-P energy: -88.406
tors. eta vs tors. theta energy: -184.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1992.892195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.892195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.892195 (E_RNA)
where:
Base-Base interactions energy: -1316.778
where: short stacking energy: -586.554
Base-Backbone interact. energy: -2.714
local terms energy: -673.400613
where:
bonds (distance) C4'-P energy: -142.378
bonds (distance) P-C4' energy: -136.905
flat angles C4'-P-C4' energy: -136.050
flat angles P-C4'-P energy: -89.089
tors. eta vs tors. theta energy: -168.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1751.135987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.135987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.135987 (E_RNA)
where:
Base-Base interactions energy: -1173.592
where: short stacking energy: -528.677
Base-Backbone interact. energy: 0.161
local terms energy: -577.705130
where:
bonds (distance) C4'-P energy: -112.523
bonds (distance) P-C4' energy: -121.152
flat angles C4'-P-C4' energy: -132.357
flat angles P-C4'-P energy: -82.173
tors. eta vs tors. theta energy: -129.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1556.268802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.268802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.268802 (E_RNA)
where:
Base-Base interactions energy: -1006.582
where: short stacking energy: -465.786
Base-Backbone interact. energy: 3.323
local terms energy: -553.010596
where:
bonds (distance) C4'-P energy: -111.079
bonds (distance) P-C4' energy: -140.462
flat angles C4'-P-C4' energy: -128.318
flat angles P-C4'-P energy: -79.933
tors. eta vs tors. theta energy: -93.220
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: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1092.356173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.356173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.356173 (E_RNA)
where:
Base-Base interactions energy: -646.581
where: short stacking energy: -309.883
Base-Backbone interact. energy: 2.181
local terms energy: -447.956561
where:
bonds (distance) C4'-P energy: -116.043
bonds (distance) P-C4' energy: -119.868
flat angles C4'-P-C4' energy: -112.393
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -34.032
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: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -909.057922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.057922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.057922 (E_RNA)
where:
Base-Base interactions energy: -486.270
where: short stacking energy: -288.644
Base-Backbone interact. energy: 1.310
local terms energy: -424.098048
where:
bonds (distance) C4'-P energy: -121.697
bonds (distance) P-C4' energy: -87.397
flat angles C4'-P-C4' energy: -96.680
flat angles P-C4'-P energy: -79.156
tors. eta vs tors. theta energy: -39.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -853.990877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.990877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.990877 (E_RNA)
where:
Base-Base interactions energy: -461.646
where: short stacking energy: -247.505
Base-Backbone interact. energy: 3.052
local terms energy: -395.396432
where:
bonds (distance) C4'-P energy: -89.734
bonds (distance) P-C4' energy: -121.884
flat angles C4'-P-C4' energy: -110.193
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2519.301026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.301026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.301026 (E_RNA)
where:
Base-Base interactions energy: -1745.598
where: short stacking energy: -753.616
Base-Backbone interact. energy: -1.360
local terms energy: -772.343849
where:
bonds (distance) C4'-P energy: -137.107
bonds (distance) P-C4' energy: -142.339
flat angles C4'-P-C4' energy: -162.675
flat angles P-C4'-P energy: -106.677
tors. eta vs tors. theta energy: -223.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2370.482687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.482687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.482687 (E_RNA)
where:
Base-Base interactions energy: -1625.369
where: short stacking energy: -724.102
Base-Backbone interact. energy: -4.075
local terms energy: -741.039025
where:
bonds (distance) C4'-P energy: -132.218
bonds (distance) P-C4' energy: -139.362
flat angles C4'-P-C4' energy: -153.366
flat angles P-C4'-P energy: -108.054
tors. eta vs tors. theta energy: -208.038
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: 140
Temperature: 1.000000
Total energy: -2256.750037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.750037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.750037 (E_RNA)
where:
Base-Base interactions energy: -1574.556
where: short stacking energy: -654.725
Base-Backbone interact. energy: -2.365
local terms energy: -679.829388
where:
bonds (distance) C4'-P energy: -117.765
bonds (distance) P-C4' energy: -132.313
flat angles C4'-P-C4' energy: -155.613
flat angles P-C4'-P energy: -105.825
tors. eta vs tors. theta energy: -168.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2245.405351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.405351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.405351 (E_RNA)
where:
Base-Base interactions energy: -1550.560
where: short stacking energy: -640.585
Base-Backbone interact. energy: 0.685
local terms energy: -695.530075
where:
bonds (distance) C4'-P energy: -134.123
bonds (distance) P-C4' energy: -117.210
flat angles C4'-P-C4' energy: -155.844
flat angles P-C4'-P energy: -97.349
tors. eta vs tors. theta energy: -191.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1976.460571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.460571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.460571 (E_RNA)
where:
Base-Base interactions energy: -1324.550
where: short stacking energy: -611.247
Base-Backbone interact. energy: -1.303
local terms energy: -650.606952
where:
bonds (distance) C4'-P energy: -116.253
bonds (distance) P-C4' energy: -128.140
flat angles C4'-P-C4' energy: -144.856
flat angles P-C4'-P energy: -91.884
tors. eta vs tors. theta energy: -169.474
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: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1754.325520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.325520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.325520 (E_RNA)
where:
Base-Base interactions energy: -1145.153
where: short stacking energy: -528.506
Base-Backbone interact. energy: -2.469
local terms energy: -606.704065
where:
bonds (distance) C4'-P energy: -127.178
bonds (distance) P-C4' energy: -120.956
flat angles C4'-P-C4' energy: -129.407
flat angles P-C4'-P energy: -94.967
tors. eta vs tors. theta energy: -134.196
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: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1554.925581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.925581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.925581 (E_RNA)
where:
Base-Base interactions energy: -991.269
where: short stacking energy: -446.029
Base-Backbone interact. energy: 0.072
local terms energy: -563.728017
where:
bonds (distance) C4'-P energy: -117.007
bonds (distance) P-C4' energy: -114.939
flat angles C4'-P-C4' energy: -144.634
flat angles P-C4'-P energy: -80.134
tors. eta vs tors. theta energy: -107.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1110.232238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.232238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.232238 (E_RNA)
where:
Base-Base interactions energy: -617.407
where: short stacking energy: -313.957
Base-Backbone interact. energy: 5.256
local terms energy: -498.081503
where:
bonds (distance) C4'-P energy: -119.990
bonds (distance) P-C4' energy: -118.706
flat angles C4'-P-C4' energy: -138.565
flat angles P-C4'-P energy: -75.506
tors. eta vs tors. theta energy: -45.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -894.136175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.136175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.136175 (E_RNA)
where:
Base-Base interactions energy: -496.596
where: short stacking energy: -265.679
Base-Backbone interact. energy: 1.588
local terms energy: -399.128405
where:
bonds (distance) C4'-P energy: -103.745
bonds (distance) P-C4' energy: -97.623
flat angles C4'-P-C4' energy: -110.603
flat angles P-C4'-P energy: -64.716
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -822.909326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.909326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.909326 (E_RNA)
where:
Base-Base interactions energy: -438.820
where: short stacking energy: -231.620
Base-Backbone interact. energy: 0.852
local terms energy: -384.941455
where:
bonds (distance) C4'-P energy: -97.411
bonds (distance) P-C4' energy: -119.080
flat angles C4'-P-C4' energy: -102.099
flat angles P-C4'-P energy: -61.903
tors. eta vs tors. theta energy: -4.448
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: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2521.077966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.077966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.077966 (E_RNA)
where:
Base-Base interactions energy: -1736.722
where: short stacking energy: -749.402
Base-Backbone interact. energy: 0.658
local terms energy: -785.013879
where:
bonds (distance) C4'-P energy: -141.789
bonds (distance) P-C4' energy: -144.017
flat angles C4'-P-C4' energy: -164.543
flat angles P-C4'-P energy: -114.610
tors. eta vs tors. theta energy: -220.055
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: 141
Temperature: 0.950000
Total energy: -2376.008748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.008748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.008748 (E_RNA)
where:
Base-Base interactions energy: -1628.085
where: short stacking energy: -722.006
Base-Backbone interact. energy: -7.818
local terms energy: -740.105619
where:
bonds (distance) C4'-P energy: -131.670
bonds (distance) P-C4' energy: -144.713
flat angles C4'-P-C4' energy: -154.609
flat angles P-C4'-P energy: -102.533
tors. eta vs tors. theta energy: -206.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2274.874419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.874419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.874419 (E_RNA)
where:
Base-Base interactions energy: -1548.682
where: short stacking energy: -647.192
Base-Backbone interact. energy: -4.900
local terms energy: -721.292579
where:
bonds (distance) C4'-P energy: -133.750
bonds (distance) P-C4' energy: -142.506
flat angles C4'-P-C4' energy: -158.202
flat angles P-C4'-P energy: -97.157
tors. eta vs tors. theta energy: -189.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2218.307729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.307729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.307729 (E_RNA)
where:
Base-Base interactions energy: -1538.266
where: short stacking energy: -643.443
Base-Backbone interact. energy: -0.758
local terms energy: -679.283111
where:
bonds (distance) C4'-P energy: -139.738
bonds (distance) P-C4' energy: -143.763
flat angles C4'-P-C4' energy: -140.344
flat angles P-C4'-P energy: -82.130
tors. eta vs tors. theta energy: -173.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2004.677452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.677452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.677452 (E_RNA)
where:
Base-Base interactions energy: -1363.562
where: short stacking energy: -598.034
Base-Backbone interact. energy: -2.097
local terms energy: -639.018856
where:
bonds (distance) C4'-P energy: -111.725
bonds (distance) P-C4' energy: -120.874
flat angles C4'-P-C4' energy: -144.026
flat angles P-C4'-P energy: -90.347
tors. eta vs tors. theta energy: -172.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1764.390061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.390061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.390061 (E_RNA)
where:
Base-Base interactions energy: -1178.149
where: short stacking energy: -544.299
Base-Backbone interact. energy: -0.981
local terms energy: -585.259967
where:
bonds (distance) C4'-P energy: -114.021
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -143.172
flat angles P-C4'-P energy: -82.889
tors. eta vs tors. theta energy: -120.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1522.106680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.106680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.106680 (E_RNA)
where:
Base-Base interactions energy: -944.829
where: short stacking energy: -439.158
Base-Backbone interact. energy: -1.176
local terms energy: -576.101785
where:
bonds (distance) C4'-P energy: -137.842
bonds (distance) P-C4' energy: -124.588
flat angles C4'-P-C4' energy: -135.883
flat angles P-C4'-P energy: -83.358
tors. eta vs tors. theta energy: -94.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1122.577063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.577063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.577063 (E_RNA)
where:
Base-Base interactions energy: -635.896
where: short stacking energy: -333.465
Base-Backbone interact. energy: 1.249
local terms energy: -487.930120
where:
bonds (distance) C4'-P energy: -114.293
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -115.192
flat angles P-C4'-P energy: -84.098
tors. eta vs tors. theta energy: -50.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -839.631778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.631778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.631778 (E_RNA)
where:
Base-Base interactions energy: -423.191
where: short stacking energy: -253.432
Base-Backbone interact. energy: -1.383
local terms energy: -415.057524
where:
bonds (distance) C4'-P energy: -116.954
bonds (distance) P-C4' energy: -118.637
flat angles C4'-P-C4' energy: -102.825
flat angles P-C4'-P energy: -51.118
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: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -854.253866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.253866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.253866 (E_RNA)
where:
Base-Base interactions energy: -467.993
where: short stacking energy: -282.035
Base-Backbone interact. energy: 0.433
local terms energy: -386.693787
where:
bonds (distance) C4'-P energy: -120.637
bonds (distance) P-C4' energy: -109.274
flat angles C4'-P-C4' energy: -100.626
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2503.233780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.233780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.233780 (E_RNA)
where:
Base-Base interactions energy: -1723.543
where: short stacking energy: -751.515
Base-Backbone interact. energy: -1.925
local terms energy: -777.765647
where:
bonds (distance) C4'-P energy: -138.935
bonds (distance) P-C4' energy: -159.874
flat angles C4'-P-C4' energy: -154.334
flat angles P-C4'-P energy: -100.533
tors. eta vs tors. theta energy: -224.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2402.343453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.343453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.343453 (E_RNA)
where:
Base-Base interactions energy: -1666.315
where: short stacking energy: -724.439
Base-Backbone interact. energy: -5.655
local terms energy: -730.373778
where:
bonds (distance) C4'-P energy: -119.705
bonds (distance) P-C4' energy: -128.033
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -100.857
tors. eta vs tors. theta energy: -219.688
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: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2306.478302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.478302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.478302 (E_RNA)
where:
Base-Base interactions energy: -1570.810
where: short stacking energy: -669.940
Base-Backbone interact. energy: -4.427
local terms energy: -731.241224
where:
bonds (distance) C4'-P energy: -138.092
bonds (distance) P-C4' energy: -137.250
flat angles C4'-P-C4' energy: -165.581
flat angles P-C4'-P energy: -101.070
tors. eta vs tors. theta energy: -189.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2201.207443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.207443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.207443 (E_RNA)
where:
Base-Base interactions energy: -1540.312
where: short stacking energy: -639.882
Base-Backbone interact. energy: -1.636
local terms energy: -659.259064
where:
bonds (distance) C4'-P energy: -107.338
bonds (distance) P-C4' energy: -115.819
flat angles C4'-P-C4' energy: -146.595
flat angles P-C4'-P energy: -95.071
tors. eta vs tors. theta energy: -194.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1991.321109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.321109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.321109 (E_RNA)
where:
Base-Base interactions energy: -1363.537
where: short stacking energy: -582.423
Base-Backbone interact. energy: -0.622
local terms energy: -627.161412
where:
bonds (distance) C4'-P energy: -119.289
bonds (distance) P-C4' energy: -126.794
flat angles C4'-P-C4' energy: -133.562
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -163.574
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: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1719.344411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.344411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.344411 (E_RNA)
where:
Base-Base interactions energy: -1116.239
where: short stacking energy: -510.662
Base-Backbone interact. energy: -3.393
local terms energy: -599.712471
where:
bonds (distance) C4'-P energy: -132.656
bonds (distance) P-C4' energy: -137.466
flat angles C4'-P-C4' energy: -128.112
flat angles P-C4'-P energy: -73.528
tors. eta vs tors. theta energy: -127.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1502.264420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.264420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.264420 (E_RNA)
where:
Base-Base interactions energy: -960.177
where: short stacking energy: -445.177
Base-Backbone interact. energy: -1.728
local terms energy: -540.359057
where:
bonds (distance) C4'-P energy: -115.333
bonds (distance) P-C4' energy: -108.251
flat angles C4'-P-C4' energy: -121.993
flat angles P-C4'-P energy: -83.569
tors. eta vs tors. theta energy: -111.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1120.004548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.004548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.004548 (E_RNA)
where:
Base-Base interactions energy: -636.574
where: short stacking energy: -330.371
Base-Backbone interact. energy: -0.456
local terms energy: -482.974055
where:
bonds (distance) C4'-P energy: -127.381
bonds (distance) P-C4' energy: -129.907
flat angles C4'-P-C4' energy: -123.204
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -57.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -846.133164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.133164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.133164 (E_RNA)
where:
Base-Base interactions energy: -467.444
where: short stacking energy: -277.125
Base-Backbone interact. energy: 2.143
local terms energy: -380.832910
where:
bonds (distance) C4'-P energy: -96.192
bonds (distance) P-C4' energy: -110.506
flat angles C4'-P-C4' energy: -111.004
flat angles P-C4'-P energy: -47.241
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -776.546170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.546170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.546170 (E_RNA)
where:
Base-Base interactions energy: -412.582
where: short stacking energy: -231.658
Base-Backbone interact. energy: 0.185
local terms energy: -364.149175
where:
bonds (distance) C4'-P energy: -113.432
bonds (distance) P-C4' energy: -101.370
flat angles C4'-P-C4' energy: -84.774
flat angles P-C4'-P energy: -72.797
tors. eta vs tors. theta energy: 8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2535.089634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.089634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.089634 (E_RNA)
where:
Base-Base interactions energy: -1758.426
where: short stacking energy: -756.722
Base-Backbone interact. energy: -0.596
local terms energy: -776.067515
where:
bonds (distance) C4'-P energy: -142.291
bonds (distance) P-C4' energy: -140.096
flat angles C4'-P-C4' energy: -161.895
flat angles P-C4'-P energy: -115.041
tors. eta vs tors. theta energy: -216.744
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: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2396.641523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.641523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.641523 (E_RNA)
where:
Base-Base interactions energy: -1635.451
where: short stacking energy: -731.379
Base-Backbone interact. energy: -7.800
local terms energy: -753.390713
where:
bonds (distance) C4'-P energy: -127.519
bonds (distance) P-C4' energy: -136.173
flat angles C4'-P-C4' energy: -164.369
flat angles P-C4'-P energy: -110.090
tors. eta vs tors. theta energy: -215.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2221.090230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.090230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.090230 (E_RNA)
where:
Base-Base interactions energy: -1542.796
where: short stacking energy: -656.048
Base-Backbone interact. energy: -0.191
local terms energy: -678.103208
where:
bonds (distance) C4'-P energy: -126.370
bonds (distance) P-C4' energy: -136.633
flat angles C4'-P-C4' energy: -147.971
flat angles P-C4'-P energy: -87.480
tors. eta vs tors. theta energy: -179.649
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: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2226.220759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.220759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.220759 (E_RNA)
where:
Base-Base interactions energy: -1523.028
where: short stacking energy: -657.156
Base-Backbone interact. energy: -2.128
local terms energy: -701.064474
where:
bonds (distance) C4'-P energy: -122.378
bonds (distance) P-C4' energy: -126.604
flat angles C4'-P-C4' energy: -153.640
flat angles P-C4'-P energy: -89.900
tors. eta vs tors. theta energy: -208.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2018.625849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.625849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.625849 (E_RNA)
where:
Base-Base interactions energy: -1387.372
where: short stacking energy: -605.146
Base-Backbone interact. energy: 1.385
local terms energy: -632.639240
where:
bonds (distance) C4'-P energy: -116.456
bonds (distance) P-C4' energy: -132.769
flat angles C4'-P-C4' energy: -141.181
flat angles P-C4'-P energy: -81.438
tors. eta vs tors. theta energy: -160.795
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1744.167537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.167537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.167537 (E_RNA)
where:
Base-Base interactions energy: -1132.813
where: short stacking energy: -507.461
Base-Backbone interact. energy: -3.912
local terms energy: -607.442350
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -129.718
flat angles C4'-P-C4' energy: -145.577
flat angles P-C4'-P energy: -87.718
tors. eta vs tors. theta energy: -127.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1503.621613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.621613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.621613 (E_RNA)
where:
Base-Base interactions energy: -982.353
where: short stacking energy: -445.541
Base-Backbone interact. energy: 2.193
local terms energy: -523.461635
where:
bonds (distance) C4'-P energy: -115.677
bonds (distance) P-C4' energy: -119.459
flat angles C4'-P-C4' energy: -120.348
flat angles P-C4'-P energy: -74.607
tors. eta vs tors. theta energy: -93.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1127.748311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.748311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.748311 (E_RNA)
where:
Base-Base interactions energy: -675.443
where: short stacking energy: -341.003
Base-Backbone interact. energy: -0.750
local terms energy: -451.554961
where:
bonds (distance) C4'-P energy: -97.937
bonds (distance) P-C4' energy: -117.659
flat angles C4'-P-C4' energy: -129.609
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -59.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -953.959118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.959118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.959118 (E_RNA)
where:
Base-Base interactions energy: -517.137
where: short stacking energy: -270.473
Base-Backbone interact. energy: 1.662
local terms energy: -438.484205
where:
bonds (distance) C4'-P energy: -112.084
bonds (distance) P-C4' energy: -134.355
flat angles C4'-P-C4' energy: -90.374
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: -26.986
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: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -832.282149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.282149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.282149 (E_RNA)
where:
Base-Base interactions energy: -459.402
where: short stacking energy: -258.547
Base-Backbone interact. energy: 5.319
local terms energy: -378.198928
where:
bonds (distance) C4'-P energy: -113.707
bonds (distance) P-C4' energy: -99.364
flat angles C4'-P-C4' energy: -108.238
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2504.882554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.882554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.882554 (E_RNA)
where:
Base-Base interactions energy: -1758.721
where: short stacking energy: -739.112
Base-Backbone interact. energy: 0.553
local terms energy: -746.714348
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -149.325
flat angles C4'-P-C4' energy: -155.131
flat angles P-C4'-P energy: -103.594
tors. eta vs tors. theta energy: -219.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2377.263304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.263304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.263304 (E_RNA)
where:
Base-Base interactions energy: -1643.785
where: short stacking energy: -700.199
Base-Backbone interact. energy: -1.278
local terms energy: -732.200134
where:
bonds (distance) C4'-P energy: -136.258
bonds (distance) P-C4' energy: -125.784
flat angles C4'-P-C4' energy: -151.881
flat angles P-C4'-P energy: -106.431
tors. eta vs tors. theta energy: -211.846
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: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2314.476042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.476042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.476042 (E_RNA)
where:
Base-Base interactions energy: -1607.462
where: short stacking energy: -691.309
Base-Backbone interact. energy: 5.533
local terms energy: -712.547153
where:
bonds (distance) C4'-P energy: -126.426
bonds (distance) P-C4' energy: -129.125
flat angles C4'-P-C4' energy: -155.071
flat angles P-C4'-P energy: -109.335
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: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2180.689728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.689728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.689728 (E_RNA)
where:
Base-Base interactions energy: -1525.269
where: short stacking energy: -627.267
Base-Backbone interact. energy: 1.341
local terms energy: -656.762022
where:
bonds (distance) C4'-P energy: -131.114
bonds (distance) P-C4' energy: -134.288
flat angles C4'-P-C4' energy: -137.254
flat angles P-C4'-P energy: -85.208
tors. eta vs tors. theta energy: -168.898
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: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1999.990791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.990791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.990791 (E_RNA)
where:
Base-Base interactions energy: -1356.482
where: short stacking energy: -570.805
Base-Backbone interact. energy: -3.559
local terms energy: -639.949599
where:
bonds (distance) C4'-P energy: -126.373
bonds (distance) P-C4' energy: -128.899
flat angles C4'-P-C4' energy: -135.597
flat angles P-C4'-P energy: -92.006
tors. eta vs tors. theta energy: -157.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1749.192943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.192943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.192943 (E_RNA)
where:
Base-Base interactions energy: -1165.204
where: short stacking energy: -516.209
Base-Backbone interact. energy: -0.155
local terms energy: -583.833852
where:
bonds (distance) C4'-P energy: -120.726
bonds (distance) P-C4' energy: -120.189
flat angles C4'-P-C4' energy: -124.348
flat angles P-C4'-P energy: -81.507
tors. eta vs tors. theta energy: -137.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1397.706107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.706107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.706107 (E_RNA)
where:
Base-Base interactions energy: -891.202
where: short stacking energy: -391.001
Base-Backbone interact. energy: 1.265
local terms energy: -507.768966
where:
bonds (distance) C4'-P energy: -110.264
bonds (distance) P-C4' energy: -123.894
flat angles C4'-P-C4' energy: -126.823
flat angles P-C4'-P energy: -80.324
tors. eta vs tors. theta energy: -66.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1108.302961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.302961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.302961 (E_RNA)
where:
Base-Base interactions energy: -638.061
where: short stacking energy: -332.197
Base-Backbone interact. energy: -0.447
local terms energy: -469.795382
where:
bonds (distance) C4'-P energy: -116.977
bonds (distance) P-C4' energy: -113.988
flat angles C4'-P-C4' energy: -120.561
flat angles P-C4'-P energy: -73.919
tors. eta vs tors. theta energy: -44.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -853.927007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.927007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.927007 (E_RNA)
where:
Base-Base interactions energy: -470.889
where: short stacking energy: -272.879
Base-Backbone interact. energy: 0.458
local terms energy: -383.495981
where:
bonds (distance) C4'-P energy: -99.714
bonds (distance) P-C4' energy: -115.304
flat angles C4'-P-C4' energy: -109.361
flat angles P-C4'-P energy: -44.193
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: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -838.377654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.377654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.377654 (E_RNA)
where:
Base-Base interactions energy: -443.764
where: short stacking energy: -232.467
Base-Backbone interact. energy: 3.645
local terms energy: -398.259196
where:
bonds (distance) C4'-P energy: -100.981
bonds (distance) P-C4' energy: -122.936
flat angles C4'-P-C4' energy: -92.878
flat angles P-C4'-P energy: -72.867
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2523.441610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.441610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.441610 (E_RNA)
where:
Base-Base interactions energy: -1768.461
where: short stacking energy: -763.504
Base-Backbone interact. energy: -1.565
local terms energy: -753.416059
where:
bonds (distance) C4'-P energy: -144.345
bonds (distance) P-C4' energy: -135.930
flat angles C4'-P-C4' energy: -161.757
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -216.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2399.915983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.915983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.915983 (E_RNA)
where:
Base-Base interactions energy: -1655.388
where: short stacking energy: -709.500
Base-Backbone interact. energy: -1.958
local terms energy: -742.569978
where:
bonds (distance) C4'-P energy: -144.635
bonds (distance) P-C4' energy: -132.780
flat angles C4'-P-C4' energy: -141.977
flat angles P-C4'-P energy: -117.633
tors. eta vs tors. theta energy: -205.545
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: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2348.838923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.838923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.838923 (E_RNA)
where:
Base-Base interactions energy: -1625.549
where: short stacking energy: -709.013
Base-Backbone interact. energy: -6.436
local terms energy: -716.853233
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -130.182
flat angles C4'-P-C4' energy: -150.152
flat angles P-C4'-P energy: -101.864
tors. eta vs tors. theta energy: -211.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2222.447636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.447636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.447636 (E_RNA)
where:
Base-Base interactions energy: -1536.464
where: short stacking energy: -616.528
Base-Backbone interact. energy: -3.850
local terms energy: -682.134003
where:
bonds (distance) C4'-P energy: -133.488
bonds (distance) P-C4' energy: -141.679
flat angles C4'-P-C4' energy: -140.538
flat angles P-C4'-P energy: -93.871
tors. eta vs tors. theta energy: -172.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1982.013566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.013566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.013566 (E_RNA)
where:
Base-Base interactions energy: -1327.486
where: short stacking energy: -582.450
Base-Backbone interact. energy: -0.750
local terms energy: -653.777372
where:
bonds (distance) C4'-P energy: -131.791
bonds (distance) P-C4' energy: -136.656
flat angles C4'-P-C4' energy: -146.929
flat angles P-C4'-P energy: -96.046
tors. eta vs tors. theta energy: -142.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1826.922255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.922255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.922255 (E_RNA)
where:
Base-Base interactions energy: -1206.311
where: short stacking energy: -571.399
Base-Backbone interact. energy: -3.573
local terms energy: -617.038472
where:
bonds (distance) C4'-P energy: -116.505
bonds (distance) P-C4' energy: -127.497
flat angles C4'-P-C4' energy: -135.825
flat angles P-C4'-P energy: -98.700
tors. eta vs tors. theta energy: -138.512
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: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1436.328604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.328604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.328604 (E_RNA)
where:
Base-Base interactions energy: -923.611
where: short stacking energy: -441.046
Base-Backbone interact. energy: -2.949
local terms energy: -509.768609
where:
bonds (distance) C4'-P energy: -117.674
bonds (distance) P-C4' energy: -123.294
flat angles C4'-P-C4' energy: -114.485
flat angles P-C4'-P energy: -74.304
tors. eta vs tors. theta energy: -80.012
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: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1172.415019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.415019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.415019 (E_RNA)
where:
Base-Base interactions energy: -682.875
where: short stacking energy: -349.740
Base-Backbone interact. energy: 2.969
local terms energy: -492.509212
where:
bonds (distance) C4'-P energy: -100.474
bonds (distance) P-C4' energy: -134.035
flat angles C4'-P-C4' energy: -133.632
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -61.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -886.266214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.266214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.266214 (E_RNA)
where:
Base-Base interactions energy: -427.451
where: short stacking energy: -247.626
Base-Backbone interact. energy: 3.109
local terms energy: -461.924414
where:
bonds (distance) C4'-P energy: -123.149
bonds (distance) P-C4' energy: -126.637
flat angles C4'-P-C4' energy: -115.088
flat angles P-C4'-P energy: -68.363
tors. eta vs tors. theta energy: -28.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -814.700559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.700559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.700559 (E_RNA)
where:
Base-Base interactions energy: -409.054
where: short stacking energy: -251.991
Base-Backbone interact. energy: 5.400
local terms energy: -411.046663
where:
bonds (distance) C4'-P energy: -118.861
bonds (distance) P-C4' energy: -106.902
flat angles C4'-P-C4' energy: -105.171
flat angles P-C4'-P energy: -56.613
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2518.699456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.699456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.699456 (E_RNA)
where:
Base-Base interactions energy: -1749.271
where: short stacking energy: -743.940
Base-Backbone interact. energy: 2.996
local terms energy: -772.424438
where:
bonds (distance) C4'-P energy: -148.556
bonds (distance) P-C4' energy: -130.219
flat angles C4'-P-C4' energy: -159.356
flat angles P-C4'-P energy: -103.913
tors. eta vs tors. theta energy: -230.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2371.167658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.167658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.167658 (E_RNA)
where:
Base-Base interactions energy: -1633.357
where: short stacking energy: -713.015
Base-Backbone interact. energy: -3.997
local terms energy: -733.813655
where:
bonds (distance) C4'-P energy: -127.860
bonds (distance) P-C4' energy: -144.724
flat angles C4'-P-C4' energy: -149.673
flat angles P-C4'-P energy: -107.954
tors. eta vs tors. theta energy: -203.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2315.129940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.129940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.129940 (E_RNA)
where:
Base-Base interactions energy: -1590.364
where: short stacking energy: -702.855
Base-Backbone interact. energy: -3.167
local terms energy: -721.598606
where:
bonds (distance) C4'-P energy: -135.230
bonds (distance) P-C4' energy: -122.513
flat angles C4'-P-C4' energy: -161.339
flat angles P-C4'-P energy: -96.959
tors. eta vs tors. theta energy: -205.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2196.099847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.099847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.099847 (E_RNA)
where:
Base-Base interactions energy: -1519.735
where: short stacking energy: -600.538
Base-Backbone interact. energy: -6.190
local terms energy: -670.174976
where:
bonds (distance) C4'-P energy: -123.509
bonds (distance) P-C4' energy: -131.092
flat angles C4'-P-C4' energy: -150.557
flat angles P-C4'-P energy: -95.938
tors. eta vs tors. theta energy: -169.078
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: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2032.185627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.185627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.185627 (E_RNA)
where:
Base-Base interactions energy: -1363.953
where: short stacking energy: -605.520
Base-Backbone interact. energy: -0.193
local terms energy: -668.039320
where:
bonds (distance) C4'-P energy: -132.028
bonds (distance) P-C4' energy: -121.603
flat angles C4'-P-C4' energy: -145.155
flat angles P-C4'-P energy: -98.401
tors. eta vs tors. theta energy: -170.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1798.809606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.809606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.809606 (E_RNA)
where:
Base-Base interactions energy: -1184.080
where: short stacking energy: -512.363
Base-Backbone interact. energy: -0.920
local terms energy: -613.809473
where:
bonds (distance) C4'-P energy: -119.019
bonds (distance) P-C4' energy: -134.512
flat angles C4'-P-C4' energy: -138.533
flat angles P-C4'-P energy: -79.474
tors. eta vs tors. theta energy: -142.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1459.777739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.777739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.777739 (E_RNA)
where:
Base-Base interactions energy: -908.941
where: short stacking energy: -426.873
Base-Backbone interact. energy: -1.685
local terms energy: -549.152325
where:
bonds (distance) C4'-P energy: -119.872
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -137.240
flat angles P-C4'-P energy: -78.163
tors. eta vs tors. theta energy: -94.584
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: 146
Temperature: 1.250000
Total energy: -1168.876786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.876786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.876786 (E_RNA)
where:
Base-Base interactions energy: -691.698
where: short stacking energy: -328.449
Base-Backbone interact. energy: 0.252
local terms energy: -477.430291
where:
bonds (distance) C4'-P energy: -113.973
bonds (distance) P-C4' energy: -141.333
flat angles C4'-P-C4' energy: -113.471
flat angles P-C4'-P energy: -63.165
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: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -916.558362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.558362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.558362 (E_RNA)
where:
Base-Base interactions energy: -468.857
where: short stacking energy: -284.741
Base-Backbone interact. energy: -1.554
local terms energy: -446.147299
where:
bonds (distance) C4'-P energy: -124.078
bonds (distance) P-C4' energy: -106.695
flat angles C4'-P-C4' energy: -121.315
flat angles P-C4'-P energy: -68.413
tors. eta vs tors. theta energy: -25.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -858.391628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.391628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.391628 (E_RNA)
where:
Base-Base interactions energy: -484.340
where: short stacking energy: -265.171
Base-Backbone interact. energy: -0.944
local terms energy: -373.107536
where:
bonds (distance) C4'-P energy: -91.630
bonds (distance) P-C4' energy: -116.705
flat angles C4'-P-C4' energy: -96.488
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2505.190596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.190596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.190596 (E_RNA)
where:
Base-Base interactions energy: -1720.862
where: short stacking energy: -762.564
Base-Backbone interact. energy: -1.849
local terms energy: -782.479049
where:
bonds (distance) C4'-P energy: -150.623
bonds (distance) P-C4' energy: -143.329
flat angles C4'-P-C4' energy: -157.934
flat angles P-C4'-P energy: -106.204
tors. eta vs tors. theta energy: -224.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2403.215634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.215634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.215634 (E_RNA)
where:
Base-Base interactions energy: -1665.724
where: short stacking energy: -718.802
Base-Backbone interact. energy: -2.559
local terms energy: -734.932677
where:
bonds (distance) C4'-P energy: -130.329
bonds (distance) P-C4' energy: -135.139
flat angles C4'-P-C4' energy: -154.217
flat angles P-C4'-P energy: -108.027
tors. eta vs tors. theta energy: -207.220
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: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2292.265300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.265300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.265300 (E_RNA)
where:
Base-Base interactions energy: -1568.768
where: short stacking energy: -642.453
Base-Backbone interact. energy: -4.507
local terms energy: -718.990887
where:
bonds (distance) C4'-P energy: -139.087
bonds (distance) P-C4' energy: -137.663
flat angles C4'-P-C4' energy: -152.097
flat angles P-C4'-P energy: -85.064
tors. eta vs tors. theta energy: -205.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2200.779848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.779848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.779848 (E_RNA)
where:
Base-Base interactions energy: -1504.095
where: short stacking energy: -615.848
Base-Backbone interact. energy: -7.404
local terms energy: -689.281009
where:
bonds (distance) C4'-P energy: -128.001
bonds (distance) P-C4' energy: -136.795
flat angles C4'-P-C4' energy: -145.411
flat angles P-C4'-P energy: -100.763
tors. eta vs tors. theta energy: -178.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1981.129691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.129691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.129691 (E_RNA)
where:
Base-Base interactions energy: -1329.682
where: short stacking energy: -585.230
Base-Backbone interact. energy: -1.714
local terms energy: -649.733876
where:
bonds (distance) C4'-P energy: -127.984
bonds (distance) P-C4' energy: -126.706
flat angles C4'-P-C4' energy: -127.901
flat angles P-C4'-P energy: -101.109
tors. eta vs tors. theta energy: -166.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1809.120438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.120438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.120438 (E_RNA)
where:
Base-Base interactions energy: -1215.556
where: short stacking energy: -533.040
Base-Backbone interact. energy: -3.085
local terms energy: -590.479887
where:
bonds (distance) C4'-P energy: -121.476
bonds (distance) P-C4' energy: -113.667
flat angles C4'-P-C4' energy: -129.242
flat angles P-C4'-P energy: -101.428
tors. eta vs tors. theta energy: -124.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1439.870153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.870153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.870153 (E_RNA)
where:
Base-Base interactions energy: -913.399
where: short stacking energy: -422.077
Base-Backbone interact. energy: -0.400
local terms energy: -526.070984
where:
bonds (distance) C4'-P energy: -114.981
bonds (distance) P-C4' energy: -135.616
flat angles C4'-P-C4' energy: -117.091
flat angles P-C4'-P energy: -76.600
tors. eta vs tors. theta energy: -81.782
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: 147
Temperature: 1.250000
Total energy: -1189.166873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.166873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.166873 (E_RNA)
where:
Base-Base interactions energy: -719.638
where: short stacking energy: -361.201
Base-Backbone interact. energy: -1.232
local terms energy: -468.296704
where:
bonds (distance) C4'-P energy: -110.033
bonds (distance) P-C4' energy: -107.198
flat angles C4'-P-C4' energy: -109.177
flat angles P-C4'-P energy: -70.355
tors. eta vs tors. theta energy: -71.534
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: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -875.471018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.471018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.471018 (E_RNA)
where:
Base-Base interactions energy: -476.608
where: short stacking energy: -302.114
Base-Backbone interact. energy: 1.434
local terms energy: -400.297596
where:
bonds (distance) C4'-P energy: -90.807
bonds (distance) P-C4' energy: -115.778
flat angles C4'-P-C4' energy: -102.427
flat angles P-C4'-P energy: -60.620
tors. eta vs tors. theta energy: -30.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -884.021871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.021871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.021871 (E_RNA)
where:
Base-Base interactions energy: -481.254
where: short stacking energy: -249.292
Base-Backbone interact. energy: 4.128
local terms energy: -406.896276
where:
bonds (distance) C4'-P energy: -92.609
bonds (distance) P-C4' energy: -112.519
flat angles C4'-P-C4' energy: -116.134
flat angles P-C4'-P energy: -61.283
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2504.226899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.226899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.226899 (E_RNA)
where:
Base-Base interactions energy: -1733.973
where: short stacking energy: -741.815
Base-Backbone interact. energy: -3.934
local terms energy: -766.319874
where:
bonds (distance) C4'-P energy: -136.118
bonds (distance) P-C4' energy: -145.520
flat angles C4'-P-C4' energy: -159.869
flat angles P-C4'-P energy: -100.800
tors. eta vs tors. theta energy: -224.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2430.928646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.928646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.928646 (E_RNA)
where:
Base-Base interactions energy: -1663.455
where: short stacking energy: -711.578
Base-Backbone interact. energy: 2.584
local terms energy: -770.057069
where:
bonds (distance) C4'-P energy: -142.090
bonds (distance) P-C4' energy: -152.098
flat angles C4'-P-C4' energy: -160.479
flat angles P-C4'-P energy: -102.119
tors. eta vs tors. theta energy: -213.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2252.724604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.724604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.724604 (E_RNA)
where:
Base-Base interactions energy: -1518.956
where: short stacking energy: -679.989
Base-Backbone interact. energy: -4.263
local terms energy: -729.505765
where:
bonds (distance) C4'-P energy: -121.235
bonds (distance) P-C4' energy: -130.472
flat angles C4'-P-C4' energy: -158.687
flat angles P-C4'-P energy: -106.621
tors. eta vs tors. theta energy: -212.490
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2204.306075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.306075 (E_RNA)
where:
Base-Base interactions energy: -1514.894
where: short stacking energy: -607.199
Base-Backbone interact. energy: 0.435
local terms energy: -689.846626
where:
bonds (distance) C4'-P energy: -143.940
bonds (distance) P-C4' energy: -121.487
flat angles C4'-P-C4' energy: -152.461
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -177.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2007.154933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.154933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.154933 (E_RNA)
where:
Base-Base interactions energy: -1367.295
where: short stacking energy: -603.755
Base-Backbone interact. energy: -2.402
local terms energy: -637.458078
where:
bonds (distance) C4'-P energy: -142.659
bonds (distance) P-C4' energy: -135.891
flat angles C4'-P-C4' energy: -119.080
flat angles P-C4'-P energy: -82.869
tors. eta vs tors. theta energy: -156.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1732.153270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.153270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.153270 (E_RNA)
where:
Base-Base interactions energy: -1144.199
where: short stacking energy: -505.535
Base-Backbone interact. energy: -2.539
local terms energy: -585.415743
where:
bonds (distance) C4'-P energy: -105.633
bonds (distance) P-C4' energy: -137.572
flat angles C4'-P-C4' energy: -138.148
flat angles P-C4'-P energy: -75.619
tors. eta vs tors. theta energy: -128.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1462.818075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.818075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.818075 (E_RNA)
where:
Base-Base interactions energy: -914.420
where: short stacking energy: -420.959
Base-Backbone interact. energy: -1.546
local terms energy: -546.851639
where:
bonds (distance) C4'-P energy: -110.993
bonds (distance) P-C4' energy: -130.490
flat angles C4'-P-C4' energy: -144.385
flat angles P-C4'-P energy: -67.722
tors. eta vs tors. theta energy: -93.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1171.175269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.175269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.175269 (E_RNA)
where:
Base-Base interactions energy: -719.757
where: short stacking energy: -362.891
Base-Backbone interact. energy: -2.323
local terms energy: -449.094486
where:
bonds (distance) C4'-P energy: -95.866
bonds (distance) P-C4' energy: -106.574
flat angles C4'-P-C4' energy: -118.993
flat angles P-C4'-P energy: -54.775
tors. eta vs tors. theta energy: -72.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -980.785616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.785616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.785616 (E_RNA)
where:
Base-Base interactions energy: -551.437
where: short stacking energy: -305.703
Base-Backbone interact. energy: -1.006
local terms energy: -428.343107
where:
bonds (distance) C4'-P energy: -113.531
bonds (distance) P-C4' energy: -108.830
flat angles C4'-P-C4' energy: -105.719
flat angles P-C4'-P energy: -57.016
tors. eta vs tors. theta energy: -43.247
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -813.839917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.839917 (E_RNA)
where:
Base-Base interactions energy: -410.010
where: short stacking energy: -243.645
Base-Backbone interact. energy: -2.005
local terms energy: -401.824424
where:
bonds (distance) C4'-P energy: -117.743
bonds (distance) P-C4' energy: -123.606
flat angles C4'-P-C4' energy: -93.925
flat angles P-C4'-P energy: -55.406
tors. eta vs tors. theta energy: -11.145
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: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2545.199253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.199253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.199253 (E_RNA)
where:
Base-Base interactions energy: -1746.944
where: short stacking energy: -761.246
Base-Backbone interact. energy: -4.149
local terms energy: -794.106349
where:
bonds (distance) C4'-P energy: -137.046
bonds (distance) P-C4' energy: -147.942
flat angles C4'-P-C4' energy: -164.498
flat angles P-C4'-P energy: -112.190
tors. eta vs tors. theta energy: -232.431
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: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2450.762672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.762672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.762672 (E_RNA)
where:
Base-Base interactions energy: -1684.204
where: short stacking energy: -724.917
Base-Backbone interact. energy: -0.816
local terms energy: -765.743065
where:
bonds (distance) C4'-P energy: -135.596
bonds (distance) P-C4' energy: -139.529
flat angles C4'-P-C4' energy: -164.643
flat angles P-C4'-P energy: -116.166
tors. eta vs tors. theta energy: -209.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2277.228028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.228028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.228028 (E_RNA)
where:
Base-Base interactions energy: -1553.909
where: short stacking energy: -686.889
Base-Backbone interact. energy: -7.753
local terms energy: -715.565862
where:
bonds (distance) C4'-P energy: -124.677
bonds (distance) P-C4' energy: -117.958
flat angles C4'-P-C4' energy: -155.745
flat angles P-C4'-P energy: -110.980
tors. eta vs tors. theta energy: -206.206
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: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2185.268749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.268749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.268749 (E_RNA)
where:
Base-Base interactions energy: -1535.411
where: short stacking energy: -601.111
Base-Backbone interact. energy: -3.047
local terms energy: -646.810641
where:
bonds (distance) C4'-P energy: -133.335
bonds (distance) P-C4' energy: -112.794
flat angles C4'-P-C4' energy: -149.752
flat angles P-C4'-P energy: -93.274
tors. eta vs tors. theta energy: -157.655
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: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1915.299888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.299888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.299888 (E_RNA)
where:
Base-Base interactions energy: -1261.686
where: short stacking energy: -543.647
Base-Backbone interact. energy: -3.146
local terms energy: -650.468005
where:
bonds (distance) C4'-P energy: -122.769
bonds (distance) P-C4' energy: -133.752
flat angles C4'-P-C4' energy: -147.808
flat angles P-C4'-P energy: -91.525
tors. eta vs tors. theta energy: -154.614
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: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1712.525855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.525855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.525855 (E_RNA)
where:
Base-Base interactions energy: -1125.708
where: short stacking energy: -510.395
Base-Backbone interact. energy: 0.548
local terms energy: -587.365965
where:
bonds (distance) C4'-P energy: -106.250
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -141.478
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -130.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1443.191169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.191169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.191169 (E_RNA)
where:
Base-Base interactions energy: -919.459
where: short stacking energy: -434.650
Base-Backbone interact. energy: -5.131
local terms energy: -518.600642
where:
bonds (distance) C4'-P energy: -119.898
bonds (distance) P-C4' energy: -128.094
flat angles C4'-P-C4' energy: -117.650
flat angles P-C4'-P energy: -57.137
tors. eta vs tors. theta energy: -95.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1174.107145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.107145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.107145 (E_RNA)
where:
Base-Base interactions energy: -692.904
where: short stacking energy: -347.192
Base-Backbone interact. energy: 1.363
local terms energy: -482.566011
where:
bonds (distance) C4'-P energy: -123.439
bonds (distance) P-C4' energy: -120.793
flat angles C4'-P-C4' energy: -98.725
flat angles P-C4'-P energy: -75.458
tors. eta vs tors. theta energy: -64.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -963.018662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.018662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.018662 (E_RNA)
where:
Base-Base interactions energy: -564.726
where: short stacking energy: -304.868
Base-Backbone interact. energy: 0.849
local terms energy: -399.141497
where:
bonds (distance) C4'-P energy: -96.522
bonds (distance) P-C4' energy: -118.949
flat angles C4'-P-C4' energy: -100.414
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -829.445117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.445117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.445117 (E_RNA)
where:
Base-Base interactions energy: -439.757
where: short stacking energy: -248.069
Base-Backbone interact. energy: -2.096
local terms energy: -387.592136
where:
bonds (distance) C4'-P energy: -112.567
bonds (distance) P-C4' energy: -98.033
flat angles C4'-P-C4' energy: -111.362
flat angles P-C4'-P energy: -68.188
tors. eta vs tors. theta energy: 2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2527.714078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.714078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.714078 (E_RNA)
where:
Base-Base interactions energy: -1758.835
where: short stacking energy: -731.942
Base-Backbone interact. energy: -5.445
local terms energy: -763.434485
where:
bonds (distance) C4'-P energy: -125.468
bonds (distance) P-C4' energy: -139.887
flat angles C4'-P-C4' energy: -164.655
flat angles P-C4'-P energy: -113.828
tors. eta vs tors. theta energy: -219.597
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: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2430.905954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.905954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.905954 (E_RNA)
where:
Base-Base interactions energy: -1670.344
where: short stacking energy: -729.280
Base-Backbone interact. energy: -1.648
local terms energy: -758.914391
where:
bonds (distance) C4'-P energy: -143.194
bonds (distance) P-C4' energy: -135.265
flat angles C4'-P-C4' energy: -159.226
flat angles P-C4'-P energy: -105.422
tors. eta vs tors. theta energy: -215.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2259.111247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.111247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.111247 (E_RNA)
where:
Base-Base interactions energy: -1556.937
where: short stacking energy: -645.197
Base-Backbone interact. energy: -4.124
local terms energy: -698.049831
where:
bonds (distance) C4'-P energy: -141.229
bonds (distance) P-C4' energy: -119.318
flat angles C4'-P-C4' energy: -152.547
flat angles P-C4'-P energy: -99.267
tors. eta vs tors. theta energy: -185.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2195.570386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.570386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.570386 (E_RNA)
where:
Base-Base interactions energy: -1541.120
where: short stacking energy: -635.974
Base-Backbone interact. energy: -2.998
local terms energy: -651.452785
where:
bonds (distance) C4'-P energy: -125.192
bonds (distance) P-C4' energy: -128.162
flat angles C4'-P-C4' energy: -144.410
flat angles P-C4'-P energy: -83.068
tors. eta vs tors. theta energy: -170.621
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: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1936.149799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.149799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.149799 (E_RNA)
where:
Base-Base interactions energy: -1331.605
where: short stacking energy: -587.963
Base-Backbone interact. energy: -0.386
local terms energy: -604.158544
where:
bonds (distance) C4'-P energy: -111.725
bonds (distance) P-C4' energy: -122.265
flat angles C4'-P-C4' energy: -144.603
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -138.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1730.302980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.302980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.302980 (E_RNA)
where:
Base-Base interactions energy: -1113.443
where: short stacking energy: -531.506
Base-Backbone interact. energy: -2.473
local terms energy: -614.387178
where:
bonds (distance) C4'-P energy: -139.299
bonds (distance) P-C4' energy: -118.221
flat angles C4'-P-C4' energy: -138.650
flat angles P-C4'-P energy: -96.529
tors. eta vs tors. theta energy: -121.688
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: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1478.912556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.912556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.912556 (E_RNA)
where:
Base-Base interactions energy: -938.267
where: short stacking energy: -454.580
Base-Backbone interact. energy: -0.569
local terms energy: -540.076248
where:
bonds (distance) C4'-P energy: -110.147
bonds (distance) P-C4' energy: -115.503
flat angles C4'-P-C4' energy: -129.001
flat angles P-C4'-P energy: -83.890
tors. eta vs tors. theta energy: -101.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1179.486770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.486770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.486770 (E_RNA)
where:
Base-Base interactions energy: -681.177
where: short stacking energy: -354.621
Base-Backbone interact. energy: -3.049
local terms energy: -495.260803
where:
bonds (distance) C4'-P energy: -132.319
bonds (distance) P-C4' energy: -130.458
flat angles C4'-P-C4' energy: -112.201
flat angles P-C4'-P energy: -73.393
tors. eta vs tors. theta energy: -46.890
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: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -949.594832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.594832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.594832 (E_RNA)
where:
Base-Base interactions energy: -497.062
where: short stacking energy: -264.904
Base-Backbone interact. energy: -1.414
local terms energy: -451.118178
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -128.640
flat angles C4'-P-C4' energy: -113.240
flat angles P-C4'-P energy: -73.916
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -887.121299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.121299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.121299 (E_RNA)
where:
Base-Base interactions energy: -476.331
where: short stacking energy: -244.359
Base-Backbone interact. energy: 1.369
local terms energy: -412.158562
where:
bonds (distance) C4'-P energy: -95.152
bonds (distance) P-C4' energy: -125.076
flat angles C4'-P-C4' energy: -105.087
flat angles P-C4'-P energy: -77.763
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2520.123887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.123887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.123887 (E_RNA)
where:
Base-Base interactions energy: -1771.653
where: short stacking energy: -769.604
Base-Backbone interact. energy: -4.079
local terms energy: -744.391869
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -129.145
flat angles C4'-P-C4' energy: -154.858
flat angles P-C4'-P energy: -100.385
tors. eta vs tors. theta energy: -219.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2415.726578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.726578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.726578 (E_RNA)
where:
Base-Base interactions energy: -1676.204
where: short stacking energy: -725.248
Base-Backbone interact. energy: -5.285
local terms energy: -734.238111
where:
bonds (distance) C4'-P energy: -126.459
bonds (distance) P-C4' energy: -143.833
flat angles C4'-P-C4' energy: -140.605
flat angles P-C4'-P energy: -112.695
tors. eta vs tors. theta energy: -210.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2284.966090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.966090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.966090 (E_RNA)
where:
Base-Base interactions energy: -1547.286
where: short stacking energy: -685.769
Base-Backbone interact. energy: -4.586
local terms energy: -733.093913
where:
bonds (distance) C4'-P energy: -142.434
bonds (distance) P-C4' energy: -123.204
flat angles C4'-P-C4' energy: -159.711
flat angles P-C4'-P energy: -103.056
tors. eta vs tors. theta energy: -204.688
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: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2242.841853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.841853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.841853 (E_RNA)
where:
Base-Base interactions energy: -1552.978
where: short stacking energy: -643.778
Base-Backbone interact. energy: -1.550
local terms energy: -688.313460
where:
bonds (distance) C4'-P energy: -128.077
bonds (distance) P-C4' energy: -128.763
flat angles C4'-P-C4' energy: -155.240
flat angles P-C4'-P energy: -88.695
tors. eta vs tors. theta energy: -187.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1952.244461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.244461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.244461 (E_RNA)
where:
Base-Base interactions energy: -1302.591
where: short stacking energy: -567.429
Base-Backbone interact. energy: -1.107
local terms energy: -648.546201
where:
bonds (distance) C4'-P energy: -135.261
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -143.661
flat angles P-C4'-P energy: -80.265
tors. eta vs tors. theta energy: -151.925
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: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1694.079544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.079544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.079544 (E_RNA)
where:
Base-Base interactions energy: -1093.883
where: short stacking energy: -499.709
Base-Backbone interact. energy: -1.423
local terms energy: -598.774084
where:
bonds (distance) C4'-P energy: -120.382
bonds (distance) P-C4' energy: -117.289
flat angles C4'-P-C4' energy: -155.257
flat angles P-C4'-P energy: -83.048
tors. eta vs tors. theta energy: -122.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1531.979855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.979855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.979855 (E_RNA)
where:
Base-Base interactions energy: -971.623
where: short stacking energy: -460.554
Base-Backbone interact. energy: 5.463
local terms energy: -565.820382
where:
bonds (distance) C4'-P energy: -113.492
bonds (distance) P-C4' energy: -113.888
flat angles C4'-P-C4' energy: -139.395
flat angles P-C4'-P energy: -96.618
tors. eta vs tors. theta energy: -102.428
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: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1189.596283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.596283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.596283 (E_RNA)
where:
Base-Base interactions energy: -711.707
where: short stacking energy: -349.076
Base-Backbone interact. energy: -1.489
local terms energy: -476.400146
where:
bonds (distance) C4'-P energy: -104.502
bonds (distance) P-C4' energy: -121.545
flat angles C4'-P-C4' energy: -125.563
flat angles P-C4'-P energy: -75.400
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -929.557751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.557751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.557751 (E_RNA)
where:
Base-Base interactions energy: -498.758
where: short stacking energy: -242.316
Base-Backbone interact. energy: -3.357
local terms energy: -427.442913
where:
bonds (distance) C4'-P energy: -112.459
bonds (distance) P-C4' energy: -109.350
flat angles C4'-P-C4' energy: -123.419
flat angles P-C4'-P energy: -72.989
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -824.360749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.360749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.360749 (E_RNA)
where:
Base-Base interactions energy: -391.650
where: short stacking energy: -240.846
Base-Backbone interact. energy: 1.172
local terms energy: -433.882674
where:
bonds (distance) C4'-P energy: -115.628
bonds (distance) P-C4' energy: -115.339
flat angles C4'-P-C4' energy: -117.911
flat angles P-C4'-P energy: -48.646
tors. eta vs tors. theta energy: -36.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2535.261439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.261439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.261439 (E_RNA)
where:
Base-Base interactions energy: -1761.547
where: short stacking energy: -765.433
Base-Backbone interact. energy: -2.618
local terms energy: -771.096418
where:
bonds (distance) C4'-P energy: -127.073
bonds (distance) P-C4' energy: -145.152
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -105.234
tors. eta vs tors. theta energy: -229.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2440.628790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.628790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.628790 (E_RNA)
where:
Base-Base interactions energy: -1673.084
where: short stacking energy: -706.541
Base-Backbone interact. energy: -2.962
local terms energy: -764.582705
where:
bonds (distance) C4'-P energy: -141.712
bonds (distance) P-C4' energy: -139.876
flat angles C4'-P-C4' energy: -164.826
flat angles P-C4'-P energy: -105.322
tors. eta vs tors. theta energy: -212.846
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2244.230413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.230413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.230413 (E_RNA)
where:
Base-Base interactions energy: -1562.828
where: short stacking energy: -648.963
Base-Backbone interact. energy: -0.141
local terms energy: -681.260667
where:
bonds (distance) C4'-P energy: -134.302
bonds (distance) P-C4' energy: -123.710
flat angles C4'-P-C4' energy: -144.730
flat angles P-C4'-P energy: -110.817
tors. eta vs tors. theta energy: -167.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2176.804320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.804320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.804320 (E_RNA)
where:
Base-Base interactions energy: -1497.386
where: short stacking energy: -649.815
Base-Backbone interact. energy: -4.611
local terms energy: -674.807529
where:
bonds (distance) C4'-P energy: -129.703
bonds (distance) P-C4' energy: -134.839
flat angles C4'-P-C4' energy: -155.374
flat angles P-C4'-P energy: -82.165
tors. eta vs tors. theta energy: -172.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1906.252105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.252105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.252105 (E_RNA)
where:
Base-Base interactions energy: -1283.317
where: short stacking energy: -566.969
Base-Backbone interact. energy: 1.799
local terms energy: -624.734011
where:
bonds (distance) C4'-P energy: -134.221
bonds (distance) P-C4' energy: -133.597
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -77.969
tors. eta vs tors. theta energy: -138.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1793.982448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.982448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.982448 (E_RNA)
where:
Base-Base interactions energy: -1187.418
where: short stacking energy: -554.565
Base-Backbone interact. energy: -1.325
local terms energy: -605.239819
where:
bonds (distance) C4'-P energy: -119.637
bonds (distance) P-C4' energy: -125.440
flat angles C4'-P-C4' energy: -120.690
flat angles P-C4'-P energy: -91.999
tors. eta vs tors. theta energy: -147.473
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: 152
Temperature: 1.200000
Total energy: -1529.666254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.666254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.666254 (E_RNA)
where:
Base-Base interactions energy: -965.573
where: short stacking energy: -424.113
Base-Backbone interact. energy: 2.942
local terms energy: -567.035464
where:
bonds (distance) C4'-P energy: -132.522
bonds (distance) P-C4' energy: -129.687
flat angles C4'-P-C4' energy: -132.302
flat angles P-C4'-P energy: -85.470
tors. eta vs tors. theta energy: -87.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1231.639053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.639053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.639053 (E_RNA)
where:
Base-Base interactions energy: -734.976
where: short stacking energy: -390.442
Base-Backbone interact. energy: -2.297
local terms energy: -494.365986
where:
bonds (distance) C4'-P energy: -128.689
bonds (distance) P-C4' energy: -119.386
flat angles C4'-P-C4' energy: -117.260
flat angles P-C4'-P energy: -57.462
tors. eta vs tors. theta energy: -71.569
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: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -976.754830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.754830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.754830 (E_RNA)
where:
Base-Base interactions energy: -538.266
where: short stacking energy: -279.453
Base-Backbone interact. energy: 1.093
local terms energy: -439.581672
where:
bonds (distance) C4'-P energy: -103.129
bonds (distance) P-C4' energy: -128.229
flat angles C4'-P-C4' energy: -122.712
flat angles P-C4'-P energy: -55.808
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -810.259043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.259043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.259043 (E_RNA)
where:
Base-Base interactions energy: -397.455
where: short stacking energy: -244.108
Base-Backbone interact. energy: -3.120
local terms energy: -409.683255
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -114.563
flat angles C4'-P-C4' energy: -111.523
flat angles P-C4'-P energy: -73.712
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2553.532781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.532781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.532781 (E_RNA)
where:
Base-Base interactions energy: -1757.532
where: short stacking energy: -760.782
Base-Backbone interact. energy: -3.290
local terms energy: -792.710229
where:
bonds (distance) C4'-P energy: -148.307
bonds (distance) P-C4' energy: -150.428
flat angles C4'-P-C4' energy: -162.986
flat angles P-C4'-P energy: -107.230
tors. eta vs tors. theta energy: -223.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2442.321863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.321863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.321863 (E_RNA)
where:
Base-Base interactions energy: -1674.280
where: short stacking energy: -729.571
Base-Backbone interact. energy: -2.957
local terms energy: -765.084768
where:
bonds (distance) C4'-P energy: -121.248
bonds (distance) P-C4' energy: -158.498
flat angles C4'-P-C4' energy: -170.622
flat angles P-C4'-P energy: -99.750
tors. eta vs tors. theta energy: -214.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2262.813181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.813181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.813181 (E_RNA)
where:
Base-Base interactions energy: -1571.511
where: short stacking energy: -660.629
Base-Backbone interact. energy: 4.623
local terms energy: -695.925673
where:
bonds (distance) C4'-P energy: -126.874
bonds (distance) P-C4' energy: -146.877
flat angles C4'-P-C4' energy: -142.491
flat angles P-C4'-P energy: -98.438
tors. eta vs tors. theta energy: -181.245
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: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2181.062929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.062929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.062929 (E_RNA)
where:
Base-Base interactions energy: -1505.812
where: short stacking energy: -682.539
Base-Backbone interact. energy: -4.497
local terms energy: -670.753838
where:
bonds (distance) C4'-P energy: -139.230
bonds (distance) P-C4' energy: -134.953
flat angles C4'-P-C4' energy: -126.581
flat angles P-C4'-P energy: -87.397
tors. eta vs tors. theta energy: -182.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1934.022935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.022935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.022935 (E_RNA)
where:
Base-Base interactions energy: -1271.882
where: short stacking energy: -560.496
Base-Backbone interact. energy: 1.252
local terms energy: -663.393398
where:
bonds (distance) C4'-P energy: -127.577
bonds (distance) P-C4' energy: -135.449
flat angles C4'-P-C4' energy: -139.954
flat angles P-C4'-P energy: -99.215
tors. eta vs tors. theta energy: -161.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1754.561874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.561874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.561874 (E_RNA)
where:
Base-Base interactions energy: -1150.507
where: short stacking energy: -519.468
Base-Backbone interact. energy: -0.686
local terms energy: -603.369263
where:
bonds (distance) C4'-P energy: -109.023
bonds (distance) P-C4' energy: -132.877
flat angles C4'-P-C4' energy: -136.766
flat angles P-C4'-P energy: -71.234
tors. eta vs tors. theta energy: -153.470
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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1462.336430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.336430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.336430 (E_RNA)
where:
Base-Base interactions energy: -903.519
where: short stacking energy: -419.046
Base-Backbone interact. energy: -0.715
local terms energy: -558.102137
where:
bonds (distance) C4'-P energy: -112.621
bonds (distance) P-C4' energy: -124.574
flat angles C4'-P-C4' energy: -139.959
flat angles P-C4'-P energy: -88.874
tors. eta vs tors. theta energy: -92.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1252.079162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.079162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.079162 (E_RNA)
where:
Base-Base interactions energy: -775.779
where: short stacking energy: -395.280
Base-Backbone interact. energy: -2.732
local terms energy: -473.567483
where:
bonds (distance) C4'-P energy: -91.643
bonds (distance) P-C4' energy: -115.078
flat angles C4'-P-C4' energy: -122.121
flat angles P-C4'-P energy: -80.025
tors. eta vs tors. theta energy: -64.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -983.712703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.712703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.712703 (E_RNA)
where:
Base-Base interactions energy: -591.711
where: short stacking energy: -281.708
Base-Backbone interact. energy: 4.833
local terms energy: -396.835108
where:
bonds (distance) C4'-P energy: -100.754
bonds (distance) P-C4' energy: -111.039
flat angles C4'-P-C4' energy: -108.394
flat angles P-C4'-P energy: -67.197
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -803.571392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.571392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.571392 (E_RNA)
where:
Base-Base interactions energy: -420.532
where: short stacking energy: -243.222
Base-Backbone interact. energy: 1.019
local terms energy: -384.057758
where:
bonds (distance) C4'-P energy: -116.960
bonds (distance) P-C4' energy: -116.533
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -13.368
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: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2545.300150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.300150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.300150 (E_RNA)
where:
Base-Base interactions energy: -1759.647
where: short stacking energy: -770.971
Base-Backbone interact. energy: -4.383
local terms energy: -781.270062
where:
bonds (distance) C4'-P energy: -148.320
bonds (distance) P-C4' energy: -136.574
flat angles C4'-P-C4' energy: -162.276
flat angles P-C4'-P energy: -111.956
tors. eta vs tors. theta energy: -222.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2462.492316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.492316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.492316 (E_RNA)
where:
Base-Base interactions energy: -1695.980
where: short stacking energy: -738.849
Base-Backbone interact. energy: -0.834
local terms energy: -765.678023
where:
bonds (distance) C4'-P energy: -133.612
bonds (distance) P-C4' energy: -135.589
flat angles C4'-P-C4' energy: -171.428
flat angles P-C4'-P energy: -113.819
tors. eta vs tors. theta energy: -211.230
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: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2279.089868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.089868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.089868 (E_RNA)
where:
Base-Base interactions energy: -1607.833
where: short stacking energy: -643.887
Base-Backbone interact. energy: 3.275
local terms energy: -674.531400
where:
bonds (distance) C4'-P energy: -130.625
bonds (distance) P-C4' energy: -131.802
flat angles C4'-P-C4' energy: -137.795
flat angles P-C4'-P energy: -98.998
tors. eta vs tors. theta energy: -175.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2191.175350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.175350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.175350 (E_RNA)
where:
Base-Base interactions energy: -1504.446
where: short stacking energy: -652.384
Base-Backbone interact. energy: -2.231
local terms energy: -684.498393
where:
bonds (distance) C4'-P energy: -123.792
bonds (distance) P-C4' energy: -130.403
flat angles C4'-P-C4' energy: -149.104
flat angles P-C4'-P energy: -100.030
tors. eta vs tors. theta energy: -181.169
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: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2003.855578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.855578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.855578 (E_RNA)
where:
Base-Base interactions energy: -1350.927
where: short stacking energy: -614.313
Base-Backbone interact. energy: -0.752
local terms energy: -652.176145
where:
bonds (distance) C4'-P energy: -132.030
bonds (distance) P-C4' energy: -113.584
flat angles C4'-P-C4' energy: -147.253
flat angles P-C4'-P energy: -97.715
tors. eta vs tors. theta energy: -161.593
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: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1787.027734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.027734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.027734 (E_RNA)
where:
Base-Base interactions energy: -1174.359
where: short stacking energy: -518.393
Base-Backbone interact. energy: -3.222
local terms energy: -609.446085
where:
bonds (distance) C4'-P energy: -128.511
bonds (distance) P-C4' energy: -131.794
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -72.062
tors. eta vs tors. theta energy: -129.420
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: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1473.337974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.337974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.337974 (E_RNA)
where:
Base-Base interactions energy: -940.445
where: short stacking energy: -412.815
Base-Backbone interact. energy: 1.330
local terms energy: -534.222724
where:
bonds (distance) C4'-P energy: -100.061
bonds (distance) P-C4' energy: -131.693
flat angles C4'-P-C4' energy: -127.879
flat angles P-C4'-P energy: -75.481
tors. eta vs tors. theta energy: -99.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1219.531453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.531453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.531453 (E_RNA)
where:
Base-Base interactions energy: -732.043
where: short stacking energy: -341.060
Base-Backbone interact. energy: 2.368
local terms energy: -489.855838
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -120.643
flat angles C4'-P-C4' energy: -115.601
flat angles P-C4'-P energy: -67.988
tors. eta vs tors. theta energy: -69.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1021.830788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.830788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.830788 (E_RNA)
where:
Base-Base interactions energy: -586.836
where: short stacking energy: -308.035
Base-Backbone interact. energy: -3.086
local terms energy: -431.908164
where:
bonds (distance) C4'-P energy: -107.736
bonds (distance) P-C4' energy: -125.426
flat angles C4'-P-C4' energy: -97.055
flat angles P-C4'-P energy: -65.197
tors. eta vs tors. theta energy: -36.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -834.492566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.492566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.492566 (E_RNA)
where:
Base-Base interactions energy: -433.375
where: short stacking energy: -243.673
Base-Backbone interact. energy: -1.915
local terms energy: -399.202119
where:
bonds (distance) C4'-P energy: -107.706
bonds (distance) P-C4' energy: -127.528
flat angles C4'-P-C4' energy: -85.532
flat angles P-C4'-P energy: -68.572
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2539.238735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.238735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.238735 (E_RNA)
where:
Base-Base interactions energy: -1749.764
where: short stacking energy: -755.182
Base-Backbone interact. energy: -1.253
local terms energy: -788.221600
where:
bonds (distance) C4'-P energy: -157.583
bonds (distance) P-C4' energy: -146.097
flat angles C4'-P-C4' energy: -162.083
flat angles P-C4'-P energy: -98.926
tors. eta vs tors. theta energy: -223.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2427.270812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.270812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.270812 (E_RNA)
where:
Base-Base interactions energy: -1668.590
where: short stacking energy: -735.201
Base-Backbone interact. energy: -2.483
local terms energy: -756.196964
where:
bonds (distance) C4'-P energy: -120.011
bonds (distance) P-C4' energy: -140.034
flat angles C4'-P-C4' energy: -172.159
flat angles P-C4'-P energy: -110.477
tors. eta vs tors. theta energy: -213.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2285.683248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.683248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.683248 (E_RNA)
where:
Base-Base interactions energy: -1594.487
where: short stacking energy: -627.700
Base-Backbone interact. energy: -3.211
local terms energy: -687.985658
where:
bonds (distance) C4'-P energy: -129.923
bonds (distance) P-C4' energy: -146.938
flat angles C4'-P-C4' energy: -151.862
flat angles P-C4'-P energy: -86.006
tors. eta vs tors. theta energy: -173.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2171.611861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.611861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.611861 (E_RNA)
where:
Base-Base interactions energy: -1493.307
where: short stacking energy: -645.034
Base-Backbone interact. energy: -1.660
local terms energy: -676.645117
where:
bonds (distance) C4'-P energy: -123.988
bonds (distance) P-C4' energy: -122.576
flat angles C4'-P-C4' energy: -153.605
flat angles P-C4'-P energy: -87.120
tors. eta vs tors. theta energy: -189.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1924.809952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.809952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.809952 (E_RNA)
where:
Base-Base interactions energy: -1280.009
where: short stacking energy: -582.384
Base-Backbone interact. energy: 0.426
local terms energy: -645.227378
where:
bonds (distance) C4'-P energy: -144.968
bonds (distance) P-C4' energy: -138.756
flat angles C4'-P-C4' energy: -132.564
flat angles P-C4'-P energy: -74.180
tors. eta vs tors. theta energy: -154.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1747.880622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.880622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.880622 (E_RNA)
where:
Base-Base interactions energy: -1163.577
where: short stacking energy: -526.526
Base-Backbone interact. energy: 0.849
local terms energy: -585.152737
where:
bonds (distance) C4'-P energy: -110.260
bonds (distance) P-C4' energy: -128.389
flat angles C4'-P-C4' energy: -134.117
flat angles P-C4'-P energy: -77.533
tors. eta vs tors. theta energy: -134.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1474.601025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.601025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.601025 (E_RNA)
where:
Base-Base interactions energy: -911.538
where: short stacking energy: -429.638
Base-Backbone interact. energy: -2.153
local terms energy: -560.910535
where:
bonds (distance) C4'-P energy: -124.966
bonds (distance) P-C4' energy: -135.284
flat angles C4'-P-C4' energy: -127.802
flat angles P-C4'-P energy: -88.148
tors. eta vs tors. theta energy: -84.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1251.543584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.543584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.543584 (E_RNA)
where:
Base-Base interactions energy: -759.229
where: short stacking energy: -367.597
Base-Backbone interact. energy: -3.636
local terms energy: -488.678643
where:
bonds (distance) C4'-P energy: -119.280
bonds (distance) P-C4' energy: -128.584
flat angles C4'-P-C4' energy: -119.807
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -60.606
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: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1014.780934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.780934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.780934 (E_RNA)
where:
Base-Base interactions energy: -601.991
where: short stacking energy: -308.241
Base-Backbone interact. energy: 2.980
local terms energy: -415.769664
where:
bonds (distance) C4'-P energy: -117.015
bonds (distance) P-C4' energy: -87.065
flat angles C4'-P-C4' energy: -111.756
flat angles P-C4'-P energy: -69.014
tors. eta vs tors. theta energy: -30.919
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: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -856.422383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.422383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.422383 (E_RNA)
where:
Base-Base interactions energy: -486.490
where: short stacking energy: -252.304
Base-Backbone interact. energy: 0.991
local terms energy: -370.923397
where:
bonds (distance) C4'-P energy: -97.447
bonds (distance) P-C4' energy: -110.007
flat angles C4'-P-C4' energy: -103.204
flat angles P-C4'-P energy: -58.106
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2540.434189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.434189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.434189 (E_RNA)
where:
Base-Base interactions energy: -1776.821
where: short stacking energy: -766.929
Base-Backbone interact. energy: 1.355
local terms energy: -764.967702
where:
bonds (distance) C4'-P energy: -144.408
bonds (distance) P-C4' energy: -139.872
flat angles C4'-P-C4' energy: -155.523
flat angles P-C4'-P energy: -100.847
tors. eta vs tors. theta energy: -224.318
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: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2457.705421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.705421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.705421 (E_RNA)
where:
Base-Base interactions energy: -1686.055
where: short stacking energy: -727.153
Base-Backbone interact. energy: -1.347
local terms energy: -770.303210
where:
bonds (distance) C4'-P energy: -137.389
bonds (distance) P-C4' energy: -145.162
flat angles C4'-P-C4' energy: -156.366
flat angles P-C4'-P energy: -114.863
tors. eta vs tors. theta energy: -216.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2256.214330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.214330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.214330 (E_RNA)
where:
Base-Base interactions energy: -1580.085
where: short stacking energy: -679.197
Base-Backbone interact. energy: -3.733
local terms energy: -672.395510
where:
bonds (distance) C4'-P energy: -124.993
bonds (distance) P-C4' energy: -130.345
flat angles C4'-P-C4' energy: -136.418
flat angles P-C4'-P energy: -88.507
tors. eta vs tors. theta energy: -192.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2201.604820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.604820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.604820 (E_RNA)
where:
Base-Base interactions energy: -1522.092
where: short stacking energy: -661.738
Base-Backbone interact. energy: -2.073
local terms energy: -677.439493
where:
bonds (distance) C4'-P energy: -131.298
bonds (distance) P-C4' energy: -126.697
flat angles C4'-P-C4' energy: -132.379
flat angles P-C4'-P energy: -100.280
tors. eta vs tors. theta energy: -186.785
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: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1895.941896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.941896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.941896 (E_RNA)
where:
Base-Base interactions energy: -1252.906
where: short stacking energy: -567.938
Base-Backbone interact. energy: -0.378
local terms energy: -642.658226
where:
bonds (distance) C4'-P energy: -109.050
bonds (distance) P-C4' energy: -146.486
flat angles C4'-P-C4' energy: -148.020
flat angles P-C4'-P energy: -89.908
tors. eta vs tors. theta energy: -149.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1689.756175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.756175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.756175 (E_RNA)
where:
Base-Base interactions energy: -1107.524
where: short stacking energy: -508.256
Base-Backbone interact. energy: -4.328
local terms energy: -577.904690
where:
bonds (distance) C4'-P energy: -104.205
bonds (distance) P-C4' energy: -124.716
flat angles C4'-P-C4' energy: -137.101
flat angles P-C4'-P energy: -86.220
tors. eta vs tors. theta energy: -125.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1548.370731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.370731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.370731 (E_RNA)
where:
Base-Base interactions energy: -998.989
where: short stacking energy: -473.506
Base-Backbone interact. energy: -1.765
local terms energy: -547.616380
where:
bonds (distance) C4'-P energy: -107.383
bonds (distance) P-C4' energy: -118.801
flat angles C4'-P-C4' energy: -116.851
flat angles P-C4'-P energy: -88.719
tors. eta vs tors. theta energy: -115.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1265.884392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.884392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.884392 (E_RNA)
where:
Base-Base interactions energy: -769.964
where: short stacking energy: -373.027
Base-Backbone interact. energy: -2.988
local terms energy: -492.932530
where:
bonds (distance) C4'-P energy: -119.830
bonds (distance) P-C4' energy: -128.844
flat angles C4'-P-C4' energy: -116.344
flat angles P-C4'-P energy: -76.003
tors. eta vs tors. theta energy: -51.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1023.513000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.513000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.513000 (E_RNA)
where:
Base-Base interactions energy: -592.142
where: short stacking energy: -321.264
Base-Backbone interact. energy: 0.998
local terms energy: -432.368671
where:
bonds (distance) C4'-P energy: -111.241
bonds (distance) P-C4' energy: -116.205
flat angles C4'-P-C4' energy: -95.117
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -36.659
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: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -889.686601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.686601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.686601 (E_RNA)
where:
Base-Base interactions energy: -523.782
where: short stacking energy: -292.108
Base-Backbone interact. energy: -1.144
local terms energy: -364.760224
where:
bonds (distance) C4'-P energy: -94.105
bonds (distance) P-C4' energy: -88.178
flat angles C4'-P-C4' energy: -107.542
flat angles P-C4'-P energy: -58.193
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2517.995895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.995895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.995895 (E_RNA)
where:
Base-Base interactions energy: -1731.652
where: short stacking energy: -738.181
Base-Backbone interact. energy: -3.237
local terms energy: -783.107485
where:
bonds (distance) C4'-P energy: -139.046
bonds (distance) P-C4' energy: -147.070
flat angles C4'-P-C4' energy: -156.975
flat angles P-C4'-P energy: -115.582
tors. eta vs tors. theta energy: -224.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2511.132150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.132150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.132150 (E_RNA)
where:
Base-Base interactions energy: -1749.155
where: short stacking energy: -766.592
Base-Backbone interact. energy: -4.550
local terms energy: -757.426894
where:
bonds (distance) C4'-P energy: -136.919
bonds (distance) P-C4' energy: -131.855
flat angles C4'-P-C4' energy: -157.422
flat angles P-C4'-P energy: -109.212
tors. eta vs tors. theta energy: -222.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2224.579655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.579655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.579655 (E_RNA)
where:
Base-Base interactions energy: -1527.459
where: short stacking energy: -643.710
Base-Backbone interact. energy: -0.702
local terms energy: -696.417821
where:
bonds (distance) C4'-P energy: -121.125
bonds (distance) P-C4' energy: -138.138
flat angles C4'-P-C4' energy: -148.014
flat angles P-C4'-P energy: -101.214
tors. eta vs tors. theta energy: -187.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2185.014911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.014911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.014911 (E_RNA)
where:
Base-Base interactions energy: -1499.419
where: short stacking energy: -651.200
Base-Backbone interact. energy: -0.539
local terms energy: -685.056742
where:
bonds (distance) C4'-P energy: -128.779
bonds (distance) P-C4' energy: -129.421
flat angles C4'-P-C4' energy: -148.204
flat angles P-C4'-P energy: -96.211
tors. eta vs tors. theta energy: -182.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1886.226765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.226765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.226765 (E_RNA)
where:
Base-Base interactions energy: -1254.765
where: short stacking energy: -579.875
Base-Backbone interact. energy: 0.083
local terms energy: -631.544198
where:
bonds (distance) C4'-P energy: -126.152
bonds (distance) P-C4' energy: -122.217
flat angles C4'-P-C4' energy: -139.208
flat angles P-C4'-P energy: -81.084
tors. eta vs tors. theta energy: -162.884
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: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1646.018159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.018159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.018159 (E_RNA)
where:
Base-Base interactions energy: -1088.754
where: short stacking energy: -492.840
Base-Backbone interact. energy: 0.476
local terms energy: -557.739928
where:
bonds (distance) C4'-P energy: -124.584
bonds (distance) P-C4' energy: -113.140
flat angles C4'-P-C4' energy: -126.431
flat angles P-C4'-P energy: -85.125
tors. eta vs tors. theta energy: -108.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1540.022722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.022722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.022722 (E_RNA)
where:
Base-Base interactions energy: -984.383
where: short stacking energy: -447.442
Base-Backbone interact. energy: 2.114
local terms energy: -557.754687
where:
bonds (distance) C4'-P energy: -133.931
bonds (distance) P-C4' energy: -124.138
flat angles C4'-P-C4' energy: -123.390
flat angles P-C4'-P energy: -81.809
tors. eta vs tors. theta energy: -94.487
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: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1226.185790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.185790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.185790 (E_RNA)
where:
Base-Base interactions energy: -726.137
where: short stacking energy: -358.406
Base-Backbone interact. energy: -1.748
local terms energy: -498.301020
where:
bonds (distance) C4'-P energy: -123.602
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -109.634
flat angles P-C4'-P energy: -76.921
tors. eta vs tors. theta energy: -67.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1040.308180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.308180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.308180 (E_RNA)
where:
Base-Base interactions energy: -590.151
where: short stacking energy: -279.268
Base-Backbone interact. energy: -3.730
local terms energy: -446.427401
where:
bonds (distance) C4'-P energy: -103.426
bonds (distance) P-C4' energy: -112.100
flat angles C4'-P-C4' energy: -120.843
flat angles P-C4'-P energy: -71.961
tors. eta vs tors. theta energy: -38.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -790.275967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.275967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.275967 (E_RNA)
where:
Base-Base interactions energy: -396.868
where: short stacking energy: -231.640
Base-Backbone interact. energy: 1.482
local terms energy: -394.889781
where:
bonds (distance) C4'-P energy: -124.915
bonds (distance) P-C4' energy: -113.758
flat angles C4'-P-C4' energy: -76.379
flat angles P-C4'-P energy: -71.826
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2516.820881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.820881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.820881 (E_RNA)
where:
Base-Base interactions energy: -1736.994
where: short stacking energy: -765.679
Base-Backbone interact. energy: -2.990
local terms energy: -776.836961
where:
bonds (distance) C4'-P energy: -136.759
bonds (distance) P-C4' energy: -140.435
flat angles C4'-P-C4' energy: -168.172
flat angles P-C4'-P energy: -117.070
tors. eta vs tors. theta energy: -214.401
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: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2457.981942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.981942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.981942 (E_RNA)
where:
Base-Base interactions energy: -1705.566
where: short stacking energy: -743.155
Base-Backbone interact. energy: -3.972
local terms energy: -748.443971
where:
bonds (distance) C4'-P energy: -128.985
bonds (distance) P-C4' energy: -134.895
flat angles C4'-P-C4' energy: -159.824
flat angles P-C4'-P energy: -108.698
tors. eta vs tors. theta energy: -216.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2302.420885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.420885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.420885 (E_RNA)
where:
Base-Base interactions energy: -1595.161
where: short stacking energy: -706.314
Base-Backbone interact. energy: 5.485
local terms energy: -712.744911
where:
bonds (distance) C4'-P energy: -137.559
bonds (distance) P-C4' energy: -136.870
flat angles C4'-P-C4' energy: -140.501
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -211.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2187.680381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.680381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.680381 (E_RNA)
where:
Base-Base interactions energy: -1493.380
where: short stacking energy: -642.439
Base-Backbone interact. energy: -3.571
local terms energy: -690.729597
where:
bonds (distance) C4'-P energy: -130.545
bonds (distance) P-C4' energy: -123.882
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -96.156
tors. eta vs tors. theta energy: -196.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1907.182261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.182261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.182261 (E_RNA)
where:
Base-Base interactions energy: -1265.506
where: short stacking energy: -594.113
Base-Backbone interact. energy: -0.713
local terms energy: -640.963189
where:
bonds (distance) C4'-P energy: -122.464
bonds (distance) P-C4' energy: -139.260
flat angles C4'-P-C4' energy: -134.775
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -164.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1726.099195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.099195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.099195 (E_RNA)
where:
Base-Base interactions energy: -1110.118
where: short stacking energy: -542.019
Base-Backbone interact. energy: -2.606
local terms energy: -613.375582
where:
bonds (distance) C4'-P energy: -112.669
bonds (distance) P-C4' energy: -137.925
flat angles C4'-P-C4' energy: -123.181
flat angles P-C4'-P energy: -98.886
tors. eta vs tors. theta energy: -140.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1563.871340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.871340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.871340 (E_RNA)
where:
Base-Base interactions energy: -1019.246
where: short stacking energy: -499.137
Base-Backbone interact. energy: -0.314
local terms energy: -544.311401
where:
bonds (distance) C4'-P energy: -104.715
bonds (distance) P-C4' energy: -115.994
flat angles C4'-P-C4' energy: -138.291
flat angles P-C4'-P energy: -78.476
tors. eta vs tors. theta energy: -106.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1235.754732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.754732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.754732 (E_RNA)
where:
Base-Base interactions energy: -754.817
where: short stacking energy: -374.888
Base-Backbone interact. energy: 4.222
local terms energy: -485.159675
where:
bonds (distance) C4'-P energy: -134.247
bonds (distance) P-C4' energy: -125.883
flat angles C4'-P-C4' energy: -107.845
flat angles P-C4'-P energy: -55.542
tors. eta vs tors. theta energy: -61.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -957.294090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.294090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.294090 (E_RNA)
where:
Base-Base interactions energy: -526.563
where: short stacking energy: -277.587
Base-Backbone interact. energy: 0.379
local terms energy: -431.109609
where:
bonds (distance) C4'-P energy: -101.992
bonds (distance) P-C4' energy: -123.018
flat angles C4'-P-C4' energy: -108.655
flat angles P-C4'-P energy: -74.167
tors. eta vs tors. theta energy: -23.277
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: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -831.768501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.768501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.768501 (E_RNA)
where:
Base-Base interactions energy: -444.229
where: short stacking energy: -277.958
Base-Backbone interact. energy: 4.228
local terms energy: -391.767398
where:
bonds (distance) C4'-P energy: -105.314
bonds (distance) P-C4' energy: -112.635
flat angles C4'-P-C4' energy: -105.230
flat angles P-C4'-P energy: -61.188
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2505.290094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.290094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.290094 (E_RNA)
where:
Base-Base interactions energy: -1722.973
where: short stacking energy: -785.169
Base-Backbone interact. energy: -5.089
local terms energy: -777.228138
where:
bonds (distance) C4'-P energy: -132.070
bonds (distance) P-C4' energy: -148.045
flat angles C4'-P-C4' energy: -158.968
flat angles P-C4'-P energy: -112.897
tors. eta vs tors. theta energy: -225.248
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: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2460.501083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.501083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.501083 (E_RNA)
where:
Base-Base interactions energy: -1736.604
where: short stacking energy: -755.584
Base-Backbone interact. energy: 3.058
local terms energy: -726.955874
where:
bonds (distance) C4'-P energy: -129.784
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -155.309
flat angles P-C4'-P energy: -96.724
tors. eta vs tors. theta energy: -220.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2276.949524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.949524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.949524 (E_RNA)
where:
Base-Base interactions energy: -1569.687
where: short stacking energy: -704.899
Base-Backbone interact. energy: 5.046
local terms energy: -712.309159
where:
bonds (distance) C4'-P energy: -127.626
bonds (distance) P-C4' energy: -131.980
flat angles C4'-P-C4' energy: -148.351
flat angles P-C4'-P energy: -106.275
tors. eta vs tors. theta energy: -198.077
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: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2147.194251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.194251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.194251 (E_RNA)
where:
Base-Base interactions energy: -1491.268
where: short stacking energy: -640.973
Base-Backbone interact. energy: -1.472
local terms energy: -654.454979
where:
bonds (distance) C4'-P energy: -123.002
bonds (distance) P-C4' energy: -131.001
flat angles C4'-P-C4' energy: -149.342
flat angles P-C4'-P energy: -80.987
tors. eta vs tors. theta energy: -170.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1906.371709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.371709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.371709 (E_RNA)
where:
Base-Base interactions energy: -1285.602
where: short stacking energy: -588.317
Base-Backbone interact. energy: 5.984
local terms energy: -626.753322
where:
bonds (distance) C4'-P energy: -130.711
bonds (distance) P-C4' energy: -124.247
flat angles C4'-P-C4' energy: -139.563
flat angles P-C4'-P energy: -87.289
tors. eta vs tors. theta energy: -144.945
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: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1700.790221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.790221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.790221 (E_RNA)
where:
Base-Base interactions energy: -1126.043
where: short stacking energy: -544.427
Base-Backbone interact. energy: -0.084
local terms energy: -574.662902
where:
bonds (distance) C4'-P energy: -118.715
bonds (distance) P-C4' energy: -134.030
flat angles C4'-P-C4' energy: -114.864
flat angles P-C4'-P energy: -89.658
tors. eta vs tors. theta energy: -117.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1585.517682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.517682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.517682 (E_RNA)
where:
Base-Base interactions energy: -1027.496
where: short stacking energy: -470.423
Base-Backbone interact. energy: -3.770
local terms energy: -554.252479
where:
bonds (distance) C4'-P energy: -120.093
bonds (distance) P-C4' energy: -133.161
flat angles C4'-P-C4' energy: -138.053
flat angles P-C4'-P energy: -73.671
tors. eta vs tors. theta energy: -89.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1247.052499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.052499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.052499 (E_RNA)
where:
Base-Base interactions energy: -755.389
where: short stacking energy: -378.567
Base-Backbone interact. energy: 6.119
local terms energy: -497.781922
where:
bonds (distance) C4'-P energy: -120.826
bonds (distance) P-C4' energy: -115.115
flat angles C4'-P-C4' energy: -116.075
flat angles P-C4'-P energy: -74.343
tors. eta vs tors. theta energy: -71.423
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: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -979.911065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.911065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.911065 (E_RNA)
where:
Base-Base interactions energy: -577.196
where: short stacking energy: -293.807
Base-Backbone interact. energy: 4.770
local terms energy: -407.485071
where:
bonds (distance) C4'-P energy: -103.121
bonds (distance) P-C4' energy: -114.494
flat angles C4'-P-C4' energy: -98.045
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -892.132882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.132882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.132882 (E_RNA)
where:
Base-Base interactions energy: -449.995
where: short stacking energy: -238.105
Base-Backbone interact. energy: -2.853
local terms energy: -439.284298
where:
bonds (distance) C4'-P energy: -123.778
bonds (distance) P-C4' energy: -116.334
flat angles C4'-P-C4' energy: -116.726
flat angles P-C4'-P energy: -65.368
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2523.056224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.056224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.056224 (E_RNA)
where:
Base-Base interactions energy: -1744.382
where: short stacking energy: -760.229
Base-Backbone interact. energy: -1.819
local terms energy: -776.855507
where:
bonds (distance) C4'-P energy: -133.701
bonds (distance) P-C4' energy: -139.596
flat angles C4'-P-C4' energy: -167.958
flat angles P-C4'-P energy: -112.210
tors. eta vs tors. theta energy: -223.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2463.746347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.746347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.746347 (E_RNA)
where:
Base-Base interactions energy: -1688.523
where: short stacking energy: -742.615
Base-Backbone interact. energy: 0.522
local terms energy: -775.745876
where:
bonds (distance) C4'-P energy: -138.075
bonds (distance) P-C4' energy: -144.310
flat angles C4'-P-C4' energy: -159.490
flat angles P-C4'-P energy: -111.511
tors. eta vs tors. theta energy: -222.361
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: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2282.235008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.235008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.235008 (E_RNA)
where:
Base-Base interactions energy: -1536.617
where: short stacking energy: -669.793
Base-Backbone interact. energy: -2.940
local terms energy: -742.678583
where:
bonds (distance) C4'-P energy: -138.965
bonds (distance) P-C4' energy: -140.197
flat angles C4'-P-C4' energy: -159.273
flat angles P-C4'-P energy: -108.598
tors. eta vs tors. theta energy: -195.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2175.753401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.753401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.753401 (E_RNA)
where:
Base-Base interactions energy: -1520.660
where: short stacking energy: -636.300
Base-Backbone interact. energy: -0.480
local terms energy: -654.614053
where:
bonds (distance) C4'-P energy: -119.061
bonds (distance) P-C4' energy: -131.692
flat angles C4'-P-C4' energy: -153.043
flat angles P-C4'-P energy: -82.304
tors. eta vs tors. theta energy: -168.513
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: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1952.364314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.364314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.364314 (E_RNA)
where:
Base-Base interactions energy: -1303.745
where: short stacking energy: -586.757
Base-Backbone interact. energy: 2.084
local terms energy: -650.703582
where:
bonds (distance) C4'-P energy: -130.150
bonds (distance) P-C4' energy: -102.767
flat angles C4'-P-C4' energy: -154.489
flat angles P-C4'-P energy: -97.059
tors. eta vs tors. theta energy: -166.239
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1708.268336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.268336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.268336 (E_RNA)
where:
Base-Base interactions energy: -1109.601
where: short stacking energy: -515.884
Base-Backbone interact. energy: -0.649
local terms energy: -598.018412
where:
bonds (distance) C4'-P energy: -130.065
bonds (distance) P-C4' energy: -118.609
flat angles C4'-P-C4' energy: -123.470
flat angles P-C4'-P energy: -92.899
tors. eta vs tors. theta energy: -132.976
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: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1567.255895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.255895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.255895 (E_RNA)
where:
Base-Base interactions energy: -1010.029
where: short stacking energy: -445.659
Base-Backbone interact. energy: -2.207
local terms energy: -555.020120
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -113.417
flat angles C4'-P-C4' energy: -128.475
flat angles P-C4'-P energy: -96.607
tors. eta vs tors. theta energy: -91.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1335.166786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.166786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.166786 (E_RNA)
where:
Base-Base interactions energy: -849.911
where: short stacking energy: -401.780
Base-Backbone interact. energy: -0.714
local terms energy: -484.542178
where:
bonds (distance) C4'-P energy: -108.166
bonds (distance) P-C4' energy: -112.251
flat angles C4'-P-C4' energy: -124.606
flat angles P-C4'-P energy: -80.311
tors. eta vs tors. theta energy: -59.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -931.113209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.113209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.113209 (E_RNA)
where:
Base-Base interactions energy: -549.296
where: short stacking energy: -308.744
Base-Backbone interact. energy: 3.681
local terms energy: -385.497686
where:
bonds (distance) C4'-P energy: -87.987
bonds (distance) P-C4' energy: -117.978
flat angles C4'-P-C4' energy: -90.727
flat angles P-C4'-P energy: -62.725
tors. eta vs tors. theta energy: -26.080
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: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -880.516768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.516768 (E_RNA)
where:
Base-Base interactions energy: -484.406
where: short stacking energy: -269.582
Base-Backbone interact. energy: 2.814
local terms energy: -398.925085
where:
bonds (distance) C4'-P energy: -99.124
bonds (distance) P-C4' energy: -122.980
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2522.222982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.222982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.222982 (E_RNA)
where:
Base-Base interactions energy: -1742.852
where: short stacking energy: -768.800
Base-Backbone interact. energy: -2.265
local terms energy: -777.105908
where:
bonds (distance) C4'-P energy: -146.526
bonds (distance) P-C4' energy: -128.184
flat angles C4'-P-C4' energy: -168.173
flat angles P-C4'-P energy: -107.809
tors. eta vs tors. theta energy: -226.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2442.574682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.574682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.574682 (E_RNA)
where:
Base-Base interactions energy: -1684.268
where: short stacking energy: -731.858
Base-Backbone interact. energy: -1.468
local terms energy: -756.838547
where:
bonds (distance) C4'-P energy: -126.361
bonds (distance) P-C4' energy: -148.560
flat angles C4'-P-C4' energy: -152.409
flat angles P-C4'-P energy: -116.438
tors. eta vs tors. theta energy: -213.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2270.205539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.205539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.205539 (E_RNA)
where:
Base-Base interactions energy: -1538.501
where: short stacking energy: -700.004
Base-Backbone interact. energy: 0.590
local terms energy: -732.293793
where:
bonds (distance) C4'-P energy: -130.901
bonds (distance) P-C4' energy: -135.888
flat angles C4'-P-C4' energy: -150.945
flat angles P-C4'-P energy: -105.063
tors. eta vs tors. theta energy: -209.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2196.646171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.646171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.646171 (E_RNA)
where:
Base-Base interactions energy: -1548.578
where: short stacking energy: -605.003
Base-Backbone interact. energy: 1.080
local terms energy: -649.148455
where:
bonds (distance) C4'-P energy: -109.385
bonds (distance) P-C4' energy: -126.510
flat angles C4'-P-C4' energy: -154.775
flat angles P-C4'-P energy: -89.693
tors. eta vs tors. theta energy: -168.785
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: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1990.299005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.299005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.299005 (E_RNA)
where:
Base-Base interactions energy: -1334.441
where: short stacking energy: -600.224
Base-Backbone interact. energy: -1.596
local terms energy: -654.262033
where:
bonds (distance) C4'-P energy: -118.521
bonds (distance) P-C4' energy: -138.367
flat angles C4'-P-C4' energy: -140.244
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -166.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1708.215634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.215634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.215634 (E_RNA)
where:
Base-Base interactions energy: -1095.935
where: short stacking energy: -512.392
Base-Backbone interact. energy: 4.709
local terms energy: -616.988948
where:
bonds (distance) C4'-P energy: -137.677
bonds (distance) P-C4' energy: -141.777
flat angles C4'-P-C4' energy: -132.971
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -117.400
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: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1624.818250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.818250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.818250 (E_RNA)
where:
Base-Base interactions energy: -1038.300
where: short stacking energy: -502.083
Base-Backbone interact. energy: -2.500
local terms energy: -584.017978
where:
bonds (distance) C4'-P energy: -126.994
bonds (distance) P-C4' energy: -115.293
flat angles C4'-P-C4' energy: -134.317
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -124.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1356.284120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.284120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.284120 (E_RNA)
where:
Base-Base interactions energy: -890.341
where: short stacking energy: -408.445
Base-Backbone interact. energy: -0.097
local terms energy: -465.846033
where:
bonds (distance) C4'-P energy: -91.420
bonds (distance) P-C4' energy: -115.514
flat angles C4'-P-C4' energy: -115.428
flat angles P-C4'-P energy: -68.387
tors. eta vs tors. theta energy: -75.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -958.704473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.704473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.704473 (E_RNA)
where:
Base-Base interactions energy: -498.160
where: short stacking energy: -267.487
Base-Backbone interact. energy: 2.713
local terms energy: -463.257613
where:
bonds (distance) C4'-P energy: -122.213
bonds (distance) P-C4' energy: -140.882
flat angles C4'-P-C4' energy: -95.232
flat angles P-C4'-P energy: -62.641
tors. eta vs tors. theta energy: -42.289
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: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -895.809322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.809322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.809322 (E_RNA)
where:
Base-Base interactions energy: -471.867
where: short stacking energy: -233.345
Base-Backbone interact. energy: 5.053
local terms energy: -428.994952
where:
bonds (distance) C4'-P energy: -113.253
bonds (distance) P-C4' energy: -124.999
flat angles C4'-P-C4' energy: -101.616
flat angles P-C4'-P energy: -85.532
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2527.917858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.917858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.917858 (E_RNA)
where:
Base-Base interactions energy: -1732.655
where: short stacking energy: -741.891
Base-Backbone interact. energy: 0.700
local terms energy: -795.962713
where:
bonds (distance) C4'-P energy: -138.949
bonds (distance) P-C4' energy: -145.856
flat angles C4'-P-C4' energy: -169.286
flat angles P-C4'-P energy: -116.197
tors. eta vs tors. theta energy: -225.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2448.357034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.357034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.357034 (E_RNA)
where:
Base-Base interactions energy: -1688.599
where: short stacking energy: -712.128
Base-Backbone interact. energy: -1.769
local terms energy: -757.989787
where:
bonds (distance) C4'-P energy: -134.998
bonds (distance) P-C4' energy: -140.913
flat angles C4'-P-C4' energy: -158.510
flat angles P-C4'-P energy: -107.110
tors. eta vs tors. theta energy: -216.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2225.599664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.599664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.599664 (E_RNA)
where:
Base-Base interactions energy: -1561.390
where: short stacking energy: -622.127
Base-Backbone interact. energy: -3.832
local terms energy: -660.378312
where:
bonds (distance) C4'-P energy: -122.060
bonds (distance) P-C4' energy: -127.913
flat angles C4'-P-C4' energy: -143.849
flat angles P-C4'-P energy: -100.066
tors. eta vs tors. theta energy: -166.490
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2188.848201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.848201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.848201 (E_RNA)
where:
Base-Base interactions energy: -1504.303
where: short stacking energy: -674.322
Base-Backbone interact. energy: 1.746
local terms energy: -686.291169
where:
bonds (distance) C4'-P energy: -115.976
bonds (distance) P-C4' energy: -129.463
flat angles C4'-P-C4' energy: -145.523
flat angles P-C4'-P energy: -107.816
tors. eta vs tors. theta energy: -187.513
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1987.794589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.794589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.794589 (E_RNA)
where:
Base-Base interactions energy: -1338.319
where: short stacking energy: -603.448
Base-Backbone interact. energy: 1.749
local terms energy: -651.224732
where:
bonds (distance) C4'-P energy: -123.034
bonds (distance) P-C4' energy: -134.348
flat angles C4'-P-C4' energy: -145.821
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -164.224
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: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1717.611215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.611215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.611215 (E_RNA)
where:
Base-Base interactions energy: -1129.915
where: short stacking energy: -509.637
Base-Backbone interact. energy: -0.961
local terms energy: -586.735040
where:
bonds (distance) C4'-P energy: -122.165
bonds (distance) P-C4' energy: -128.743
flat angles C4'-P-C4' energy: -151.915
flat angles P-C4'-P energy: -66.859
tors. eta vs tors. theta energy: -117.053
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1594.709197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.709197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.709197 (E_RNA)
where:
Base-Base interactions energy: -1006.084
where: short stacking energy: -460.807
Base-Backbone interact. energy: -3.004
local terms energy: -585.620435
where:
bonds (distance) C4'-P energy: -127.854
bonds (distance) P-C4' energy: -126.010
flat angles C4'-P-C4' energy: -139.235
flat angles P-C4'-P energy: -71.910
tors. eta vs tors. theta energy: -120.611
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: 162
Temperature: 1.250000
Total energy: -1220.700400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.700400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.700400 (E_RNA)
where:
Base-Base interactions energy: -753.159
where: short stacking energy: -358.941
Base-Backbone interact. energy: -2.485
local terms energy: -465.055508
where:
bonds (distance) C4'-P energy: -124.454
bonds (distance) P-C4' energy: -141.312
flat angles C4'-P-C4' energy: -103.920
flat angles P-C4'-P energy: -56.797
tors. eta vs tors. theta energy: -38.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -962.086675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.086675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.086675 (E_RNA)
where:
Base-Base interactions energy: -520.690
where: short stacking energy: -275.107
Base-Backbone interact. energy: -2.920
local terms energy: -438.476321
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -128.652
flat angles C4'-P-C4' energy: -118.576
flat angles P-C4'-P energy: -57.223
tors. eta vs tors. theta energy: -32.251
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: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -902.095103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.095103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.095103 (E_RNA)
where:
Base-Base interactions energy: -499.917
where: short stacking energy: -255.919
Base-Backbone interact. energy: 4.373
local terms energy: -406.551366
where:
bonds (distance) C4'-P energy: -109.609
bonds (distance) P-C4' energy: -119.001
flat angles C4'-P-C4' energy: -104.394
flat angles P-C4'-P energy: -48.181
tors. eta vs tors. theta energy: -25.367
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: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2518.738714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.738714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.738714 (E_RNA)
where:
Base-Base interactions energy: -1724.222
where: short stacking energy: -763.099
Base-Backbone interact. energy: -4.246
local terms energy: -790.270585
where:
bonds (distance) C4'-P energy: -133.440
bonds (distance) P-C4' energy: -148.117
flat angles C4'-P-C4' energy: -169.254
flat angles P-C4'-P energy: -118.705
tors. eta vs tors. theta energy: -220.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2461.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.151906 (E_RNA)
where:
Base-Base interactions energy: -1695.626
where: short stacking energy: -735.971
Base-Backbone interact. energy: -2.083
local terms energy: -763.442944
where:
bonds (distance) C4'-P energy: -134.587
bonds (distance) P-C4' energy: -136.892
flat angles C4'-P-C4' energy: -165.301
flat angles P-C4'-P energy: -109.229
tors. eta vs tors. theta energy: -217.434
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: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2289.317687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.317687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.317687 (E_RNA)
where:
Base-Base interactions energy: -1580.402
where: short stacking energy: -646.298
Base-Backbone interact. energy: -5.016
local terms energy: -703.900150
where:
bonds (distance) C4'-P energy: -134.348
bonds (distance) P-C4' energy: -136.140
flat angles C4'-P-C4' energy: -150.274
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -182.353
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2222.937478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.937478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.937478 (E_RNA)
where:
Base-Base interactions energy: -1504.879
where: short stacking energy: -671.535
Base-Backbone interact. energy: -2.129
local terms energy: -715.929993
where:
bonds (distance) C4'-P energy: -121.558
bonds (distance) P-C4' energy: -145.651
flat angles C4'-P-C4' energy: -143.775
flat angles P-C4'-P energy: -102.917
tors. eta vs tors. theta energy: -202.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2006.950245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.950245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.950245 (E_RNA)
where:
Base-Base interactions energy: -1359.524
where: short stacking energy: -609.310
Base-Backbone interact. energy: -1.226
local terms energy: -646.199919
where:
bonds (distance) C4'-P energy: -119.499
bonds (distance) P-C4' energy: -114.712
flat angles C4'-P-C4' energy: -138.862
flat angles P-C4'-P energy: -100.923
tors. eta vs tors. theta energy: -172.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1766.763542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.763542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.763542 (E_RNA)
where:
Base-Base interactions energy: -1163.131
where: short stacking energy: -501.548
Base-Backbone interact. energy: -0.724
local terms energy: -602.908828
where:
bonds (distance) C4'-P energy: -126.068
bonds (distance) P-C4' energy: -129.069
flat angles C4'-P-C4' energy: -123.384
flat angles P-C4'-P energy: -95.057
tors. eta vs tors. theta energy: -129.331
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: 163
Temperature: 1.200000
Total energy: -1613.770722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.770722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.770722 (E_RNA)
where:
Base-Base interactions energy: -1041.872
where: short stacking energy: -471.836
Base-Backbone interact. energy: -0.609
local terms energy: -571.289593
where:
bonds (distance) C4'-P energy: -111.487
bonds (distance) P-C4' energy: -127.879
flat angles C4'-P-C4' energy: -135.760
flat angles P-C4'-P energy: -87.682
tors. eta vs tors. theta energy: -108.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1174.711877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.711877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.711877 (E_RNA)
where:
Base-Base interactions energy: -686.483
where: short stacking energy: -351.294
Base-Backbone interact. energy: -1.205
local terms energy: -487.023318
where:
bonds (distance) C4'-P energy: -121.708
bonds (distance) P-C4' energy: -106.363
flat angles C4'-P-C4' energy: -129.709
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -60.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -990.538887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.538887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.538887 (E_RNA)
where:
Base-Base interactions energy: -579.725
where: short stacking energy: -304.543
Base-Backbone interact. energy: 1.376
local terms energy: -412.189826
where:
bonds (distance) C4'-P energy: -113.061
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -98.317
flat angles P-C4'-P energy: -66.675
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -901.302698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.302698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.302698 (E_RNA)
where:
Base-Base interactions energy: -462.848
where: short stacking energy: -247.793
Base-Backbone interact. energy: 0.930
local terms energy: -439.385065
where:
bonds (distance) C4'-P energy: -120.450
bonds (distance) P-C4' energy: -129.159
flat angles C4'-P-C4' energy: -111.525
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2523.132717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.132717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.132717 (E_RNA)
where:
Base-Base interactions energy: -1728.540
where: short stacking energy: -733.951
Base-Backbone interact. energy: 2.844
local terms energy: -797.436012
where:
bonds (distance) C4'-P energy: -136.475
bonds (distance) P-C4' energy: -158.934
flat angles C4'-P-C4' energy: -170.839
flat angles P-C4'-P energy: -113.518
tors. eta vs tors. theta energy: -217.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2459.216960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.216960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.216960 (E_RNA)
where:
Base-Base interactions energy: -1673.957
where: short stacking energy: -727.698
Base-Backbone interact. energy: -0.535
local terms energy: -784.725653
where:
bonds (distance) C4'-P energy: -139.206
bonds (distance) P-C4' energy: -155.758
flat angles C4'-P-C4' energy: -158.073
flat angles P-C4'-P energy: -110.839
tors. eta vs tors. theta energy: -220.850
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: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2262.295708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.295708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.295708 (E_RNA)
where:
Base-Base interactions energy: -1590.300
where: short stacking energy: -599.079
Base-Backbone interact. energy: 1.756
local terms energy: -673.752337
where:
bonds (distance) C4'-P energy: -132.875
bonds (distance) P-C4' energy: -123.887
flat angles C4'-P-C4' energy: -148.455
flat angles P-C4'-P energy: -102.841
tors. eta vs tors. theta energy: -165.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2140.455523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.455523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.455523 (E_RNA)
where:
Base-Base interactions energy: -1475.213
where: short stacking energy: -647.819
Base-Backbone interact. energy: -2.527
local terms energy: -662.715541
where:
bonds (distance) C4'-P energy: -129.148
bonds (distance) P-C4' energy: -118.266
flat angles C4'-P-C4' energy: -144.820
flat angles P-C4'-P energy: -93.819
tors. eta vs tors. theta energy: -176.663
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: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1936.971557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.971557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.971557 (E_RNA)
where:
Base-Base interactions energy: -1311.467
where: short stacking energy: -597.060
Base-Backbone interact. energy: -2.532
local terms energy: -622.972886
where:
bonds (distance) C4'-P energy: -123.693
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -157.222
flat angles P-C4'-P energy: -79.806
tors. eta vs tors. theta energy: -152.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1764.355231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.355231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.355231 (E_RNA)
where:
Base-Base interactions energy: -1177.145
where: short stacking energy: -544.122
Base-Backbone interact. energy: -1.848
local terms energy: -585.362347
where:
bonds (distance) C4'-P energy: -104.449
bonds (distance) P-C4' energy: -112.606
flat angles C4'-P-C4' energy: -137.873
flat angles P-C4'-P energy: -84.938
tors. eta vs tors. theta energy: -145.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1614.352092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.352092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.352092 (E_RNA)
where:
Base-Base interactions energy: -1052.536
where: short stacking energy: -483.276
Base-Backbone interact. energy: -3.170
local terms energy: -558.646009
where:
bonds (distance) C4'-P energy: -119.448
bonds (distance) P-C4' energy: -115.393
flat angles C4'-P-C4' energy: -136.403
flat angles P-C4'-P energy: -76.083
tors. eta vs tors. theta energy: -111.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1212.496184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.496184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.496184 (E_RNA)
where:
Base-Base interactions energy: -759.028
where: short stacking energy: -351.305
Base-Backbone interact. energy: 0.328
local terms energy: -453.796252
where:
bonds (distance) C4'-P energy: -117.428
bonds (distance) P-C4' energy: -118.251
flat angles C4'-P-C4' energy: -105.167
flat angles P-C4'-P energy: -72.802
tors. eta vs tors. theta energy: -40.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1063.023012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.023012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.023012 (E_RNA)
where:
Base-Base interactions energy: -613.256
where: short stacking energy: -319.924
Base-Backbone interact. energy: 10.482
local terms energy: -460.249022
where:
bonds (distance) C4'-P energy: -109.554
bonds (distance) P-C4' energy: -128.430
flat angles C4'-P-C4' energy: -96.571
flat angles P-C4'-P energy: -75.738
tors. eta vs tors. theta energy: -49.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -914.268245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.268245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.268245 (E_RNA)
where:
Base-Base interactions energy: -497.743
where: short stacking energy: -266.771
Base-Backbone interact. energy: -2.127
local terms energy: -414.398250
where:
bonds (distance) C4'-P energy: -118.129
bonds (distance) P-C4' energy: -118.531
flat angles C4'-P-C4' energy: -110.834
flat angles P-C4'-P energy: -46.207
tors. eta vs tors. theta energy: -20.698
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: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2557.218707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.218707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.218707 (E_RNA)
where:
Base-Base interactions energy: -1752.016
where: short stacking energy: -753.768
Base-Backbone interact. energy: -4.819
local terms energy: -800.383744
where:
bonds (distance) C4'-P energy: -141.649
bonds (distance) P-C4' energy: -151.915
flat angles C4'-P-C4' energy: -174.625
flat angles P-C4'-P energy: -108.353
tors. eta vs tors. theta energy: -223.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2445.860293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.860293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.860293 (E_RNA)
where:
Base-Base interactions energy: -1686.475
where: short stacking energy: -730.802
Base-Backbone interact. energy: -3.656
local terms energy: -755.729196
where:
bonds (distance) C4'-P energy: -116.082
bonds (distance) P-C4' energy: -156.526
flat angles C4'-P-C4' energy: -161.304
flat angles P-C4'-P energy: -104.617
tors. eta vs tors. theta energy: -217.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2293.755630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.755630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.755630 (E_RNA)
where:
Base-Base interactions energy: -1609.562
where: short stacking energy: -630.232
Base-Backbone interact. energy: -1.635
local terms energy: -682.558124
where:
bonds (distance) C4'-P energy: -133.199
bonds (distance) P-C4' energy: -130.280
flat angles C4'-P-C4' energy: -151.867
flat angles P-C4'-P energy: -92.410
tors. eta vs tors. theta energy: -174.803
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: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2124.613282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.613282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.613282 (E_RNA)
where:
Base-Base interactions energy: -1423.547
where: short stacking energy: -614.993
Base-Backbone interact. energy: -2.389
local terms energy: -698.677410
where:
bonds (distance) C4'-P energy: -138.349
bonds (distance) P-C4' energy: -140.289
flat angles C4'-P-C4' energy: -149.699
flat angles P-C4'-P energy: -96.921
tors. eta vs tors. theta energy: -173.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1960.589721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.589721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.589721 (E_RNA)
where:
Base-Base interactions energy: -1327.818
where: short stacking energy: -589.456
Base-Backbone interact. energy: 0.628
local terms energy: -633.400121
where:
bonds (distance) C4'-P energy: -134.874
bonds (distance) P-C4' energy: -118.880
flat angles C4'-P-C4' energy: -129.805
flat angles P-C4'-P energy: -71.674
tors. eta vs tors. theta energy: -178.167
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1820.007024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.007024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.007024 (E_RNA)
where:
Base-Base interactions energy: -1189.553
where: short stacking energy: -520.278
Base-Backbone interact. energy: -0.624
local terms energy: -629.830311
where:
bonds (distance) C4'-P energy: -123.784
bonds (distance) P-C4' energy: -131.158
flat angles C4'-P-C4' energy: -134.752
flat angles P-C4'-P energy: -107.722
tors. eta vs tors. theta energy: -132.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1598.356632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.356632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.356632 (E_RNA)
where:
Base-Base interactions energy: -1030.241
where: short stacking energy: -453.007
Base-Backbone interact. energy: 7.186
local terms energy: -575.302395
where:
bonds (distance) C4'-P energy: -120.234
bonds (distance) P-C4' energy: -143.609
flat angles C4'-P-C4' energy: -130.260
flat angles P-C4'-P energy: -86.696
tors. eta vs tors. theta energy: -94.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1164.180474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.180474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.180474 (E_RNA)
where:
Base-Base interactions energy: -701.768
where: short stacking energy: -332.922
Base-Backbone interact. energy: -2.211
local terms energy: -460.201620
where:
bonds (distance) C4'-P energy: -106.140
bonds (distance) P-C4' energy: -121.542
flat angles C4'-P-C4' energy: -99.723
flat angles P-C4'-P energy: -78.366
tors. eta vs tors. theta energy: -54.430
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: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1157.456462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.456462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.456462 (E_RNA)
where:
Base-Base interactions energy: -727.013
where: short stacking energy: -335.176
Base-Backbone interact. energy: 3.738
local terms energy: -434.181479
where:
bonds (distance) C4'-P energy: -98.054
bonds (distance) P-C4' energy: -117.620
flat angles C4'-P-C4' energy: -91.333
flat angles P-C4'-P energy: -67.971
tors. eta vs tors. theta energy: -59.203
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: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -894.669546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.669546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.669546 (E_RNA)
where:
Base-Base interactions energy: -522.264
where: short stacking energy: -294.335
Base-Backbone interact. energy: 3.358
local terms energy: -375.764211
where:
bonds (distance) C4'-P energy: -119.883
bonds (distance) P-C4' energy: -104.167
flat angles C4'-P-C4' energy: -104.602
flat angles P-C4'-P energy: -40.873
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2524.251164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.251164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.251164 (E_RNA)
where:
Base-Base interactions energy: -1718.568
where: short stacking energy: -759.985
Base-Backbone interact. energy: -5.786
local terms energy: -799.896633
where:
bonds (distance) C4'-P energy: -147.863
bonds (distance) P-C4' energy: -137.724
flat angles C4'-P-C4' energy: -170.626
flat angles P-C4'-P energy: -120.582
tors. eta vs tors. theta energy: -223.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2444.899279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.899279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.899279 (E_RNA)
where:
Base-Base interactions energy: -1707.931
where: short stacking energy: -728.790
Base-Backbone interact. energy: -3.303
local terms energy: -733.665470
where:
bonds (distance) C4'-P energy: -132.678
bonds (distance) P-C4' energy: -123.738
flat angles C4'-P-C4' energy: -150.888
flat angles P-C4'-P energy: -108.049
tors. eta vs tors. theta energy: -218.312
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: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2310.698844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.698844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.698844 (E_RNA)
where:
Base-Base interactions energy: -1613.726
where: short stacking energy: -629.286
Base-Backbone interact. energy: -7.202
local terms energy: -689.770626
where:
bonds (distance) C4'-P energy: -134.664
bonds (distance) P-C4' energy: -151.174
flat angles C4'-P-C4' energy: -159.193
flat angles P-C4'-P energy: -83.149
tors. eta vs tors. theta energy: -161.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2157.879324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.879324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.879324 (E_RNA)
where:
Base-Base interactions energy: -1447.055
where: short stacking energy: -647.194
Base-Backbone interact. energy: -4.024
local terms energy: -706.800694
where:
bonds (distance) C4'-P energy: -126.380
bonds (distance) P-C4' energy: -132.802
flat angles C4'-P-C4' energy: -155.165
flat angles P-C4'-P energy: -99.321
tors. eta vs tors. theta energy: -193.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2027.202355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.202355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.202355 (E_RNA)
where:
Base-Base interactions energy: -1374.805
where: short stacking energy: -634.007
Base-Backbone interact. energy: -1.803
local terms energy: -650.595150
where:
bonds (distance) C4'-P energy: -96.114
bonds (distance) P-C4' energy: -131.607
flat angles C4'-P-C4' energy: -138.711
flat angles P-C4'-P energy: -88.552
tors. eta vs tors. theta energy: -195.611
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: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1778.047688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.047688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.047688 (E_RNA)
where:
Base-Base interactions energy: -1169.397
where: short stacking energy: -515.166
Base-Backbone interact. energy: -0.041
local terms energy: -608.610090
where:
bonds (distance) C4'-P energy: -130.436
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -143.069
flat angles P-C4'-P energy: -96.746
tors. eta vs tors. theta energy: -116.512
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1566.924224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.924224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.924224 (E_RNA)
where:
Base-Base interactions energy: -1025.021
where: short stacking energy: -459.906
Base-Backbone interact. energy: -0.337
local terms energy: -541.566018
where:
bonds (distance) C4'-P energy: -127.701
bonds (distance) P-C4' energy: -100.156
flat angles C4'-P-C4' energy: -130.789
flat angles P-C4'-P energy: -71.211
tors. eta vs tors. theta energy: -111.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1159.302010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.302010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.302010 (E_RNA)
where:
Base-Base interactions energy: -692.580
where: short stacking energy: -365.408
Base-Backbone interact. energy: -0.695
local terms energy: -466.027704
where:
bonds (distance) C4'-P energy: -116.607
bonds (distance) P-C4' energy: -109.079
flat angles C4'-P-C4' energy: -110.626
flat angles P-C4'-P energy: -65.296
tors. eta vs tors. theta energy: -64.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1109.806734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.806734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.806734 (E_RNA)
where:
Base-Base interactions energy: -666.489
where: short stacking energy: -324.540
Base-Backbone interact. energy: -2.459
local terms energy: -440.858193
where:
bonds (distance) C4'-P energy: -117.858
bonds (distance) P-C4' energy: -109.045
flat angles C4'-P-C4' energy: -96.802
flat angles P-C4'-P energy: -75.642
tors. eta vs tors. theta energy: -41.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -854.947163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.947163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.947163 (E_RNA)
where:
Base-Base interactions energy: -429.595
where: short stacking energy: -240.803
Base-Backbone interact. energy: -0.262
local terms energy: -425.090166
where:
bonds (distance) C4'-P energy: -107.883
bonds (distance) P-C4' energy: -125.078
flat angles C4'-P-C4' energy: -115.637
flat angles P-C4'-P energy: -63.497
tors. eta vs tors. theta energy: -12.995
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: 167
Temperature: 0.900000
Total energy: -2520.754169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.754169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.754169 (E_RNA)
where:
Base-Base interactions energy: -1736.353
where: short stacking energy: -741.119
Base-Backbone interact. energy: -2.499
local terms energy: -781.901803
where:
bonds (distance) C4'-P energy: -132.182
bonds (distance) P-C4' energy: -154.945
flat angles C4'-P-C4' energy: -156.434
flat angles P-C4'-P energy: -110.104
tors. eta vs tors. theta energy: -228.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2463.477213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.477213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.477213 (E_RNA)
where:
Base-Base interactions energy: -1719.953
where: short stacking energy: -733.032
Base-Backbone interact. energy: -2.315
local terms energy: -741.208579
where:
bonds (distance) C4'-P energy: -129.768
bonds (distance) P-C4' energy: -144.175
flat angles C4'-P-C4' energy: -145.330
flat angles P-C4'-P energy: -106.396
tors. eta vs tors. theta energy: -215.540
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2289.909968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.909968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.909968 (E_RNA)
where:
Base-Base interactions energy: -1597.111
where: short stacking energy: -610.142
Base-Backbone interact. energy: -7.150
local terms energy: -685.649387
where:
bonds (distance) C4'-P energy: -137.268
bonds (distance) P-C4' energy: -140.859
flat angles C4'-P-C4' energy: -149.647
flat angles P-C4'-P energy: -97.041
tors. eta vs tors. theta energy: -160.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2158.198318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.198318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.198318 (E_RNA)
where:
Base-Base interactions energy: -1462.120
where: short stacking energy: -643.276
Base-Backbone interact. energy: -4.160
local terms energy: -691.918375
where:
bonds (distance) C4'-P energy: -120.702
bonds (distance) P-C4' energy: -131.930
flat angles C4'-P-C4' energy: -158.645
flat angles P-C4'-P energy: -97.775
tors. eta vs tors. theta energy: -182.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2034.752540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.752540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.752540 (E_RNA)
where:
Base-Base interactions energy: -1385.578
where: short stacking energy: -605.128
Base-Backbone interact. energy: -5.089
local terms energy: -644.085433
where:
bonds (distance) C4'-P energy: -127.590
bonds (distance) P-C4' energy: -117.199
flat angles C4'-P-C4' energy: -127.943
flat angles P-C4'-P energy: -96.171
tors. eta vs tors. theta energy: -175.182
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: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1789.276996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.276996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.276996 (E_RNA)
where:
Base-Base interactions energy: -1176.010
where: short stacking energy: -518.253
Base-Backbone interact. energy: -0.416
local terms energy: -612.851403
where:
bonds (distance) C4'-P energy: -112.940
bonds (distance) P-C4' energy: -137.967
flat angles C4'-P-C4' energy: -135.750
flat angles P-C4'-P energy: -93.392
tors. eta vs tors. theta energy: -132.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1505.882351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.882351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.882351 (E_RNA)
where:
Base-Base interactions energy: -988.821
where: short stacking energy: -457.290
Base-Backbone interact. energy: -5.060
local terms energy: -512.001791
where:
bonds (distance) C4'-P energy: -114.718
bonds (distance) P-C4' energy: -99.941
flat angles C4'-P-C4' energy: -121.978
flat angles P-C4'-P energy: -72.474
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: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1109.095315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.095315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.095315 (E_RNA)
where:
Base-Base interactions energy: -663.521
where: short stacking energy: -329.725
Base-Backbone interact. energy: 1.077
local terms energy: -446.652109
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -122.123
flat angles C4'-P-C4' energy: -105.996
flat angles P-C4'-P energy: -60.573
tors. eta vs tors. theta energy: -34.448
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: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1095.278016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.278016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.278016 (E_RNA)
where:
Base-Base interactions energy: -650.763
where: short stacking energy: -316.515
Base-Backbone interact. energy: 4.991
local terms energy: -449.506006
where:
bonds (distance) C4'-P energy: -114.473
bonds (distance) P-C4' energy: -120.917
flat angles C4'-P-C4' energy: -129.074
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -37.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -897.894327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.894327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.894327 (E_RNA)
where:
Base-Base interactions energy: -500.015
where: short stacking energy: -272.045
Base-Backbone interact. energy: -1.211
local terms energy: -396.668288
where:
bonds (distance) C4'-P energy: -81.443
bonds (distance) P-C4' energy: -125.722
flat angles C4'-P-C4' energy: -105.727
flat angles P-C4'-P energy: -59.596
tors. eta vs tors. theta energy: -24.180
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: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2522.678684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.678684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.678684 (E_RNA)
where:
Base-Base interactions energy: -1743.964
where: short stacking energy: -752.299
Base-Backbone interact. energy: -2.870
local terms energy: -775.843973
where:
bonds (distance) C4'-P energy: -125.548
bonds (distance) P-C4' energy: -151.714
flat angles C4'-P-C4' energy: -167.373
flat angles P-C4'-P energy: -109.433
tors. eta vs tors. theta energy: -221.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2429.288391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.288391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.288391 (E_RNA)
where:
Base-Base interactions energy: -1706.061
where: short stacking energy: -716.968
Base-Backbone interact. energy: -0.691
local terms energy: -722.536465
where:
bonds (distance) C4'-P energy: -123.388
bonds (distance) P-C4' energy: -130.874
flat angles C4'-P-C4' energy: -150.280
flat angles P-C4'-P energy: -98.096
tors. eta vs tors. theta energy: -219.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2263.812597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.812597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.812597 (E_RNA)
where:
Base-Base interactions energy: -1568.804
where: short stacking energy: -622.003
Base-Backbone interact. energy: -3.931
local terms energy: -691.077861
where:
bonds (distance) C4'-P energy: -123.734
bonds (distance) P-C4' energy: -137.202
flat angles C4'-P-C4' energy: -155.240
flat angles P-C4'-P energy: -102.086
tors. eta vs tors. theta energy: -172.816
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: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2106.535977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.535977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.535977 (E_RNA)
where:
Base-Base interactions energy: -1449.453
where: short stacking energy: -606.823
Base-Backbone interact. energy: -4.203
local terms energy: -652.879292
where:
bonds (distance) C4'-P energy: -99.680
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -155.720
flat angles P-C4'-P energy: -90.813
tors. eta vs tors. theta energy: -182.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2009.345075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.345075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.345075 (E_RNA)
where:
Base-Base interactions energy: -1359.877
where: short stacking energy: -596.817
Base-Backbone interact. energy: -1.686
local terms energy: -647.782052
where:
bonds (distance) C4'-P energy: -122.397
bonds (distance) P-C4' energy: -131.803
flat angles C4'-P-C4' energy: -141.946
flat angles P-C4'-P energy: -89.637
tors. eta vs tors. theta energy: -162.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1789.171090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.171090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.171090 (E_RNA)
where:
Base-Base interactions energy: -1207.274
where: short stacking energy: -531.814
Base-Backbone interact. energy: 0.279
local terms energy: -582.175301
where:
bonds (distance) C4'-P energy: -114.647
bonds (distance) P-C4' energy: -126.071
flat angles C4'-P-C4' energy: -130.319
flat angles P-C4'-P energy: -80.126
tors. eta vs tors. theta energy: -131.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1528.485437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.485437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.485437 (E_RNA)
where:
Base-Base interactions energy: -984.274
where: short stacking energy: -457.564
Base-Backbone interact. energy: 2.737
local terms energy: -546.948155
where:
bonds (distance) C4'-P energy: -112.843
bonds (distance) P-C4' energy: -140.166
flat angles C4'-P-C4' energy: -118.313
flat angles P-C4'-P energy: -71.098
tors. eta vs tors. theta energy: -104.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1123.906317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.906317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.906317 (E_RNA)
where:
Base-Base interactions energy: -670.019
where: short stacking energy: -326.073
Base-Backbone interact. energy: -0.272
local terms energy: -453.615616
where:
bonds (distance) C4'-P energy: -111.153
bonds (distance) P-C4' energy: -119.990
flat angles C4'-P-C4' energy: -124.010
flat angles P-C4'-P energy: -54.534
tors. eta vs tors. theta energy: -43.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1091.098971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.098971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.098971 (E_RNA)
where:
Base-Base interactions energy: -662.459
where: short stacking energy: -338.133
Base-Backbone interact. energy: -3.322
local terms energy: -425.318829
where:
bonds (distance) C4'-P energy: -100.470
bonds (distance) P-C4' energy: -112.440
flat angles C4'-P-C4' energy: -109.638
flat angles P-C4'-P energy: -61.344
tors. eta vs tors. theta energy: -41.427
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: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -878.372349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.372349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.372349 (E_RNA)
where:
Base-Base interactions energy: -475.924
where: short stacking energy: -236.051
Base-Backbone interact. energy: -1.906
local terms energy: -400.543037
where:
bonds (distance) C4'-P energy: -117.223
bonds (distance) P-C4' energy: -121.724
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -56.912
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2543.378321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.378321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.378321 (E_RNA)
where:
Base-Base interactions energy: -1747.339
where: short stacking energy: -773.353
Base-Backbone interact. energy: -1.725
local terms energy: -794.314095
where:
bonds (distance) C4'-P energy: -147.604
bonds (distance) P-C4' energy: -136.586
flat angles C4'-P-C4' energy: -161.400
flat angles P-C4'-P energy: -121.483
tors. eta vs tors. theta energy: -227.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2452.519965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.519965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.519965 (E_RNA)
where:
Base-Base interactions energy: -1708.759
where: short stacking energy: -720.434
Base-Backbone interact. energy: -0.740
local terms energy: -743.020875
where:
bonds (distance) C4'-P energy: -124.061
bonds (distance) P-C4' energy: -146.828
flat angles C4'-P-C4' energy: -150.673
flat angles P-C4'-P energy: -101.094
tors. eta vs tors. theta energy: -220.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2294.068707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.068707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.068707 (E_RNA)
where:
Base-Base interactions energy: -1572.755
where: short stacking energy: -621.505
Base-Backbone interact. energy: -2.646
local terms energy: -718.667707
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -152.203
flat angles C4'-P-C4' energy: -158.040
flat angles P-C4'-P energy: -112.706
tors. eta vs tors. theta energy: -166.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2129.284538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.284538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.284538 (E_RNA)
where:
Base-Base interactions energy: -1457.609
where: short stacking energy: -631.542
Base-Backbone interact. energy: -3.438
local terms energy: -668.237540
where:
bonds (distance) C4'-P energy: -114.108
bonds (distance) P-C4' energy: -117.945
flat angles C4'-P-C4' energy: -152.221
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -181.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2012.467883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.467883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.467883 (E_RNA)
where:
Base-Base interactions energy: -1358.195
where: short stacking energy: -615.537
Base-Backbone interact. energy: -1.923
local terms energy: -652.349998
where:
bonds (distance) C4'-P energy: -117.028
bonds (distance) P-C4' energy: -123.042
flat angles C4'-P-C4' energy: -137.071
flat angles P-C4'-P energy: -107.023
tors. eta vs tors. theta energy: -168.186
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: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1826.851511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.851511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.851511 (E_RNA)
where:
Base-Base interactions energy: -1207.355
where: short stacking energy: -546.617
Base-Backbone interact. energy: -0.718
local terms energy: -618.778480
where:
bonds (distance) C4'-P energy: -129.820
bonds (distance) P-C4' energy: -120.662
flat angles C4'-P-C4' energy: -133.575
flat angles P-C4'-P energy: -97.462
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: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1548.952716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.952716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.952716 (E_RNA)
where:
Base-Base interactions energy: -987.964
where: short stacking energy: -445.106
Base-Backbone interact. energy: -3.234
local terms energy: -557.754870
where:
bonds (distance) C4'-P energy: -112.001
bonds (distance) P-C4' energy: -130.966
flat angles C4'-P-C4' energy: -141.529
flat angles P-C4'-P energy: -94.815
tors. eta vs tors. theta energy: -78.444
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: 169
Temperature: 1.250000
Total energy: -1110.970679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.970679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.970679 (E_RNA)
where:
Base-Base interactions energy: -630.472
where: short stacking energy: -295.859
Base-Backbone interact. energy: 2.401
local terms energy: -482.899377
where:
bonds (distance) C4'-P energy: -147.656
bonds (distance) P-C4' energy: -132.820
flat angles C4'-P-C4' energy: -120.138
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -43.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1058.388991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.388991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.388991 (E_RNA)
where:
Base-Base interactions energy: -620.768
where: short stacking energy: -291.896
Base-Backbone interact. energy: -0.364
local terms energy: -437.256581
where:
bonds (distance) C4'-P energy: -111.664
bonds (distance) P-C4' energy: -117.447
flat angles C4'-P-C4' energy: -109.970
flat angles P-C4'-P energy: -67.210
tors. eta vs tors. theta energy: -30.967
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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1003.850095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.850095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.850095 (E_RNA)
where:
Base-Base interactions energy: -563.804
where: short stacking energy: -262.350
Base-Backbone interact. energy: -0.995
local terms energy: -439.050906
where:
bonds (distance) C4'-P energy: -113.147
bonds (distance) P-C4' energy: -117.527
flat angles C4'-P-C4' energy: -117.983
flat angles P-C4'-P energy: -73.683
tors. eta vs tors. theta energy: -16.710
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: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2529.877504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.877504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.877504 (E_RNA)
where:
Base-Base interactions energy: -1760.174
where: short stacking energy: -772.920
Base-Backbone interact. energy: -3.232
local terms energy: -766.471736
where:
bonds (distance) C4'-P energy: -123.125
bonds (distance) P-C4' energy: -136.917
flat angles C4'-P-C4' energy: -164.210
flat angles P-C4'-P energy: -110.246
tors. eta vs tors. theta energy: -231.974
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2475.665789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.665789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.665789 (E_RNA)
where:
Base-Base interactions energy: -1734.796
where: short stacking energy: -723.087
Base-Backbone interact. energy: -3.430
local terms energy: -737.440085
where:
bonds (distance) C4'-P energy: -132.669
bonds (distance) P-C4' energy: -122.832
flat angles C4'-P-C4' energy: -159.331
flat angles P-C4'-P energy: -100.346
tors. eta vs tors. theta energy: -222.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2335.964549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.964549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.964549 (E_RNA)
where:
Base-Base interactions energy: -1604.197
where: short stacking energy: -647.530
Base-Backbone interact. energy: -4.462
local terms energy: -727.305847
where:
bonds (distance) C4'-P energy: -144.642
bonds (distance) P-C4' energy: -136.299
flat angles C4'-P-C4' energy: -156.339
flat angles P-C4'-P energy: -113.683
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: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2106.749877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.749877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.749877 (E_RNA)
where:
Base-Base interactions energy: -1448.477
where: short stacking energy: -625.127
Base-Backbone interact. energy: -3.310
local terms energy: -654.962318
where:
bonds (distance) C4'-P energy: -128.368
bonds (distance) P-C4' energy: -121.547
flat angles C4'-P-C4' energy: -144.619
flat angles P-C4'-P energy: -83.748
tors. eta vs tors. theta energy: -176.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1984.278792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.278792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.278792 (E_RNA)
where:
Base-Base interactions energy: -1348.281
where: short stacking energy: -584.214
Base-Backbone interact. energy: -1.968
local terms energy: -634.029971
where:
bonds (distance) C4'-P energy: -117.853
bonds (distance) P-C4' energy: -136.200
flat angles C4'-P-C4' energy: -131.280
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: -154.628
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: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1812.857713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.857713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.857713 (E_RNA)
where:
Base-Base interactions energy: -1199.278
where: short stacking energy: -515.570
Base-Backbone interact. energy: -1.997
local terms energy: -611.582559
where:
bonds (distance) C4'-P energy: -119.186
bonds (distance) P-C4' energy: -132.602
flat angles C4'-P-C4' energy: -147.442
flat angles P-C4'-P energy: -82.588
tors. eta vs tors. theta energy: -129.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1492.220932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.220932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.220932 (E_RNA)
where:
Base-Base interactions energy: -974.972
where: short stacking energy: -457.065
Base-Backbone interact. energy: -0.721
local terms energy: -516.527698
where:
bonds (distance) C4'-P energy: -119.756
bonds (distance) P-C4' energy: -122.910
flat angles C4'-P-C4' energy: -133.774
flat angles P-C4'-P energy: -54.880
tors. eta vs tors. theta energy: -85.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1199.599263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.599263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.599263 (E_RNA)
where:
Base-Base interactions energy: -730.736
where: short stacking energy: -386.252
Base-Backbone interact. energy: -3.260
local terms energy: -465.603433
where:
bonds (distance) C4'-P energy: -110.946
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -117.325
flat angles P-C4'-P energy: -49.027
tors. eta vs tors. theta energy: -54.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1063.916126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.916126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.916126 (E_RNA)
where:
Base-Base interactions energy: -626.514
where: short stacking energy: -325.581
Base-Backbone interact. energy: 0.824
local terms energy: -438.226881
where:
bonds (distance) C4'-P energy: -94.678
bonds (distance) P-C4' energy: -110.998
flat angles C4'-P-C4' energy: -124.934
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -39.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -990.089143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.089143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.089143 (E_RNA)
where:
Base-Base interactions energy: -599.835
where: short stacking energy: -279.276
Base-Backbone interact. energy: 3.543
local terms energy: -393.797796
where:
bonds (distance) C4'-P energy: -103.520
bonds (distance) P-C4' energy: -106.953
flat angles C4'-P-C4' energy: -107.893
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -27.269
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: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2537.885644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.885644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.885644 (E_RNA)
where:
Base-Base interactions energy: -1743.599
where: short stacking energy: -747.898
Base-Backbone interact. energy: -2.265
local terms energy: -792.021371
where:
bonds (distance) C4'-P energy: -138.358
bonds (distance) P-C4' energy: -150.411
flat angles C4'-P-C4' energy: -169.032
flat angles P-C4'-P energy: -116.118
tors. eta vs tors. theta energy: -218.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2466.643134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.643134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.643134 (E_RNA)
where:
Base-Base interactions energy: -1704.613
where: short stacking energy: -735.488
Base-Backbone interact. energy: -3.142
local terms energy: -758.887636
where:
bonds (distance) C4'-P energy: -143.584
bonds (distance) P-C4' energy: -135.911
flat angles C4'-P-C4' energy: -160.997
flat angles P-C4'-P energy: -105.291
tors. eta vs tors. theta energy: -213.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2322.127797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.127797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.127797 (E_RNA)
where:
Base-Base interactions energy: -1641.033
where: short stacking energy: -651.506
Base-Backbone interact. energy: 0.135
local terms energy: -681.230051
where:
bonds (distance) C4'-P energy: -122.813
bonds (distance) P-C4' energy: -141.147
flat angles C4'-P-C4' energy: -152.020
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -169.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2135.171834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.171834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.171834 (E_RNA)
where:
Base-Base interactions energy: -1464.770
where: short stacking energy: -641.964
Base-Backbone interact. energy: 0.390
local terms energy: -670.791591
where:
bonds (distance) C4'-P energy: -121.327
bonds (distance) P-C4' energy: -134.483
flat angles C4'-P-C4' energy: -151.811
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -175.923
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: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1992.698514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.698514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.698514 (E_RNA)
where:
Base-Base interactions energy: -1341.955
where: short stacking energy: -590.681
Base-Backbone interact. energy: 2.671
local terms energy: -653.413845
where:
bonds (distance) C4'-P energy: -137.845
bonds (distance) P-C4' energy: -130.094
flat angles C4'-P-C4' energy: -137.653
flat angles P-C4'-P energy: -90.984
tors. eta vs tors. theta energy: -156.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1774.354909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.354909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.354909 (E_RNA)
where:
Base-Base interactions energy: -1149.206
where: short stacking energy: -537.567
Base-Backbone interact. energy: -0.969
local terms energy: -624.179599
where:
bonds (distance) C4'-P energy: -119.252
bonds (distance) P-C4' energy: -119.743
flat angles C4'-P-C4' energy: -152.718
flat angles P-C4'-P energy: -87.604
tors. eta vs tors. theta energy: -144.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1489.956617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.956617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.956617 (E_RNA)
where:
Base-Base interactions energy: -939.433
where: short stacking energy: -423.150
Base-Backbone interact. energy: 4.784
local terms energy: -555.307654
where:
bonds (distance) C4'-P energy: -128.904
bonds (distance) P-C4' energy: -127.818
flat angles C4'-P-C4' energy: -137.997
flat angles P-C4'-P energy: -73.021
tors. eta vs tors. theta energy: -87.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1292.689960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.689960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.689960 (E_RNA)
where:
Base-Base interactions energy: -803.329
where: short stacking energy: -372.144
Base-Backbone interact. energy: 2.611
local terms energy: -491.971305
where:
bonds (distance) C4'-P energy: -116.372
bonds (distance) P-C4' energy: -117.177
flat angles C4'-P-C4' energy: -115.145
flat angles P-C4'-P energy: -69.766
tors. eta vs tors. theta energy: -73.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1081.907215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.907215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.907215 (E_RNA)
where:
Base-Base interactions energy: -624.093
where: short stacking energy: -309.514
Base-Backbone interact. energy: 3.112
local terms energy: -460.926151
where:
bonds (distance) C4'-P energy: -91.112
bonds (distance) P-C4' energy: -138.232
flat angles C4'-P-C4' energy: -118.242
flat angles P-C4'-P energy: -64.948
tors. eta vs tors. theta energy: -48.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -957.409364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.409364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.409364 (E_RNA)
where:
Base-Base interactions energy: -587.486
where: short stacking energy: -288.988
Base-Backbone interact. energy: -0.258
local terms energy: -369.665978
where:
bonds (distance) C4'-P energy: -105.068
bonds (distance) P-C4' energy: -105.824
flat angles C4'-P-C4' energy: -112.606
flat angles P-C4'-P energy: -38.836
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2489.532327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.532327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.532327 (E_RNA)
where:
Base-Base interactions energy: -1719.057
where: short stacking energy: -738.967
Base-Backbone interact. energy: -5.376
local terms energy: -765.098570
where:
bonds (distance) C4'-P energy: -138.244
bonds (distance) P-C4' energy: -137.955
flat angles C4'-P-C4' energy: -162.120
flat angles P-C4'-P energy: -111.730
tors. eta vs tors. theta energy: -215.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2469.058489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.058489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.058489 (E_RNA)
where:
Base-Base interactions energy: -1696.473
where: short stacking energy: -738.357
Base-Backbone interact. energy: -3.042
local terms energy: -769.543378
where:
bonds (distance) C4'-P energy: -137.522
bonds (distance) P-C4' energy: -138.473
flat angles C4'-P-C4' energy: -155.732
flat angles P-C4'-P energy: -116.471
tors. eta vs tors. theta energy: -221.344
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: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2313.072668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.072668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.072668 (E_RNA)
where:
Base-Base interactions energy: -1625.423
where: short stacking energy: -620.200
Base-Backbone interact. energy: -7.756
local terms energy: -679.894051
where:
bonds (distance) C4'-P energy: -133.504
bonds (distance) P-C4' energy: -129.600
flat angles C4'-P-C4' energy: -150.087
flat angles P-C4'-P energy: -86.850
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: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2142.814508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.814508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.814508 (E_RNA)
where:
Base-Base interactions energy: -1455.004
where: short stacking energy: -634.213
Base-Backbone interact. energy: -3.131
local terms energy: -684.679747
where:
bonds (distance) C4'-P energy: -121.169
bonds (distance) P-C4' energy: -130.331
flat angles C4'-P-C4' energy: -155.537
flat angles P-C4'-P energy: -109.176
tors. eta vs tors. theta energy: -168.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1905.735010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.735010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.735010 (E_RNA)
where:
Base-Base interactions energy: -1262.722
where: short stacking energy: -582.467
Base-Backbone interact. energy: -0.327
local terms energy: -642.685388
where:
bonds (distance) C4'-P energy: -123.281
bonds (distance) P-C4' energy: -134.149
flat angles C4'-P-C4' energy: -141.444
flat angles P-C4'-P energy: -87.853
tors. eta vs tors. theta energy: -155.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1822.382527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.382527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.382527 (E_RNA)
where:
Base-Base interactions energy: -1238.838
where: short stacking energy: -542.401
Base-Backbone interact. energy: -2.393
local terms energy: -581.151144
where:
bonds (distance) C4'-P energy: -108.883
bonds (distance) P-C4' energy: -137.021
flat angles C4'-P-C4' energy: -117.797
flat angles P-C4'-P energy: -71.014
tors. eta vs tors. theta energy: -146.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1454.174779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.174779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.174779 (E_RNA)
where:
Base-Base interactions energy: -926.295
where: short stacking energy: -426.591
Base-Backbone interact. energy: 0.805
local terms energy: -528.684527
where:
bonds (distance) C4'-P energy: -100.706
bonds (distance) P-C4' energy: -129.480
flat angles C4'-P-C4' energy: -134.714
flat angles P-C4'-P energy: -81.912
tors. eta vs tors. theta energy: -81.871
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: 8, replica: 1
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1235.688279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.688279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.688279 (E_RNA)
where:
Base-Base interactions energy: -759.590
where: short stacking energy: -358.876
Base-Backbone interact. energy: -1.773
local terms energy: -474.325320
where:
bonds (distance) C4'-P energy: -104.925
bonds (distance) P-C4' energy: -118.278
flat angles C4'-P-C4' energy: -110.558
flat angles P-C4'-P energy: -80.343
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1108.509121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.509121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.509121 (E_RNA)
where:
Base-Base interactions energy: -644.377
where: short stacking energy: -329.019
Base-Backbone interact. energy: -1.834
local terms energy: -462.297871
where:
bonds (distance) C4'-P energy: -105.774
bonds (distance) P-C4' energy: -121.365
flat angles C4'-P-C4' energy: -118.241
flat angles P-C4'-P energy: -71.711
tors. eta vs tors. theta energy: -45.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -979.955453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.955453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.955453 (E_RNA)
where:
Base-Base interactions energy: -577.994
where: short stacking energy: -272.042
Base-Backbone interact. energy: 5.654
local terms energy: -407.615442
where:
bonds (distance) C4'-P energy: -110.443
bonds (distance) P-C4' energy: -117.892
flat angles C4'-P-C4' energy: -90.937
flat angles P-C4'-P energy: -67.196
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2500.266721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.266721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.266721 (E_RNA)
where:
Base-Base interactions energy: -1717.736
where: short stacking energy: -731.464
Base-Backbone interact. energy: 0.512
local terms energy: -783.042132
where:
bonds (distance) C4'-P energy: -146.173
bonds (distance) P-C4' energy: -144.077
flat angles C4'-P-C4' energy: -160.634
flat angles P-C4'-P energy: -117.669
tors. eta vs tors. theta energy: -214.489
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2456.650903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.650903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.650903 (E_RNA)
where:
Base-Base interactions energy: -1698.947
where: short stacking energy: -721.460
Base-Backbone interact. energy: -1.987
local terms energy: -755.717435
where:
bonds (distance) C4'-P energy: -127.898
bonds (distance) P-C4' energy: -147.008
flat angles C4'-P-C4' energy: -156.391
flat angles P-C4'-P energy: -105.292
tors. eta vs tors. theta energy: -219.129
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2301.378511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.378511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.378511 (E_RNA)
where:
Base-Base interactions energy: -1616.142
where: short stacking energy: -632.983
Base-Backbone interact. energy: 1.346
local terms energy: -686.582244
where:
bonds (distance) C4'-P energy: -132.697
bonds (distance) P-C4' energy: -133.430
flat angles C4'-P-C4' energy: -155.459
flat angles P-C4'-P energy: -98.896
tors. eta vs tors. theta energy: -166.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2147.550520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.550520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.550520 (E_RNA)
where:
Base-Base interactions energy: -1431.837
where: short stacking energy: -679.286
Base-Backbone interact. energy: -3.196
local terms energy: -712.517374
where:
bonds (distance) C4'-P energy: -125.917
bonds (distance) P-C4' energy: -141.516
flat angles C4'-P-C4' energy: -145.958
flat angles P-C4'-P energy: -111.703
tors. eta vs tors. theta energy: -187.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1857.082568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.082568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.082568 (E_RNA)
where:
Base-Base interactions energy: -1242.379
where: short stacking energy: -554.130
Base-Backbone interact. energy: -2.335
local terms energy: -612.368921
where:
bonds (distance) C4'-P energy: -100.467
bonds (distance) P-C4' energy: -131.348
flat angles C4'-P-C4' energy: -146.406
flat angles P-C4'-P energy: -77.310
tors. eta vs tors. theta energy: -156.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1852.339059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.339059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.339059 (E_RNA)
where:
Base-Base interactions energy: -1235.087
where: short stacking energy: -566.460
Base-Backbone interact. energy: -1.997
local terms energy: -615.255878
where:
bonds (distance) C4'-P energy: -122.215
bonds (distance) P-C4' energy: -118.411
flat angles C4'-P-C4' energy: -143.808
flat angles P-C4'-P energy: -80.376
tors. eta vs tors. theta energy: -150.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1505.288917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.288917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.288917 (E_RNA)
where:
Base-Base interactions energy: -986.080
where: short stacking energy: -486.910
Base-Backbone interact. energy: -1.056
local terms energy: -518.152578
where:
bonds (distance) C4'-P energy: -111.691
bonds (distance) P-C4' energy: -118.888
flat angles C4'-P-C4' energy: -112.309
flat angles P-C4'-P energy: -70.577
tors. eta vs tors. theta energy: -104.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1250.350363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.350363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.350363 (E_RNA)
where:
Base-Base interactions energy: -742.612
where: short stacking energy: -367.865
Base-Backbone interact. energy: -1.505
local terms energy: -506.233607
where:
bonds (distance) C4'-P energy: -139.199
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -85.897
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -68.042
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: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1122.440351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.440351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.440351 (E_RNA)
where:
Base-Base interactions energy: -679.130
where: short stacking energy: -339.877
Base-Backbone interact. energy: 3.036
local terms energy: -446.346528
where:
bonds (distance) C4'-P energy: -108.199
bonds (distance) P-C4' energy: -103.284
flat angles C4'-P-C4' energy: -123.922
flat angles P-C4'-P energy: -58.364
tors. eta vs tors. theta energy: -52.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1031.301980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.301980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.301980 (E_RNA)
where:
Base-Base interactions energy: -615.119
where: short stacking energy: -306.371
Base-Backbone interact. energy: 0.397
local terms energy: -416.580170
where:
bonds (distance) C4'-P energy: -112.702
bonds (distance) P-C4' energy: -119.371
flat angles C4'-P-C4' energy: -99.201
flat angles P-C4'-P energy: -51.715
tors. eta vs tors. theta energy: -33.591
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: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2502.136054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.136054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.136054 (E_RNA)
where:
Base-Base interactions energy: -1739.631
where: short stacking energy: -744.670
Base-Backbone interact. energy: -3.833
local terms energy: -758.671253
where:
bonds (distance) C4'-P energy: -142.455
bonds (distance) P-C4' energy: -132.687
flat angles C4'-P-C4' energy: -166.531
flat angles P-C4'-P energy: -99.862
tors. eta vs tors. theta energy: -217.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2441.085096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.085096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.085096 (E_RNA)
where:
Base-Base interactions energy: -1688.504
where: short stacking energy: -716.368
Base-Backbone interact. energy: -4.463
local terms energy: -748.117848
where:
bonds (distance) C4'-P energy: -138.871
bonds (distance) P-C4' energy: -134.899
flat angles C4'-P-C4' energy: -160.356
flat angles P-C4'-P energy: -100.204
tors. eta vs tors. theta energy: -213.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2327.347290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.347290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.347290 (E_RNA)
where:
Base-Base interactions energy: -1606.343
where: short stacking energy: -635.787
Base-Backbone interact. energy: -5.202
local terms energy: -715.802731
where:
bonds (distance) C4'-P energy: -126.644
bonds (distance) P-C4' energy: -148.146
flat angles C4'-P-C4' energy: -160.891
flat angles P-C4'-P energy: -99.828
tors. eta vs tors. theta energy: -180.293
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2160.035812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.035812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.035812 (E_RNA)
where:
Base-Base interactions energy: -1487.082
where: short stacking energy: -653.166
Base-Backbone interact. energy: -0.949
local terms energy: -672.004898
where:
bonds (distance) C4'-P energy: -133.376
bonds (distance) P-C4' energy: -113.050
flat angles C4'-P-C4' energy: -158.994
flat angles P-C4'-P energy: -85.825
tors. eta vs tors. theta energy: -180.759
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: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1926.986305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.986305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.986305 (E_RNA)
where:
Base-Base interactions energy: -1293.251
where: short stacking energy: -592.809
Base-Backbone interact. energy: -2.183
local terms energy: -631.551762
where:
bonds (distance) C4'-P energy: -120.617
bonds (distance) P-C4' energy: -118.592
flat angles C4'-P-C4' energy: -145.805
flat angles P-C4'-P energy: -90.004
tors. eta vs tors. theta energy: -156.534
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1889.302351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.302351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.302351 (E_RNA)
where:
Base-Base interactions energy: -1270.365
where: short stacking energy: -580.743
Base-Backbone interact. energy: 2.641
local terms energy: -621.577423
where:
bonds (distance) C4'-P energy: -116.472
bonds (distance) P-C4' energy: -115.682
flat angles C4'-P-C4' energy: -126.718
flat angles P-C4'-P energy: -98.524
tors. eta vs tors. theta energy: -164.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1478.774601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.774601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.774601 (E_RNA)
where:
Base-Base interactions energy: -965.694
where: short stacking energy: -455.927
Base-Backbone interact. energy: 1.449
local terms energy: -514.529333
where:
bonds (distance) C4'-P energy: -119.248
bonds (distance) P-C4' energy: -110.816
flat angles C4'-P-C4' energy: -114.078
flat angles P-C4'-P energy: -71.516
tors. eta vs tors. theta energy: -98.871
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: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1189.963516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.963516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.963516 (E_RNA)
where:
Base-Base interactions energy: -700.853
where: short stacking energy: -337.519
Base-Backbone interact. energy: -0.985
local terms energy: -488.125829
where:
bonds (distance) C4'-P energy: -127.239
bonds (distance) P-C4' energy: -118.747
flat angles C4'-P-C4' energy: -119.073
flat angles P-C4'-P energy: -72.302
tors. eta vs tors. theta energy: -50.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1071.714933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.714933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.714933 (E_RNA)
where:
Base-Base interactions energy: -657.138
where: short stacking energy: -326.180
Base-Backbone interact. energy: 1.361
local terms energy: -415.938128
where:
bonds (distance) C4'-P energy: -123.568
bonds (distance) P-C4' energy: -88.669
flat angles C4'-P-C4' energy: -96.490
flat angles P-C4'-P energy: -67.410
tors. eta vs tors. theta energy: -39.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1016.215338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.215338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.215338 (E_RNA)
where:
Base-Base interactions energy: -601.127
where: short stacking energy: -271.002
Base-Backbone interact. energy: -1.447
local terms energy: -413.641864
where:
bonds (distance) C4'-P energy: -103.924
bonds (distance) P-C4' energy: -130.616
flat angles C4'-P-C4' energy: -92.986
flat angles P-C4'-P energy: -62.634
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: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2528.896952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.896952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.896952 (E_RNA)
where:
Base-Base interactions energy: -1745.378
where: short stacking energy: -769.202
Base-Backbone interact. energy: -1.973
local terms energy: -781.546391
where:
bonds (distance) C4'-P energy: -150.583
bonds (distance) P-C4' energy: -140.994
flat angles C4'-P-C4' energy: -156.785
flat angles P-C4'-P energy: -109.727
tors. eta vs tors. theta energy: -223.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2457.294435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.294435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.294435 (E_RNA)
where:
Base-Base interactions energy: -1677.694
where: short stacking energy: -743.300
Base-Backbone interact. energy: -2.077
local terms energy: -777.523217
where:
bonds (distance) C4'-P energy: -136.091
bonds (distance) P-C4' energy: -135.305
flat angles C4'-P-C4' energy: -157.150
flat angles P-C4'-P energy: -125.118
tors. eta vs tors. theta energy: -223.860
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: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2332.147456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.147456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.147456 (E_RNA)
where:
Base-Base interactions energy: -1634.773
where: short stacking energy: -638.381
Base-Backbone interact. energy: -3.009
local terms energy: -694.365375
where:
bonds (distance) C4'-P energy: -143.871
bonds (distance) P-C4' energy: -129.697
flat angles C4'-P-C4' energy: -144.644
flat angles P-C4'-P energy: -97.170
tors. eta vs tors. theta energy: -178.984
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: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2155.056700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.056700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.056700 (E_RNA)
where:
Base-Base interactions energy: -1467.413
where: short stacking energy: -650.282
Base-Backbone interact. energy: -7.667
local terms energy: -679.976703
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -125.113
flat angles C4'-P-C4' energy: -143.226
flat angles P-C4'-P energy: -90.307
tors. eta vs tors. theta energy: -200.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1954.579518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.579518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.579518 (E_RNA)
where:
Base-Base interactions energy: -1300.425
where: short stacking energy: -601.836
Base-Backbone interact. energy: -3.723
local terms energy: -650.432234
where:
bonds (distance) C4'-P energy: -117.960
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -147.692
flat angles P-C4'-P energy: -94.087
tors. eta vs tors. theta energy: -175.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1982.449001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.449001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.449001 (E_RNA)
where:
Base-Base interactions energy: -1334.577
where: short stacking energy: -600.253
Base-Backbone interact. energy: -2.789
local terms energy: -645.082966
where:
bonds (distance) C4'-P energy: -128.103
bonds (distance) P-C4' energy: -114.263
flat angles C4'-P-C4' energy: -139.977
flat angles P-C4'-P energy: -97.766
tors. eta vs tors. theta energy: -164.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1498.917188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.917188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.917188 (E_RNA)
where:
Base-Base interactions energy: -975.348
where: short stacking energy: -442.219
Base-Backbone interact. energy: -2.264
local terms energy: -521.305130
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -133.624
flat angles C4'-P-C4' energy: -127.905
flat angles P-C4'-P energy: -72.015
tors. eta vs tors. theta energy: -91.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1217.360393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.360393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.360393 (E_RNA)
where:
Base-Base interactions energy: -717.119
where: short stacking energy: -355.573
Base-Backbone interact. energy: -1.117
local terms energy: -499.124418
where:
bonds (distance) C4'-P energy: -111.934
bonds (distance) P-C4' energy: -134.395
flat angles C4'-P-C4' energy: -126.591
flat angles P-C4'-P energy: -74.413
tors. eta vs tors. theta energy: -51.790
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: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1111.127275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.127275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.127275 (E_RNA)
where:
Base-Base interactions energy: -647.818
where: short stacking energy: -323.037
Base-Backbone interact. energy: 2.274
local terms energy: -465.583201
where:
bonds (distance) C4'-P energy: -123.505
bonds (distance) P-C4' energy: -109.527
flat angles C4'-P-C4' energy: -130.136
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -43.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1001.701120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.701120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.701120 (E_RNA)
where:
Base-Base interactions energy: -577.390
where: short stacking energy: -292.445
Base-Backbone interact. energy: 7.943
local terms energy: -432.254762
where:
bonds (distance) C4'-P energy: -100.847
bonds (distance) P-C4' energy: -123.921
flat angles C4'-P-C4' energy: -103.079
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: -28.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2530.030518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.030518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.030518 (E_RNA)
where:
Base-Base interactions energy: -1722.085
where: short stacking energy: -738.118
Base-Backbone interact. energy: -2.992
local terms energy: -804.953394
where:
bonds (distance) C4'-P energy: -153.437
bonds (distance) P-C4' energy: -147.981
flat angles C4'-P-C4' energy: -169.716
flat angles P-C4'-P energy: -117.808
tors. eta vs tors. theta energy: -216.012
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: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2472.178634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.178634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.178634 (E_RNA)
where:
Base-Base interactions energy: -1714.032
where: short stacking energy: -733.052
Base-Backbone interact. energy: -3.946
local terms energy: -754.200242
where:
bonds (distance) C4'-P energy: -134.891
bonds (distance) P-C4' energy: -140.507
flat angles C4'-P-C4' energy: -150.578
flat angles P-C4'-P energy: -107.636
tors. eta vs tors. theta energy: -220.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2314.025126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.025126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.025126 (E_RNA)
where:
Base-Base interactions energy: -1636.993
where: short stacking energy: -671.377
Base-Backbone interact. energy: -4.016
local terms energy: -673.016078
where:
bonds (distance) C4'-P energy: -132.898
bonds (distance) P-C4' energy: -130.134
flat angles C4'-P-C4' energy: -141.839
flat angles P-C4'-P energy: -92.744
tors. eta vs tors. theta energy: -175.401
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: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2184.430050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.430050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.430050 (E_RNA)
where:
Base-Base interactions energy: -1491.456
where: short stacking energy: -666.856
Base-Backbone interact. energy: -1.710
local terms energy: -691.263857
where:
bonds (distance) C4'-P energy: -109.809
bonds (distance) P-C4' energy: -129.205
flat angles C4'-P-C4' energy: -158.401
flat angles P-C4'-P energy: -105.708
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: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1961.537305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.537305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.537305 (E_RNA)
where:
Base-Base interactions energy: -1328.652
where: short stacking energy: -604.716
Base-Backbone interact. energy: -2.583
local terms energy: -630.303202
where:
bonds (distance) C4'-P energy: -120.597
bonds (distance) P-C4' energy: -127.519
flat angles C4'-P-C4' energy: -146.571
flat angles P-C4'-P energy: -66.244
tors. eta vs tors. theta energy: -169.372
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: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1860.622381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.622381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.622381 (E_RNA)
where:
Base-Base interactions energy: -1263.579
where: short stacking energy: -574.736
Base-Backbone interact. energy: 2.602
local terms energy: -599.645460
where:
bonds (distance) C4'-P energy: -112.313
bonds (distance) P-C4' energy: -127.595
flat angles C4'-P-C4' energy: -136.004
flat angles P-C4'-P energy: -76.087
tors. eta vs tors. theta energy: -147.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1492.395009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.395009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.395009 (E_RNA)
where:
Base-Base interactions energy: -944.353
where: short stacking energy: -459.393
Base-Backbone interact. energy: -2.825
local terms energy: -545.216172
where:
bonds (distance) C4'-P energy: -117.844
bonds (distance) P-C4' energy: -114.375
flat angles C4'-P-C4' energy: -131.868
flat angles P-C4'-P energy: -77.876
tors. eta vs tors. theta energy: -103.254
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: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1289.143563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.143563 (E_RNA)
where:
Base-Base interactions energy: -785.769
where: short stacking energy: -381.807
Base-Backbone interact. energy: -3.402
local terms energy: -499.971953
where:
bonds (distance) C4'-P energy: -108.428
bonds (distance) P-C4' energy: -105.169
flat angles C4'-P-C4' energy: -122.810
flat angles P-C4'-P energy: -84.963
tors. eta vs tors. theta energy: -78.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1122.426729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.426729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.426729 (E_RNA)
where:
Base-Base interactions energy: -681.350
where: short stacking energy: -311.522
Base-Backbone interact. energy: -1.122
local terms energy: -439.954806
where:
bonds (distance) C4'-P energy: -104.816
bonds (distance) P-C4' energy: -98.824
flat angles C4'-P-C4' energy: -119.296
flat angles P-C4'-P energy: -70.135
tors. eta vs tors. theta energy: -46.884
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: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -990.277861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.277861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.277861 (E_RNA)
where:
Base-Base interactions energy: -581.160
where: short stacking energy: -304.220
Base-Backbone interact. energy: 0.628
local terms energy: -409.746571
where:
bonds (distance) C4'-P energy: -100.919
bonds (distance) P-C4' energy: -131.646
flat angles C4'-P-C4' energy: -89.950
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -37.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2550.061294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.061294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.061294 (E_RNA)
where:
Base-Base interactions energy: -1750.809
where: short stacking energy: -755.612
Base-Backbone interact. energy: -0.606
local terms energy: -798.646431
where:
bonds (distance) C4'-P energy: -143.798
bonds (distance) P-C4' energy: -144.062
flat angles C4'-P-C4' energy: -170.000
flat angles P-C4'-P energy: -114.453
tors. eta vs tors. theta energy: -226.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2475.107961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.107961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.107961 (E_RNA)
where:
Base-Base interactions energy: -1709.448
where: short stacking energy: -746.774
Base-Backbone interact. energy: -0.826
local terms energy: -764.834636
where:
bonds (distance) C4'-P energy: -124.379
bonds (distance) P-C4' energy: -143.559
flat angles C4'-P-C4' energy: -164.319
flat angles P-C4'-P energy: -114.018
tors. eta vs tors. theta energy: -218.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2321.402709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.402709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.402709 (E_RNA)
where:
Base-Base interactions energy: -1634.769
where: short stacking energy: -649.231
Base-Backbone interact. energy: -0.826
local terms energy: -685.808005
where:
bonds (distance) C4'-P energy: -130.532
bonds (distance) P-C4' energy: -131.822
flat angles C4'-P-C4' energy: -146.788
flat angles P-C4'-P energy: -105.881
tors. eta vs tors. theta energy: -170.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2144.502054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.502054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.502054 (E_RNA)
where:
Base-Base interactions energy: -1464.035
where: short stacking energy: -646.847
Base-Backbone interact. energy: -1.381
local terms energy: -679.086476
where:
bonds (distance) C4'-P energy: -133.190
bonds (distance) P-C4' energy: -126.322
flat angles C4'-P-C4' energy: -134.001
flat angles P-C4'-P energy: -95.005
tors. eta vs tors. theta energy: -190.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2004.278145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.278145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.278145 (E_RNA)
where:
Base-Base interactions energy: -1351.548
where: short stacking energy: -612.764
Base-Backbone interact. energy: -2.596
local terms energy: -650.133831
where:
bonds (distance) C4'-P energy: -126.805
bonds (distance) P-C4' energy: -126.006
flat angles C4'-P-C4' energy: -133.766
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -172.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1840.705680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.705680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.705680 (E_RNA)
where:
Base-Base interactions energy: -1226.989
where: short stacking energy: -553.137
Base-Backbone interact. energy: 0.385
local terms energy: -614.101467
where:
bonds (distance) C4'-P energy: -123.522
bonds (distance) P-C4' energy: -120.983
flat angles C4'-P-C4' energy: -125.859
flat angles P-C4'-P energy: -107.230
tors. eta vs tors. theta energy: -136.508
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: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1519.678875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.678875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.678875 (E_RNA)
where:
Base-Base interactions energy: -985.572
where: short stacking energy: -449.704
Base-Backbone interact. energy: -6.877
local terms energy: -527.229891
where:
bonds (distance) C4'-P energy: -111.889
bonds (distance) P-C4' energy: -120.590
flat angles C4'-P-C4' energy: -134.322
flat angles P-C4'-P energy: -72.443
tors. eta vs tors. theta energy: -87.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1191.896742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.896742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.896742 (E_RNA)
where:
Base-Base interactions energy: -714.003
where: short stacking energy: -341.731
Base-Backbone interact. energy: 2.892
local terms energy: -480.786297
where:
bonds (distance) C4'-P energy: -122.281
bonds (distance) P-C4' energy: -96.456
flat angles C4'-P-C4' energy: -118.591
flat angles P-C4'-P energy: -75.465
tors. eta vs tors. theta energy: -67.993
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: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1153.250667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.250667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.250667 (E_RNA)
where:
Base-Base interactions energy: -651.484
where: short stacking energy: -300.339
Base-Backbone interact. energy: 0.646
local terms energy: -502.412683
where:
bonds (distance) C4'-P energy: -122.393
bonds (distance) P-C4' energy: -126.795
flat angles C4'-P-C4' energy: -133.798
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -52.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -985.512526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.512526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.512526 (E_RNA)
where:
Base-Base interactions energy: -561.196
where: short stacking energy: -290.454
Base-Backbone interact. energy: 7.861
local terms energy: -432.177649
where:
bonds (distance) C4'-P energy: -100.580
bonds (distance) P-C4' energy: -115.061
flat angles C4'-P-C4' energy: -104.521
flat angles P-C4'-P energy: -77.772
tors. eta vs tors. theta energy: -34.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2528.393357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.393357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.393357 (E_RNA)
where:
Base-Base interactions energy: -1752.453
where: short stacking energy: -748.490
Base-Backbone interact. energy: -4.680
local terms energy: -771.259619
where:
bonds (distance) C4'-P energy: -136.500
bonds (distance) P-C4' energy: -149.144
flat angles C4'-P-C4' energy: -163.759
flat angles P-C4'-P energy: -96.940
tors. eta vs tors. theta energy: -224.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2469.029368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.029368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.029368 (E_RNA)
where:
Base-Base interactions energy: -1722.618
where: short stacking energy: -740.854
Base-Backbone interact. energy: -3.823
local terms energy: -742.587996
where:
bonds (distance) C4'-P energy: -128.029
bonds (distance) P-C4' energy: -131.953
flat angles C4'-P-C4' energy: -166.594
flat angles P-C4'-P energy: -111.198
tors. eta vs tors. theta energy: -204.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2370.949307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.949307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.949307 (E_RNA)
where:
Base-Base interactions energy: -1684.209
where: short stacking energy: -686.319
Base-Backbone interact. energy: 5.886
local terms energy: -692.625656
where:
bonds (distance) C4'-P energy: -142.387
bonds (distance) P-C4' energy: -128.388
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -85.476
tors. eta vs tors. theta energy: -186.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2136.468573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.468573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.468573 (E_RNA)
where:
Base-Base interactions energy: -1438.349
where: short stacking energy: -643.403
Base-Backbone interact. energy: -5.601
local terms energy: -692.517834
where:
bonds (distance) C4'-P energy: -130.188
bonds (distance) P-C4' energy: -133.292
flat angles C4'-P-C4' energy: -136.489
flat angles P-C4'-P energy: -103.282
tors. eta vs tors. theta energy: -189.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1942.709329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.709329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.709329 (E_RNA)
where:
Base-Base interactions energy: -1304.817
where: short stacking energy: -588.188
Base-Backbone interact. energy: -2.408
local terms energy: -635.484066
where:
bonds (distance) C4'-P energy: -120.009
bonds (distance) P-C4' energy: -122.263
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -96.206
tors. eta vs tors. theta energy: -167.951
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: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1830.715185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.715185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.715185 (E_RNA)
where:
Base-Base interactions energy: -1238.406
where: short stacking energy: -546.758
Base-Backbone interact. energy: -0.641
local terms energy: -591.668152
where:
bonds (distance) C4'-P energy: -120.307
bonds (distance) P-C4' energy: -118.067
flat angles C4'-P-C4' energy: -120.485
flat angles P-C4'-P energy: -87.178
tors. eta vs tors. theta energy: -145.631
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: 178
Temperature: 1.200000
Total energy: -1535.330867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.330867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.330867 (E_RNA)
where:
Base-Base interactions energy: -986.331
where: short stacking energy: -434.644
Base-Backbone interact. energy: -2.620
local terms energy: -546.380148
where:
bonds (distance) C4'-P energy: -129.848
bonds (distance) P-C4' energy: -120.492
flat angles C4'-P-C4' energy: -132.227
flat angles P-C4'-P energy: -75.816
tors. eta vs tors. theta energy: -87.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1148.863521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.863521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.863521 (E_RNA)
where:
Base-Base interactions energy: -641.303
where: short stacking energy: -336.853
Base-Backbone interact. energy: -0.523
local terms energy: -507.037658
where:
bonds (distance) C4'-P energy: -115.525
bonds (distance) P-C4' energy: -118.453
flat angles C4'-P-C4' energy: -118.011
flat angles P-C4'-P energy: -91.335
tors. eta vs tors. theta energy: -63.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1158.214360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.214360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.214360 (E_RNA)
where:
Base-Base interactions energy: -697.729
where: short stacking energy: -325.363
Base-Backbone interact. energy: 3.314
local terms energy: -463.799497
where:
bonds (distance) C4'-P energy: -130.188
bonds (distance) P-C4' energy: -119.220
flat angles C4'-P-C4' energy: -115.367
flat angles P-C4'-P energy: -59.540
tors. eta vs tors. theta energy: -39.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -927.386855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.386855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.386855 (E_RNA)
where:
Base-Base interactions energy: -469.700
where: short stacking energy: -265.247
Base-Backbone interact. energy: -1.476
local terms energy: -456.210882
where:
bonds (distance) C4'-P energy: -127.503
bonds (distance) P-C4' energy: -116.512
flat angles C4'-P-C4' energy: -115.672
flat angles P-C4'-P energy: -62.229
tors. eta vs tors. theta energy: -34.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2532.816749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.816749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.816749 (E_RNA)
where:
Base-Base interactions energy: -1747.925
where: short stacking energy: -756.556
Base-Backbone interact. energy: -2.689
local terms energy: -782.203064
where:
bonds (distance) C4'-P energy: -154.469
bonds (distance) P-C4' energy: -137.870
flat angles C4'-P-C4' energy: -154.456
flat angles P-C4'-P energy: -101.438
tors. eta vs tors. theta energy: -233.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2435.200890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.200890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.200890 (E_RNA)
where:
Base-Base interactions energy: -1658.283
where: short stacking energy: -720.627
Base-Backbone interact. energy: 4.402
local terms energy: -781.320138
where:
bonds (distance) C4'-P energy: -131.809
bonds (distance) P-C4' energy: -151.306
flat angles C4'-P-C4' energy: -160.233
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -217.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2326.519349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.519349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.519349 (E_RNA)
where:
Base-Base interactions energy: -1626.846
where: short stacking energy: -654.088
Base-Backbone interact. energy: -1.504
local terms energy: -698.169209
where:
bonds (distance) C4'-P energy: -121.615
bonds (distance) P-C4' energy: -138.260
flat angles C4'-P-C4' energy: -156.322
flat angles P-C4'-P energy: -99.129
tors. eta vs tors. theta energy: -182.843
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: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2148.807195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.807195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.807195 (E_RNA)
where:
Base-Base interactions energy: -1446.879
where: short stacking energy: -652.440
Base-Backbone interact. energy: -3.664
local terms energy: -698.264215
where:
bonds (distance) C4'-P energy: -143.027
bonds (distance) P-C4' energy: -132.563
flat angles C4'-P-C4' energy: -160.427
flat angles P-C4'-P energy: -88.336
tors. eta vs tors. theta energy: -173.912
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: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1893.010598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.010598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.010598 (E_RNA)
where:
Base-Base interactions energy: -1262.994
where: short stacking energy: -579.744
Base-Backbone interact. energy: 0.181
local terms energy: -630.196847
where:
bonds (distance) C4'-P energy: -124.789
bonds (distance) P-C4' energy: -126.786
flat angles C4'-P-C4' energy: -138.562
flat angles P-C4'-P energy: -86.249
tors. eta vs tors. theta energy: -153.810
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: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1795.686599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.686599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.686599 (E_RNA)
where:
Base-Base interactions energy: -1187.750
where: short stacking energy: -511.254
Base-Backbone interact. energy: -0.335
local terms energy: -607.601987
where:
bonds (distance) C4'-P energy: -102.063
bonds (distance) P-C4' energy: -122.780
flat angles C4'-P-C4' energy: -137.589
flat angles P-C4'-P energy: -95.711
tors. eta vs tors. theta energy: -149.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1548.213765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.213765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.213765 (E_RNA)
where:
Base-Base interactions energy: -1012.686
where: short stacking energy: -492.701
Base-Backbone interact. energy: -1.364
local terms energy: -534.164324
where:
bonds (distance) C4'-P energy: -111.545
bonds (distance) P-C4' energy: -96.965
flat angles C4'-P-C4' energy: -122.943
flat angles P-C4'-P energy: -90.882
tors. eta vs tors. theta energy: -111.829
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: 179
Temperature: 1.250000
Total energy: -1156.407187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.407187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.407187 (E_RNA)
where:
Base-Base interactions energy: -672.224
where: short stacking energy: -352.867
Base-Backbone interact. energy: -1.844
local terms energy: -482.339321
where:
bonds (distance) C4'-P energy: -120.020
bonds (distance) P-C4' energy: -119.059
flat angles C4'-P-C4' energy: -120.481
flat angles P-C4'-P energy: -77.006
tors. eta vs tors. theta energy: -45.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1102.958049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.958049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.958049 (E_RNA)
where:
Base-Base interactions energy: -662.884
where: short stacking energy: -329.114
Base-Backbone interact. energy: -1.466
local terms energy: -438.608832
where:
bonds (distance) C4'-P energy: -105.146
bonds (distance) P-C4' energy: -118.644
flat angles C4'-P-C4' energy: -127.688
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -39.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -907.555227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.555227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.555227 (E_RNA)
where:
Base-Base interactions energy: -511.184
where: short stacking energy: -284.816
Base-Backbone interact. energy: 4.715
local terms energy: -401.086744
where:
bonds (distance) C4'-P energy: -119.075
bonds (distance) P-C4' energy: -117.173
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -38.548
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2499.555528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.555528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.555528 (E_RNA)
where:
Base-Base interactions energy: -1723.269
where: short stacking energy: -743.886
Base-Backbone interact. energy: -4.052
local terms energy: -772.235010
where:
bonds (distance) C4'-P energy: -148.160
bonds (distance) P-C4' energy: -136.464
flat angles C4'-P-C4' energy: -166.464
flat angles P-C4'-P energy: -97.169
tors. eta vs tors. theta energy: -223.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2491.558624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.558624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.558624 (E_RNA)
where:
Base-Base interactions energy: -1725.595
where: short stacking energy: -730.689
Base-Backbone interact. energy: -2.956
local terms energy: -763.006980
where:
bonds (distance) C4'-P energy: -144.098
bonds (distance) P-C4' energy: -138.646
flat angles C4'-P-C4' energy: -155.089
flat angles P-C4'-P energy: -100.912
tors. eta vs tors. theta energy: -224.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2316.184634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.184634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.184634 (E_RNA)
where:
Base-Base interactions energy: -1593.770
where: short stacking energy: -628.161
Base-Backbone interact. energy: -1.748
local terms energy: -720.666422
where:
bonds (distance) C4'-P energy: -146.506
bonds (distance) P-C4' energy: -139.306
flat angles C4'-P-C4' energy: -144.920
flat angles P-C4'-P energy: -106.498
tors. eta vs tors. theta energy: -183.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2115.787734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.787734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.787734 (E_RNA)
where:
Base-Base interactions energy: -1455.178
where: short stacking energy: -633.326
Base-Backbone interact. energy: -1.098
local terms energy: -659.512156
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -120.158
flat angles C4'-P-C4' energy: -150.274
flat angles P-C4'-P energy: -93.238
tors. eta vs tors. theta energy: -179.843
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: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1930.746095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.746095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.746095 (E_RNA)
where:
Base-Base interactions energy: -1262.602
where: short stacking energy: -572.584
Base-Backbone interact. energy: -3.669
local terms energy: -664.475153
where:
bonds (distance) C4'-P energy: -120.917
bonds (distance) P-C4' energy: -134.106
flat angles C4'-P-C4' energy: -142.536
flat angles P-C4'-P energy: -95.169
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: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1777.390823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.390823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.390823 (E_RNA)
where:
Base-Base interactions energy: -1200.189
where: short stacking energy: -552.709
Base-Backbone interact. energy: 4.486
local terms energy: -581.688559
where:
bonds (distance) C4'-P energy: -102.438
bonds (distance) P-C4' energy: -109.561
flat angles C4'-P-C4' energy: -133.137
flat angles P-C4'-P energy: -95.144
tors. eta vs tors. theta energy: -141.408
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: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1447.091484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.091484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.091484 (E_RNA)
where:
Base-Base interactions energy: -924.926
where: short stacking energy: -415.932
Base-Backbone interact. energy: 0.500
local terms energy: -522.665318
where:
bonds (distance) C4'-P energy: -118.759
bonds (distance) P-C4' energy: -128.903
flat angles C4'-P-C4' energy: -105.571
flat angles P-C4'-P energy: -81.868
tors. eta vs tors. theta energy: -87.565
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: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1176.315513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.315513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.315513 (E_RNA)
where:
Base-Base interactions energy: -686.703
where: short stacking energy: -336.826
Base-Backbone interact. energy: -2.804
local terms energy: -486.808127
where:
bonds (distance) C4'-P energy: -115.749
bonds (distance) P-C4' energy: -126.428
flat angles C4'-P-C4' energy: -133.738
flat angles P-C4'-P energy: -59.665
tors. eta vs tors. theta energy: -51.229
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: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1110.791482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.791482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.791482 (E_RNA)
where:
Base-Base interactions energy: -668.662
where: short stacking energy: -332.731
Base-Backbone interact. energy: 0.709
local terms energy: -442.838794
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -119.365
flat angles C4'-P-C4' energy: -125.102
flat angles P-C4'-P energy: -65.234
tors. eta vs tors. theta energy: -34.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -885.351614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.351614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.351614 (E_RNA)
where:
Base-Base interactions energy: -496.250
where: short stacking energy: -252.151
Base-Backbone interact. energy: 6.937
local terms energy: -396.038393
where:
bonds (distance) C4'-P energy: -101.077
bonds (distance) P-C4' energy: -104.685
flat angles C4'-P-C4' energy: -108.790
flat angles P-C4'-P energy: -75.429
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2519.865863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.865863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.865863 (E_RNA)
where:
Base-Base interactions energy: -1728.007
where: short stacking energy: -757.333
Base-Backbone interact. energy: -4.094
local terms energy: -787.764849
where:
bonds (distance) C4'-P energy: -150.921
bonds (distance) P-C4' energy: -151.574
flat angles C4'-P-C4' energy: -163.878
flat angles P-C4'-P energy: -106.977
tors. eta vs tors. theta energy: -214.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2474.548709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.548709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.548709 (E_RNA)
where:
Base-Base interactions energy: -1699.713
where: short stacking energy: -742.671
Base-Backbone interact. energy: -0.846
local terms energy: -773.990082
where:
bonds (distance) C4'-P energy: -134.928
bonds (distance) P-C4' energy: -139.801
flat angles C4'-P-C4' energy: -160.378
flat angles P-C4'-P energy: -106.193
tors. eta vs tors. theta energy: -232.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2264.897377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.897377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.897377 (E_RNA)
where:
Base-Base interactions energy: -1585.605
where: short stacking energy: -660.304
Base-Backbone interact. energy: 2.003
local terms energy: -681.294638
where:
bonds (distance) C4'-P energy: -123.753
bonds (distance) P-C4' energy: -134.142
flat angles C4'-P-C4' energy: -148.591
flat angles P-C4'-P energy: -92.375
tors. eta vs tors. theta energy: -182.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2164.957244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.957244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.957244 (E_RNA)
where:
Base-Base interactions energy: -1489.259
where: short stacking energy: -651.298
Base-Backbone interact. energy: -4.738
local terms energy: -670.959754
where:
bonds (distance) C4'-P energy: -118.889
bonds (distance) P-C4' energy: -126.976
flat angles C4'-P-C4' energy: -150.518
flat angles P-C4'-P energy: -85.739
tors. eta vs tors. theta energy: -188.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1905.156912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.156912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.156912 (E_RNA)
where:
Base-Base interactions energy: -1271.854
where: short stacking energy: -555.050
Base-Backbone interact. energy: 2.419
local terms energy: -635.721853
where:
bonds (distance) C4'-P energy: -142.342
bonds (distance) P-C4' energy: -128.382
flat angles C4'-P-C4' energy: -144.562
flat angles P-C4'-P energy: -80.983
tors. eta vs tors. theta energy: -139.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1787.769487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.769487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.769487 (E_RNA)
where:
Base-Base interactions energy: -1195.979
where: short stacking energy: -534.377
Base-Backbone interact. energy: -2.335
local terms energy: -589.455248
where:
bonds (distance) C4'-P energy: -117.687
bonds (distance) P-C4' energy: -115.342
flat angles C4'-P-C4' energy: -134.769
flat angles P-C4'-P energy: -78.806
tors. eta vs tors. theta energy: -142.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1401.688189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.688189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.688189 (E_RNA)
where:
Base-Base interactions energy: -864.430
where: short stacking energy: -406.297
Base-Backbone interact. energy: -2.648
local terms energy: -534.609851
where:
bonds (distance) C4'-P energy: -118.106
bonds (distance) P-C4' energy: -117.455
flat angles C4'-P-C4' energy: -142.571
flat angles P-C4'-P energy: -84.887
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1188.780644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.780644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.780644 (E_RNA)
where:
Base-Base interactions energy: -693.244
where: short stacking energy: -333.451
Base-Backbone interact. energy: -1.146
local terms energy: -494.390007
where:
bonds (distance) C4'-P energy: -123.309
bonds (distance) P-C4' energy: -126.403
flat angles C4'-P-C4' energy: -111.933
flat angles P-C4'-P energy: -69.167
tors. eta vs tors. theta energy: -63.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1113.211193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.211193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.211193 (E_RNA)
where:
Base-Base interactions energy: -662.469
where: short stacking energy: -354.522
Base-Backbone interact. energy: 0.565
local terms energy: -451.306871
where:
bonds (distance) C4'-P energy: -114.497
bonds (distance) P-C4' energy: -124.472
flat angles C4'-P-C4' energy: -119.951
flat angles P-C4'-P energy: -49.028
tors. eta vs tors. theta energy: -43.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -951.665673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.665673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.665673 (E_RNA)
where:
Base-Base interactions energy: -510.380
where: short stacking energy: -254.729
Base-Backbone interact. energy: -1.026
local terms energy: -440.260450
where:
bonds (distance) C4'-P energy: -96.953
bonds (distance) P-C4' energy: -123.509
flat angles C4'-P-C4' energy: -116.566
flat angles P-C4'-P energy: -86.202
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2511.102566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.102566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.102566 (E_RNA)
where:
Base-Base interactions energy: -1693.642
where: short stacking energy: -738.560
Base-Backbone interact. energy: -3.211
local terms energy: -814.249457
where:
bonds (distance) C4'-P energy: -148.913
bonds (distance) P-C4' energy: -152.994
flat angles C4'-P-C4' energy: -161.660
flat angles P-C4'-P energy: -125.602
tors. eta vs tors. theta energy: -225.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2464.599143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.599143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.599143 (E_RNA)
where:
Base-Base interactions energy: -1681.994
where: short stacking energy: -730.594
Base-Backbone interact. energy: -2.593
local terms energy: -780.011590
where:
bonds (distance) C4'-P energy: -128.642
bonds (distance) P-C4' energy: -141.433
flat angles C4'-P-C4' energy: -162.776
flat angles P-C4'-P energy: -120.039
tors. eta vs tors. theta energy: -227.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2278.795730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.795730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.795730 (E_RNA)
where:
Base-Base interactions energy: -1579.402
where: short stacking energy: -660.029
Base-Backbone interact. energy: -3.539
local terms energy: -695.854191
where:
bonds (distance) C4'-P energy: -139.730
bonds (distance) P-C4' energy: -121.376
flat angles C4'-P-C4' energy: -153.785
flat angles P-C4'-P energy: -101.264
tors. eta vs tors. theta energy: -179.699
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: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2214.072920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.072920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.072920 (E_RNA)
where:
Base-Base interactions energy: -1505.259
where: short stacking energy: -667.487
Base-Backbone interact. energy: -2.883
local terms energy: -705.931263
where:
bonds (distance) C4'-P energy: -130.214
bonds (distance) P-C4' energy: -138.564
flat angles C4'-P-C4' energy: -164.958
flat angles P-C4'-P energy: -86.828
tors. eta vs tors. theta energy: -185.367
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: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1937.266725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.266725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.266725 (E_RNA)
where:
Base-Base interactions energy: -1275.540
where: short stacking energy: -576.321
Base-Backbone interact. energy: -1.268
local terms energy: -660.458195
where:
bonds (distance) C4'-P energy: -119.418
bonds (distance) P-C4' energy: -123.103
flat angles C4'-P-C4' energy: -152.960
flat angles P-C4'-P energy: -98.810
tors. eta vs tors. theta energy: -166.167
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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1785.282957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.282957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.282957 (E_RNA)
where:
Base-Base interactions energy: -1175.317
where: short stacking energy: -503.796
Base-Backbone interact. energy: -0.565
local terms energy: -609.400420
where:
bonds (distance) C4'-P energy: -123.706
bonds (distance) P-C4' energy: -125.665
flat angles C4'-P-C4' energy: -138.804
flat angles P-C4'-P energy: -84.216
tors. eta vs tors. theta energy: -137.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1430.257970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.257970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.257970 (E_RNA)
where:
Base-Base interactions energy: -899.679
where: short stacking energy: -415.569
Base-Backbone interact. energy: -3.163
local terms energy: -527.415963
where:
bonds (distance) C4'-P energy: -118.054
bonds (distance) P-C4' energy: -123.402
flat angles C4'-P-C4' energy: -140.739
flat angles P-C4'-P energy: -84.545
tors. eta vs tors. theta energy: -60.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1226.188524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.188524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.188524 (E_RNA)
where:
Base-Base interactions energy: -744.131
where: short stacking energy: -378.092
Base-Backbone interact. energy: -1.044
local terms energy: -481.013911
where:
bonds (distance) C4'-P energy: -115.010
bonds (distance) P-C4' energy: -110.167
flat angles C4'-P-C4' energy: -118.129
flat angles P-C4'-P energy: -76.223
tors. eta vs tors. theta energy: -61.485
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: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1128.227194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.227194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.227194 (E_RNA)
where:
Base-Base interactions energy: -684.661
where: short stacking energy: -325.105
Base-Backbone interact. energy: 5.817
local terms energy: -449.383087
where:
bonds (distance) C4'-P energy: -102.442
bonds (distance) P-C4' energy: -109.152
flat angles C4'-P-C4' energy: -128.569
flat angles P-C4'-P energy: -57.329
tors. eta vs tors. theta energy: -51.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -875.154032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.154032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.154032 (E_RNA)
where:
Base-Base interactions energy: -479.836
where: short stacking energy: -254.851
Base-Backbone interact. energy: 1.811
local terms energy: -397.128838
where:
bonds (distance) C4'-P energy: -94.607
bonds (distance) P-C4' energy: -119.406
flat angles C4'-P-C4' energy: -104.024
flat angles P-C4'-P energy: -67.183
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2511.332037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.332037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.332037 (E_RNA)
where:
Base-Base interactions energy: -1722.840
where: short stacking energy: -747.882
Base-Backbone interact. energy: -2.052
local terms energy: -786.439596
where:
bonds (distance) C4'-P energy: -129.874
bonds (distance) P-C4' energy: -144.489
flat angles C4'-P-C4' energy: -159.552
flat angles P-C4'-P energy: -122.741
tors. eta vs tors. theta energy: -229.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2469.025882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.025882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.025882 (E_RNA)
where:
Base-Base interactions energy: -1717.421
where: short stacking energy: -755.824
Base-Backbone interact. energy: -2.496
local terms energy: -749.109696
where:
bonds (distance) C4'-P energy: -133.437
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -158.342
flat angles P-C4'-P energy: -103.936
tors. eta vs tors. theta energy: -228.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2322.000212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.000212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.000212 (E_RNA)
where:
Base-Base interactions energy: -1583.733
where: short stacking energy: -666.787
Base-Backbone interact. energy: 2.470
local terms energy: -740.737531
where:
bonds (distance) C4'-P energy: -130.983
bonds (distance) P-C4' energy: -142.611
flat angles C4'-P-C4' energy: -164.916
flat angles P-C4'-P energy: -109.174
tors. eta vs tors. theta energy: -193.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2189.298669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.298669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.298669 (E_RNA)
where:
Base-Base interactions energy: -1465.043
where: short stacking energy: -658.735
Base-Backbone interact. energy: -2.666
local terms energy: -721.589422
where:
bonds (distance) C4'-P energy: -139.923
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -155.576
flat angles P-C4'-P energy: -102.299
tors. eta vs tors. theta energy: -188.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1986.777092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.777092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.777092 (E_RNA)
where:
Base-Base interactions energy: -1317.616
where: short stacking energy: -599.619
Base-Backbone interact. energy: -2.024
local terms energy: -667.136680
where:
bonds (distance) C4'-P energy: -112.548
bonds (distance) P-C4' energy: -144.133
flat angles C4'-P-C4' energy: -137.761
flat angles P-C4'-P energy: -95.865
tors. eta vs tors. theta energy: -176.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1790.179825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.179825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.179825 (E_RNA)
where:
Base-Base interactions energy: -1238.009
where: short stacking energy: -543.093
Base-Backbone interact. energy: -1.145
local terms energy: -551.026072
where:
bonds (distance) C4'-P energy: -122.808
bonds (distance) P-C4' energy: -106.939
flat angles C4'-P-C4' energy: -123.184
flat angles P-C4'-P energy: -85.234
tors. eta vs tors. theta energy: -112.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1416.394816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.394816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.394816 (E_RNA)
where:
Base-Base interactions energy: -905.873
where: short stacking energy: -421.736
Base-Backbone interact. energy: -3.254
local terms energy: -507.267567
where:
bonds (distance) C4'-P energy: -108.189
bonds (distance) P-C4' energy: -117.492
flat angles C4'-P-C4' energy: -135.155
flat angles P-C4'-P energy: -80.054
tors. eta vs tors. theta energy: -66.378
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: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1188.812788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.812788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.812788 (E_RNA)
where:
Base-Base interactions energy: -718.383
where: short stacking energy: -357.743
Base-Backbone interact. energy: 1.870
local terms energy: -472.300500
where:
bonds (distance) C4'-P energy: -112.445
bonds (distance) P-C4' energy: -122.320
flat angles C4'-P-C4' energy: -120.733
flat angles P-C4'-P energy: -68.052
tors. eta vs tors. theta energy: -48.751
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1143.206661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.206661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.206661 (E_RNA)
where:
Base-Base interactions energy: -655.994
where: short stacking energy: -327.286
Base-Backbone interact. energy: -1.928
local terms energy: -485.284970
where:
bonds (distance) C4'-P energy: -106.251
bonds (distance) P-C4' energy: -136.577
flat angles C4'-P-C4' energy: -112.664
flat angles P-C4'-P energy: -71.237
tors. eta vs tors. theta energy: -58.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -905.679627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.679627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.679627 (E_RNA)
where:
Base-Base interactions energy: -556.699
where: short stacking energy: -293.437
Base-Backbone interact. energy: 2.013
local terms energy: -350.993106
where:
bonds (distance) C4'-P energy: -95.138
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -122.428
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2500.054251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.054251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.054251 (E_RNA)
where:
Base-Base interactions energy: -1697.505
where: short stacking energy: -739.133
Base-Backbone interact. energy: -0.280
local terms energy: -802.269884
where:
bonds (distance) C4'-P energy: -154.789
bonds (distance) P-C4' energy: -142.858
flat angles C4'-P-C4' energy: -160.179
flat angles P-C4'-P energy: -113.340
tors. eta vs tors. theta energy: -231.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2467.610689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.610689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.610689 (E_RNA)
where:
Base-Base interactions energy: -1707.690
where: short stacking energy: -740.989
Base-Backbone interact. energy: -0.908
local terms energy: -759.012109
where:
bonds (distance) C4'-P energy: -135.267
bonds (distance) P-C4' energy: -143.069
flat angles C4'-P-C4' energy: -152.399
flat angles P-C4'-P energy: -98.984
tors. eta vs tors. theta energy: -229.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2330.744193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.744193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.744193 (E_RNA)
where:
Base-Base interactions energy: -1652.830
where: short stacking energy: -664.415
Base-Backbone interact. energy: -1.901
local terms energy: -676.013854
where:
bonds (distance) C4'-P energy: -127.595
bonds (distance) P-C4' energy: -115.631
flat angles C4'-P-C4' energy: -146.904
flat angles P-C4'-P energy: -90.058
tors. eta vs tors. theta energy: -195.826
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: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2170.823475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.823475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.823475 (E_RNA)
where:
Base-Base interactions energy: -1486.628
where: short stacking energy: -635.441
Base-Backbone interact. energy: -2.031
local terms energy: -682.164580
where:
bonds (distance) C4'-P energy: -121.480
bonds (distance) P-C4' energy: -142.560
flat angles C4'-P-C4' energy: -147.348
flat angles P-C4'-P energy: -91.582
tors. eta vs tors. theta energy: -179.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1945.407827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.407827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.407827 (E_RNA)
where:
Base-Base interactions energy: -1284.810
where: short stacking energy: -588.776
Base-Backbone interact. energy: -2.438
local terms energy: -658.159961
where:
bonds (distance) C4'-P energy: -129.842
bonds (distance) P-C4' energy: -125.635
flat angles C4'-P-C4' energy: -125.181
flat angles P-C4'-P energy: -102.239
tors. eta vs tors. theta energy: -175.262
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: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1839.743579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.743579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.743579 (E_RNA)
where:
Base-Base interactions energy: -1228.361
where: short stacking energy: -532.649
Base-Backbone interact. energy: -2.022
local terms energy: -609.359926
where:
bonds (distance) C4'-P energy: -124.724
bonds (distance) P-C4' energy: -146.429
flat angles C4'-P-C4' energy: -121.285
flat angles P-C4'-P energy: -88.611
tors. eta vs tors. theta energy: -128.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1405.588033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.588033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.588033 (E_RNA)
where:
Base-Base interactions energy: -894.059
where: short stacking energy: -460.774
Base-Backbone interact. energy: -1.290
local terms energy: -510.238409
where:
bonds (distance) C4'-P energy: -127.957
bonds (distance) P-C4' energy: -122.956
flat angles C4'-P-C4' energy: -114.136
flat angles P-C4'-P energy: -64.884
tors. eta vs tors. theta energy: -80.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1268.013832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.013832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.013832 (E_RNA)
where:
Base-Base interactions energy: -758.213
where: short stacking energy: -374.608
Base-Backbone interact. energy: -1.409
local terms energy: -508.391895
where:
bonds (distance) C4'-P energy: -110.651
bonds (distance) P-C4' energy: -140.751
flat angles C4'-P-C4' energy: -105.780
flat angles P-C4'-P energy: -80.154
tors. eta vs tors. theta energy: -71.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1154.835599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.835599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.835599 (E_RNA)
where:
Base-Base interactions energy: -674.122
where: short stacking energy: -359.293
Base-Backbone interact. energy: 2.609
local terms energy: -483.322110
where:
bonds (distance) C4'-P energy: -106.230
bonds (distance) P-C4' energy: -116.685
flat angles C4'-P-C4' energy: -105.324
flat angles P-C4'-P energy: -84.841
tors. eta vs tors. theta energy: -70.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -921.774377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.774377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.774377 (E_RNA)
where:
Base-Base interactions energy: -504.602
where: short stacking energy: -251.568
Base-Backbone interact. energy: 0.755
local terms energy: -417.927298
where:
bonds (distance) C4'-P energy: -108.629
bonds (distance) P-C4' energy: -114.327
flat angles C4'-P-C4' energy: -107.322
flat angles P-C4'-P energy: -60.838
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2467.431217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.431217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.431217 (E_RNA)
where:
Base-Base interactions energy: -1691.490
where: short stacking energy: -733.853
Base-Backbone interact. energy: -3.592
local terms energy: -772.349331
where:
bonds (distance) C4'-P energy: -135.502
bonds (distance) P-C4' energy: -142.702
flat angles C4'-P-C4' energy: -170.851
flat angles P-C4'-P energy: -106.816
tors. eta vs tors. theta energy: -216.478
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: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2445.565370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.565370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.565370 (E_RNA)
where:
Base-Base interactions energy: -1677.874
where: short stacking energy: -739.509
Base-Backbone interact. energy: -2.859
local terms energy: -764.832139
where:
bonds (distance) C4'-P energy: -131.374
bonds (distance) P-C4' energy: -144.040
flat angles C4'-P-C4' energy: -162.415
flat angles P-C4'-P energy: -97.124
tors. eta vs tors. theta energy: -229.879
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: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2320.794477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.794477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.794477 (E_RNA)
where:
Base-Base interactions energy: -1619.246
where: short stacking energy: -637.664
Base-Backbone interact. energy: -1.138
local terms energy: -700.410421
where:
bonds (distance) C4'-P energy: -131.865
bonds (distance) P-C4' energy: -147.673
flat angles C4'-P-C4' energy: -152.007
flat angles P-C4'-P energy: -90.141
tors. eta vs tors. theta energy: -178.725
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: 185
Temperature: 1.050000
Total energy: -2221.816364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.816364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.816364 (E_RNA)
where:
Base-Base interactions energy: -1504.561
where: short stacking energy: -663.745
Base-Backbone interact. energy: -3.300
local terms energy: -713.955687
where:
bonds (distance) C4'-P energy: -126.143
bonds (distance) P-C4' energy: -127.014
flat angles C4'-P-C4' energy: -159.037
flat angles P-C4'-P energy: -101.714
tors. eta vs tors. theta energy: -200.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1872.221899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.221899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.221899 (E_RNA)
where:
Base-Base interactions energy: -1212.102
where: short stacking energy: -553.868
Base-Backbone interact. energy: 1.705
local terms energy: -661.825200
where:
bonds (distance) C4'-P energy: -139.795
bonds (distance) P-C4' energy: -134.920
flat angles C4'-P-C4' energy: -133.025
flat angles P-C4'-P energy: -96.332
tors. eta vs tors. theta energy: -157.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1842.499954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.499954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.499954 (E_RNA)
where:
Base-Base interactions energy: -1242.159
where: short stacking energy: -546.647
Base-Backbone interact. energy: 0.894
local terms energy: -601.235151
where:
bonds (distance) C4'-P energy: -112.890
bonds (distance) P-C4' energy: -108.745
flat angles C4'-P-C4' energy: -149.870
flat angles P-C4'-P energy: -97.716
tors. eta vs tors. theta energy: -132.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1381.575848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.575848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.575848 (E_RNA)
where:
Base-Base interactions energy: -874.763
where: short stacking energy: -409.644
Base-Backbone interact. energy: 2.008
local terms energy: -508.820463
where:
bonds (distance) C4'-P energy: -110.978
bonds (distance) P-C4' energy: -116.676
flat angles C4'-P-C4' energy: -120.419
flat angles P-C4'-P energy: -79.586
tors. eta vs tors. theta energy: -81.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1279.986875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.986875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.986875 (E_RNA)
where:
Base-Base interactions energy: -780.024
where: short stacking energy: -374.170
Base-Backbone interact. energy: -1.899
local terms energy: -498.063052
where:
bonds (distance) C4'-P energy: -115.518
bonds (distance) P-C4' energy: -129.290
flat angles C4'-P-C4' energy: -99.623
flat angles P-C4'-P energy: -76.936
tors. eta vs tors. theta energy: -76.697
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: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1112.667945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.667945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.667945 (E_RNA)
where:
Base-Base interactions energy: -637.324
where: short stacking energy: -324.260
Base-Backbone interact. energy: -2.378
local terms energy: -472.965829
where:
bonds (distance) C4'-P energy: -118.020
bonds (distance) P-C4' energy: -96.857
flat angles C4'-P-C4' energy: -132.370
flat angles P-C4'-P energy: -78.509
tors. eta vs tors. theta energy: -47.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -932.642088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.642088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.642088 (E_RNA)
where:
Base-Base interactions energy: -530.771
where: short stacking energy: -252.862
Base-Backbone interact. energy: 0.571
local terms energy: -402.442264
where:
bonds (distance) C4'-P energy: -128.887
bonds (distance) P-C4' energy: -122.299
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -46.054
tors. eta vs tors. theta energy: -2.338
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: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2482.768749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.768749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.768749 (E_RNA)
where:
Base-Base interactions energy: -1697.218
where: short stacking energy: -764.096
Base-Backbone interact. energy: -5.135
local terms energy: -780.415905
where:
bonds (distance) C4'-P energy: -131.156
bonds (distance) P-C4' energy: -151.373
flat angles C4'-P-C4' energy: -167.647
flat angles P-C4'-P energy: -110.459
tors. eta vs tors. theta energy: -219.782
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: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2449.919907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.919907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.919907 (E_RNA)
where:
Base-Base interactions energy: -1693.859
where: short stacking energy: -742.874
Base-Backbone interact. energy: -0.096
local terms energy: -755.965143
where:
bonds (distance) C4'-P energy: -134.087
bonds (distance) P-C4' energy: -135.320
flat angles C4'-P-C4' energy: -165.589
flat angles P-C4'-P energy: -104.242
tors. eta vs tors. theta energy: -216.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2327.502984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.502984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.502984 (E_RNA)
where:
Base-Base interactions energy: -1650.804
where: short stacking energy: -657.311
Base-Backbone interact. energy: 0.178
local terms energy: -676.876774
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -128.531
flat angles C4'-P-C4' energy: -152.330
flat angles P-C4'-P energy: -99.391
tors. eta vs tors. theta energy: -176.453
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: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2167.918298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.918298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.918298 (E_RNA)
where:
Base-Base interactions energy: -1504.820
where: short stacking energy: -663.038
Base-Backbone interact. energy: 0.234
local terms energy: -663.332150
where:
bonds (distance) C4'-P energy: -132.313
bonds (distance) P-C4' energy: -106.137
flat angles C4'-P-C4' energy: -144.733
flat angles P-C4'-P energy: -91.819
tors. eta vs tors. theta energy: -188.329
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: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1992.139650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.139650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.139650 (E_RNA)
where:
Base-Base interactions energy: -1348.692
where: short stacking energy: -608.466
Base-Backbone interact. energy: -1.569
local terms energy: -641.878757
where:
bonds (distance) C4'-P energy: -120.147
bonds (distance) P-C4' energy: -146.236
flat angles C4'-P-C4' energy: -127.602
flat angles P-C4'-P energy: -83.649
tors. eta vs tors. theta energy: -164.244
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: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1787.212704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.212704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.212704 (E_RNA)
where:
Base-Base interactions energy: -1191.920
where: short stacking energy: -516.715
Base-Backbone interact. energy: -1.162
local terms energy: -594.130290
where:
bonds (distance) C4'-P energy: -110.952
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -141.762
flat angles P-C4'-P energy: -77.050
tors. eta vs tors. theta energy: -136.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1354.015146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.015146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.015146 (E_RNA)
where:
Base-Base interactions energy: -843.789
where: short stacking energy: -398.485
Base-Backbone interact. energy: 0.587
local terms energy: -510.812924
where:
bonds (distance) C4'-P energy: -117.014
bonds (distance) P-C4' energy: -120.121
flat angles C4'-P-C4' energy: -119.614
flat angles P-C4'-P energy: -85.411
tors. eta vs tors. theta energy: -68.654
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: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1223.942153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.942153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.942153 (E_RNA)
where:
Base-Base interactions energy: -745.106
where: short stacking energy: -357.854
Base-Backbone interact. energy: -3.182
local terms energy: -475.653524
where:
bonds (distance) C4'-P energy: -108.524
bonds (distance) P-C4' energy: -125.053
flat angles C4'-P-C4' energy: -114.932
flat angles P-C4'-P energy: -72.847
tors. eta vs tors. theta energy: -54.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1077.986882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.986882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.986882 (E_RNA)
where:
Base-Base interactions energy: -647.542
where: short stacking energy: -336.108
Base-Backbone interact. energy: 4.947
local terms energy: -435.391953
where:
bonds (distance) C4'-P energy: -88.641
bonds (distance) P-C4' energy: -106.277
flat angles C4'-P-C4' energy: -113.605
flat angles P-C4'-P energy: -68.570
tors. eta vs tors. theta energy: -58.299
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: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -949.185090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.185090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.185090 (E_RNA)
where:
Base-Base interactions energy: -523.901
where: short stacking energy: -271.248
Base-Backbone interact. energy: -1.651
local terms energy: -423.632686
where:
bonds (distance) C4'-P energy: -115.116
bonds (distance) P-C4' energy: -132.269
flat angles C4'-P-C4' energy: -94.571
flat angles P-C4'-P energy: -64.119
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2500.820080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.820080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.820080 (E_RNA)
where:
Base-Base interactions energy: -1704.587
where: short stacking energy: -751.486
Base-Backbone interact. energy: -0.534
local terms energy: -795.698854
where:
bonds (distance) C4'-P energy: -150.541
bonds (distance) P-C4' energy: -134.444
flat angles C4'-P-C4' energy: -168.210
flat angles P-C4'-P energy: -114.619
tors. eta vs tors. theta energy: -227.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2418.374785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.374785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.374785 (E_RNA)
where:
Base-Base interactions energy: -1685.285
where: short stacking energy: -686.513
Base-Backbone interact. energy: 0.545
local terms energy: -733.634745
where:
bonds (distance) C4'-P energy: -136.014
bonds (distance) P-C4' energy: -145.663
flat angles C4'-P-C4' energy: -159.522
flat angles P-C4'-P energy: -100.353
tors. eta vs tors. theta energy: -192.084
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2388.720926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.720926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.720926 (E_RNA)
where:
Base-Base interactions energy: -1647.559
where: short stacking energy: -727.649
Base-Backbone interact. energy: -4.259
local terms energy: -736.902051
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -140.879
flat angles C4'-P-C4' energy: -154.117
flat angles P-C4'-P energy: -98.812
tors. eta vs tors. theta energy: -212.004
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: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2177.576100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.576100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.576100 (E_RNA)
where:
Base-Base interactions energy: -1471.261
where: short stacking energy: -665.815
Base-Backbone interact. energy: 0.132
local terms energy: -706.446826
where:
bonds (distance) C4'-P energy: -119.468
bonds (distance) P-C4' energy: -122.490
flat angles C4'-P-C4' energy: -162.278
flat angles P-C4'-P energy: -99.959
tors. eta vs tors. theta energy: -202.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1969.749402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.749402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.749402 (E_RNA)
where:
Base-Base interactions energy: -1355.862
where: short stacking energy: -594.506
Base-Backbone interact. energy: -0.575
local terms energy: -613.312114
where:
bonds (distance) C4'-P energy: -96.248
bonds (distance) P-C4' energy: -129.428
flat angles C4'-P-C4' energy: -144.404
flat angles P-C4'-P energy: -99.766
tors. eta vs tors. theta energy: -143.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1846.782395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.782395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.782395 (E_RNA)
where:
Base-Base interactions energy: -1189.724
where: short stacking energy: -532.026
Base-Backbone interact. energy: -3.142
local terms energy: -653.916518
where:
bonds (distance) C4'-P energy: -115.883
bonds (distance) P-C4' energy: -147.826
flat angles C4'-P-C4' energy: -143.510
flat angles P-C4'-P energy: -103.924
tors. eta vs tors. theta energy: -142.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1421.088369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.088369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.088369 (E_RNA)
where:
Base-Base interactions energy: -876.180
where: short stacking energy: -425.303
Base-Backbone interact. energy: -3.168
local terms energy: -541.740630
where:
bonds (distance) C4'-P energy: -134.384
bonds (distance) P-C4' energy: -128.299
flat angles C4'-P-C4' energy: -113.954
flat angles P-C4'-P energy: -71.169
tors. eta vs tors. theta energy: -93.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1236.254967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.254967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.254967 (E_RNA)
where:
Base-Base interactions energy: -766.208
where: short stacking energy: -397.784
Base-Backbone interact. energy: 1.242
local terms energy: -471.289081
where:
bonds (distance) C4'-P energy: -92.207
bonds (distance) P-C4' energy: -112.802
flat angles C4'-P-C4' energy: -105.351
flat angles P-C4'-P energy: -92.889
tors. eta vs tors. theta energy: -68.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1160.516090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.516090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.516090 (E_RNA)
where:
Base-Base interactions energy: -725.003
where: short stacking energy: -348.872
Base-Backbone interact. energy: 1.996
local terms energy: -437.509045
where:
bonds (distance) C4'-P energy: -112.333
bonds (distance) P-C4' energy: -102.540
flat angles C4'-P-C4' energy: -106.015
flat angles P-C4'-P energy: -73.390
tors. eta vs tors. theta energy: -43.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -924.228199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.228199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.228199 (E_RNA)
where:
Base-Base interactions energy: -488.927
where: short stacking energy: -269.872
Base-Backbone interact. energy: -1.686
local terms energy: -433.614646
where:
bonds (distance) C4'-P energy: -128.833
bonds (distance) P-C4' energy: -106.439
flat angles C4'-P-C4' energy: -117.762
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2486.328512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.328512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.328512 (E_RNA)
where:
Base-Base interactions energy: -1718.988
where: short stacking energy: -743.285
Base-Backbone interact. energy: -2.291
local terms energy: -765.049662
where:
bonds (distance) C4'-P energy: -120.776
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -172.290
flat angles P-C4'-P energy: -107.973
tors. eta vs tors. theta energy: -217.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2414.686868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.686868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.686868 (E_RNA)
where:
Base-Base interactions energy: -1690.082
where: short stacking energy: -700.655
Base-Backbone interact. energy: 1.572
local terms energy: -726.176049
where:
bonds (distance) C4'-P energy: -135.306
bonds (distance) P-C4' energy: -135.905
flat angles C4'-P-C4' energy: -143.331
flat angles P-C4'-P energy: -114.514
tors. eta vs tors. theta energy: -197.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2365.856227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.856227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.856227 (E_RNA)
where:
Base-Base interactions energy: -1646.105
where: short stacking energy: -724.576
Base-Backbone interact. energy: 1.328
local terms energy: -721.079195
where:
bonds (distance) C4'-P energy: -142.642
bonds (distance) P-C4' energy: -119.523
flat angles C4'-P-C4' energy: -148.963
flat angles P-C4'-P energy: -97.878
tors. eta vs tors. theta energy: -212.073
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: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2180.284857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.284857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.284857 (E_RNA)
where:
Base-Base interactions energy: -1472.519
where: short stacking energy: -697.135
Base-Backbone interact. energy: 3.015
local terms energy: -710.780130
where:
bonds (distance) C4'-P energy: -136.927
bonds (distance) P-C4' energy: -131.081
flat angles C4'-P-C4' energy: -148.514
flat angles P-C4'-P energy: -95.575
tors. eta vs tors. theta energy: -198.683
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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1979.853145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.853145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.853145 (E_RNA)
where:
Base-Base interactions energy: -1358.922
where: short stacking energy: -585.001
Base-Backbone interact. energy: -4.824
local terms energy: -616.107851
where:
bonds (distance) C4'-P energy: -108.117
bonds (distance) P-C4' energy: -128.948
flat angles C4'-P-C4' energy: -135.608
flat angles P-C4'-P energy: -95.228
tors. eta vs tors. theta energy: -148.207
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: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1858.481410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.481410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.481410 (E_RNA)
where:
Base-Base interactions energy: -1231.315
where: short stacking energy: -568.128
Base-Backbone interact. energy: -2.500
local terms energy: -624.665957
where:
bonds (distance) C4'-P energy: -113.573
bonds (distance) P-C4' energy: -120.918
flat angles C4'-P-C4' energy: -146.791
flat angles P-C4'-P energy: -94.128
tors. eta vs tors. theta energy: -149.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1416.030433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.030433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.030433 (E_RNA)
where:
Base-Base interactions energy: -907.079
where: short stacking energy: -425.055
Base-Backbone interact. energy: 4.051
local terms energy: -513.002082
where:
bonds (distance) C4'-P energy: -125.008
bonds (distance) P-C4' energy: -134.330
flat angles C4'-P-C4' energy: -114.247
flat angles P-C4'-P energy: -71.962
tors. eta vs tors. theta energy: -67.454
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: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1231.566450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.566450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.566450 (E_RNA)
where:
Base-Base interactions energy: -724.123
where: short stacking energy: -360.051
Base-Backbone interact. energy: 2.569
local terms energy: -510.012163
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -127.221
flat angles C4'-P-C4' energy: -111.520
flat angles P-C4'-P energy: -84.249
tors. eta vs tors. theta energy: -73.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1128.046476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.046476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.046476 (E_RNA)
where:
Base-Base interactions energy: -682.588
where: short stacking energy: -312.109
Base-Backbone interact. energy: 3.823
local terms energy: -449.281510
where:
bonds (distance) C4'-P energy: -105.836
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -118.797
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -31.194
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -933.924917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.924917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.924917 (E_RNA)
where:
Base-Base interactions energy: -509.102
where: short stacking energy: -276.060
Base-Backbone interact. energy: 0.216
local terms energy: -425.039056
where:
bonds (distance) C4'-P energy: -126.784
bonds (distance) P-C4' energy: -121.495
flat angles C4'-P-C4' energy: -95.365
flat angles P-C4'-P energy: -52.254
tors. eta vs tors. theta energy: -29.141
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: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2480.357438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.357438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.357438 (E_RNA)
where:
Base-Base interactions energy: -1715.600
where: short stacking energy: -761.533
Base-Backbone interact. energy: 3.385
local terms energy: -768.142425
where:
bonds (distance) C4'-P energy: -136.065
bonds (distance) P-C4' energy: -133.651
flat angles C4'-P-C4' energy: -166.341
flat angles P-C4'-P energy: -111.898
tors. eta vs tors. theta energy: -220.187
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: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2435.602562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.602562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.602562 (E_RNA)
where:
Base-Base interactions energy: -1728.525
where: short stacking energy: -695.672
Base-Backbone interact. energy: -3.854
local terms energy: -703.223387
where:
bonds (distance) C4'-P energy: -142.782
bonds (distance) P-C4' energy: -137.062
flat angles C4'-P-C4' energy: -145.224
flat angles P-C4'-P energy: -80.706
tors. eta vs tors. theta energy: -197.449
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: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2385.498502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.498502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.498502 (E_RNA)
where:
Base-Base interactions energy: -1649.879
where: short stacking energy: -734.991
Base-Backbone interact. energy: -1.294
local terms energy: -734.325801
where:
bonds (distance) C4'-P energy: -143.528
bonds (distance) P-C4' energy: -121.278
flat angles C4'-P-C4' energy: -150.074
flat angles P-C4'-P energy: -101.574
tors. eta vs tors. theta energy: -217.872
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: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2161.251094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.251094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.251094 (E_RNA)
where:
Base-Base interactions energy: -1456.329
where: short stacking energy: -649.304
Base-Backbone interact. energy: 1.578
local terms energy: -706.500583
where:
bonds (distance) C4'-P energy: -130.008
bonds (distance) P-C4' energy: -135.133
flat angles C4'-P-C4' energy: -140.356
flat angles P-C4'-P energy: -102.292
tors. eta vs tors. theta energy: -198.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2040.429406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.429406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.429406 (E_RNA)
where:
Base-Base interactions energy: -1402.635
where: short stacking energy: -610.956
Base-Backbone interact. energy: -3.773
local terms energy: -634.021543
where:
bonds (distance) C4'-P energy: -120.598
bonds (distance) P-C4' energy: -130.970
flat angles C4'-P-C4' energy: -130.893
flat angles P-C4'-P energy: -78.335
tors. eta vs tors. theta energy: -173.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1848.662400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.662400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.662400 (E_RNA)
where:
Base-Base interactions energy: -1248.328
where: short stacking energy: -564.968
Base-Backbone interact. energy: -3.300
local terms energy: -597.033852
where:
bonds (distance) C4'-P energy: -121.530
bonds (distance) P-C4' energy: -115.914
flat angles C4'-P-C4' energy: -134.121
flat angles P-C4'-P energy: -84.707
tors. eta vs tors. theta energy: -140.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1418.273489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.273489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.273489 (E_RNA)
where:
Base-Base interactions energy: -892.247
where: short stacking energy: -385.416
Base-Backbone interact. energy: -3.446
local terms energy: -522.579646
where:
bonds (distance) C4'-P energy: -106.139
bonds (distance) P-C4' energy: -138.958
flat angles C4'-P-C4' energy: -122.899
flat angles P-C4'-P energy: -80.316
tors. eta vs tors. theta energy: -74.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1209.271887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.271887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.271887 (E_RNA)
where:
Base-Base interactions energy: -738.997
where: short stacking energy: -363.102
Base-Backbone interact. energy: -1.105
local terms energy: -469.170693
where:
bonds (distance) C4'-P energy: -121.904
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -102.600
flat angles P-C4'-P energy: -69.515
tors. eta vs tors. theta energy: -65.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1143.964012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.964012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.964012 (E_RNA)
where:
Base-Base interactions energy: -654.900
where: short stacking energy: -309.170
Base-Backbone interact. energy: -0.909
local terms energy: -488.154788
where:
bonds (distance) C4'-P energy: -117.085
bonds (distance) P-C4' energy: -131.421
flat angles C4'-P-C4' energy: -107.679
flat angles P-C4'-P energy: -77.753
tors. eta vs tors. theta energy: -54.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -973.184099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.184099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.184099 (E_RNA)
where:
Base-Base interactions energy: -535.668
where: short stacking energy: -287.050
Base-Backbone interact. energy: -2.200
local terms energy: -435.316555
where:
bonds (distance) C4'-P energy: -103.204
bonds (distance) P-C4' energy: -129.957
flat angles C4'-P-C4' energy: -105.200
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -41.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2478.605625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.605625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.605625 (E_RNA)
where:
Base-Base interactions energy: -1676.864
where: short stacking energy: -736.397
Base-Backbone interact. energy: -1.047
local terms energy: -800.694099
where:
bonds (distance) C4'-P energy: -157.255
bonds (distance) P-C4' energy: -152.561
flat angles C4'-P-C4' energy: -162.101
flat angles P-C4'-P energy: -118.520
tors. eta vs tors. theta energy: -210.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2407.546353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.546353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.546353 (E_RNA)
where:
Base-Base interactions energy: -1691.688
where: short stacking energy: -655.420
Base-Backbone interact. energy: -0.622
local terms energy: -715.236058
where:
bonds (distance) C4'-P energy: -138.245
bonds (distance) P-C4' energy: -139.261
flat angles C4'-P-C4' energy: -150.290
flat angles P-C4'-P energy: -97.290
tors. eta vs tors. theta energy: -190.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2370.418978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.418978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.418978 (E_RNA)
where:
Base-Base interactions energy: -1666.461
where: short stacking energy: -730.598
Base-Backbone interact. energy: -2.080
local terms energy: -701.877573
where:
bonds (distance) C4'-P energy: -118.188
bonds (distance) P-C4' energy: -125.768
flat angles C4'-P-C4' energy: -151.985
flat angles P-C4'-P energy: -90.724
tors. eta vs tors. theta energy: -215.212
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2178.096733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.096733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.096733 (E_RNA)
where:
Base-Base interactions energy: -1476.427
where: short stacking energy: -643.347
Base-Backbone interact. energy: -3.598
local terms energy: -698.070858
where:
bonds (distance) C4'-P energy: -127.720
bonds (distance) P-C4' energy: -137.861
flat angles C4'-P-C4' energy: -152.886
flat angles P-C4'-P energy: -97.510
tors. eta vs tors. theta energy: -182.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2020.434042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.434042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.434042 (E_RNA)
where:
Base-Base interactions energy: -1359.771
where: short stacking energy: -597.408
Base-Backbone interact. energy: -0.473
local terms energy: -660.190514
where:
bonds (distance) C4'-P energy: -123.209
bonds (distance) P-C4' energy: -130.638
flat angles C4'-P-C4' energy: -140.387
flat angles P-C4'-P energy: -99.598
tors. eta vs tors. theta energy: -166.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1837.304306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.304306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.304306 (E_RNA)
where:
Base-Base interactions energy: -1229.098
where: short stacking energy: -538.385
Base-Backbone interact. energy: -3.594
local terms energy: -604.612395
where:
bonds (distance) C4'-P energy: -111.891
bonds (distance) P-C4' energy: -130.972
flat angles C4'-P-C4' energy: -133.668
flat angles P-C4'-P energy: -83.962
tors. eta vs tors. theta energy: -144.120
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: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1583.530606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.530606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.530606 (E_RNA)
where:
Base-Base interactions energy: -986.282
where: short stacking energy: -449.275
Base-Backbone interact. energy: -3.534
local terms energy: -593.715261
where:
bonds (distance) C4'-P energy: -135.576
bonds (distance) P-C4' energy: -126.553
flat angles C4'-P-C4' energy: -126.400
flat angles P-C4'-P energy: -101.356
tors. eta vs tors. theta energy: -103.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1219.163393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.163393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.163393 (E_RNA)
where:
Base-Base interactions energy: -738.575
where: short stacking energy: -381.315
Base-Backbone interact. energy: -0.259
local terms energy: -480.329817
where:
bonds (distance) C4'-P energy: -126.192
bonds (distance) P-C4' energy: -115.931
flat angles C4'-P-C4' energy: -111.047
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -72.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1122.039039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.039039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.039039 (E_RNA)
where:
Base-Base interactions energy: -630.815
where: short stacking energy: -321.856
Base-Backbone interact. energy: -2.302
local terms energy: -488.922020
where:
bonds (distance) C4'-P energy: -119.973
bonds (distance) P-C4' energy: -135.125
flat angles C4'-P-C4' energy: -125.427
flat angles P-C4'-P energy: -62.572
tors. eta vs tors. theta energy: -45.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -935.341227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.341227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.341227 (E_RNA)
where:
Base-Base interactions energy: -538.841
where: short stacking energy: -275.961
Base-Backbone interact. energy: -3.318
local terms energy: -393.182459
where:
bonds (distance) C4'-P energy: -104.352
bonds (distance) P-C4' energy: -117.708
flat angles C4'-P-C4' energy: -91.170
flat angles P-C4'-P energy: -61.997
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2492.779799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.779799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.779799 (E_RNA)
where:
Base-Base interactions energy: -1714.768
where: short stacking energy: -779.721
Base-Backbone interact. energy: -1.732
local terms energy: -776.279157
where:
bonds (distance) C4'-P energy: -139.715
bonds (distance) P-C4' energy: -141.205
flat angles C4'-P-C4' energy: -167.086
flat angles P-C4'-P energy: -111.252
tors. eta vs tors. theta energy: -217.021
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: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2435.275176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.275176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.275176 (E_RNA)
where:
Base-Base interactions energy: -1717.838
where: short stacking energy: -719.867
Base-Backbone interact. energy: -2.392
local terms energy: -715.045558
where:
bonds (distance) C4'-P energy: -126.870
bonds (distance) P-C4' energy: -139.267
flat angles C4'-P-C4' energy: -159.486
flat angles P-C4'-P energy: -98.241
tors. eta vs tors. theta energy: -191.181
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: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2394.926461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.926461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.926461 (E_RNA)
where:
Base-Base interactions energy: -1656.376
where: short stacking energy: -713.760
Base-Backbone interact. energy: -2.773
local terms energy: -735.777482
where:
bonds (distance) C4'-P energy: -134.783
bonds (distance) P-C4' energy: -138.701
flat angles C4'-P-C4' energy: -144.489
flat angles P-C4'-P energy: -96.459
tors. eta vs tors. theta energy: -221.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2185.026366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.026366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.026366 (E_RNA)
where:
Base-Base interactions energy: -1474.564
where: short stacking energy: -652.210
Base-Backbone interact. energy: -2.632
local terms energy: -707.831071
where:
bonds (distance) C4'-P energy: -150.547
bonds (distance) P-C4' energy: -125.261
flat angles C4'-P-C4' energy: -144.458
flat angles P-C4'-P energy: -83.888
tors. eta vs tors. theta energy: -203.677
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: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1996.221139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.221139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.221139 (E_RNA)
where:
Base-Base interactions energy: -1328.043
where: short stacking energy: -588.367
Base-Backbone interact. energy: -1.842
local terms energy: -666.335568
where:
bonds (distance) C4'-P energy: -120.169
bonds (distance) P-C4' energy: -141.933
flat angles C4'-P-C4' energy: -134.681
flat angles P-C4'-P energy: -108.590
tors. eta vs tors. theta energy: -160.961
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1816.660388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.660388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.660388 (E_RNA)
where:
Base-Base interactions energy: -1228.540
where: short stacking energy: -541.629
Base-Backbone interact. energy: -2.462
local terms energy: -585.659094
where:
bonds (distance) C4'-P energy: -104.519
bonds (distance) P-C4' energy: -123.916
flat angles C4'-P-C4' energy: -127.081
flat angles P-C4'-P energy: -76.477
tors. eta vs tors. theta energy: -153.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1536.602124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.602124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.602124 (E_RNA)
where:
Base-Base interactions energy: -973.234
where: short stacking energy: -448.738
Base-Backbone interact. energy: -1.052
local terms energy: -562.316267
where:
bonds (distance) C4'-P energy: -125.863
bonds (distance) P-C4' energy: -120.689
flat angles C4'-P-C4' energy: -137.318
flat angles P-C4'-P energy: -75.606
tors. eta vs tors. theta energy: -102.840
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: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1273.772688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.772688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.772688 (E_RNA)
where:
Base-Base interactions energy: -786.390
where: short stacking energy: -371.782
Base-Backbone interact. energy: 6.983
local terms energy: -494.365730
where:
bonds (distance) C4'-P energy: -123.506
bonds (distance) P-C4' energy: -122.819
flat angles C4'-P-C4' energy: -115.801
flat angles P-C4'-P energy: -64.716
tors. eta vs tors. theta energy: -67.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1155.576535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.576535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.576535 (E_RNA)
where:
Base-Base interactions energy: -678.201
where: short stacking energy: -355.033
Base-Backbone interact. energy: -1.718
local terms energy: -475.658371
where:
bonds (distance) C4'-P energy: -114.827
bonds (distance) P-C4' energy: -114.542
flat angles C4'-P-C4' energy: -115.435
flat angles P-C4'-P energy: -69.186
tors. eta vs tors. theta energy: -61.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -956.845583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.845583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.845583 (E_RNA)
where:
Base-Base interactions energy: -541.562
where: short stacking energy: -263.737
Base-Backbone interact. energy: -0.040
local terms energy: -415.243782
where:
bonds (distance) C4'-P energy: -120.572
bonds (distance) P-C4' energy: -116.135
flat angles C4'-P-C4' energy: -99.812
flat angles P-C4'-P energy: -68.640
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2486.310534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.310534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.310534 (E_RNA)
where:
Base-Base interactions energy: -1685.828
where: short stacking energy: -754.237
Base-Backbone interact. energy: -1.283
local terms energy: -799.199516
where:
bonds (distance) C4'-P energy: -139.926
bonds (distance) P-C4' energy: -154.809
flat angles C4'-P-C4' energy: -173.235
flat angles P-C4'-P energy: -107.074
tors. eta vs tors. theta energy: -224.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2377.718206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.718206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.718206 (E_RNA)
where:
Base-Base interactions energy: -1652.183
where: short stacking energy: -673.337
Base-Backbone interact. energy: -2.365
local terms energy: -723.170426
where:
bonds (distance) C4'-P energy: -134.920
bonds (distance) P-C4' energy: -128.152
flat angles C4'-P-C4' energy: -157.834
flat angles P-C4'-P energy: -111.774
tors. eta vs tors. theta energy: -190.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2361.465336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.465336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.465336 (E_RNA)
where:
Base-Base interactions energy: -1634.847
where: short stacking energy: -701.514
Base-Backbone interact. energy: -2.123
local terms energy: -724.495216
where:
bonds (distance) C4'-P energy: -132.693
bonds (distance) P-C4' energy: -132.412
flat angles C4'-P-C4' energy: -149.887
flat angles P-C4'-P energy: -104.700
tors. eta vs tors. theta energy: -204.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2204.058624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.058624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.058624 (E_RNA)
where:
Base-Base interactions energy: -1509.149
where: short stacking energy: -675.880
Base-Backbone interact. energy: -6.378
local terms energy: -688.531666
where:
bonds (distance) C4'-P energy: -116.664
bonds (distance) P-C4' energy: -123.626
flat angles C4'-P-C4' energy: -156.092
flat angles P-C4'-P energy: -98.541
tors. eta vs tors. theta energy: -193.609
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1991.969404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.969404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.969404 (E_RNA)
where:
Base-Base interactions energy: -1365.953
where: short stacking energy: -587.815
Base-Backbone interact. energy: 0.593
local terms energy: -626.608604
where:
bonds (distance) C4'-P energy: -119.425
bonds (distance) P-C4' energy: -115.765
flat angles C4'-P-C4' energy: -140.509
flat angles P-C4'-P energy: -80.950
tors. eta vs tors. theta energy: -169.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1834.494470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.494470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.494470 (E_RNA)
where:
Base-Base interactions energy: -1239.119
where: short stacking energy: -515.833
Base-Backbone interact. energy: -1.977
local terms energy: -593.398537
where:
bonds (distance) C4'-P energy: -109.972
bonds (distance) P-C4' energy: -120.613
flat angles C4'-P-C4' energy: -127.705
flat angles P-C4'-P energy: -91.847
tors. eta vs tors. theta energy: -143.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1565.000927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.000927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.000927 (E_RNA)
where:
Base-Base interactions energy: -1027.033
where: short stacking energy: -436.929
Base-Backbone interact. energy: -1.251
local terms energy: -536.717402
where:
bonds (distance) C4'-P energy: -130.510
bonds (distance) P-C4' energy: -126.931
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -73.128
tors. eta vs tors. theta energy: -76.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1327.990811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.990811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.990811 (E_RNA)
where:
Base-Base interactions energy: -847.469
where: short stacking energy: -394.543
Base-Backbone interact. energy: 1.043
local terms energy: -481.563972
where:
bonds (distance) C4'-P energy: -93.485
bonds (distance) P-C4' energy: -121.517
flat angles C4'-P-C4' energy: -117.806
flat angles P-C4'-P energy: -86.061
tors. eta vs tors. theta energy: -62.695
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: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1164.446695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.446695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.446695 (E_RNA)
where:
Base-Base interactions energy: -705.066
where: short stacking energy: -328.769
Base-Backbone interact. energy: -2.758
local terms energy: -456.622415
where:
bonds (distance) C4'-P energy: -118.567
bonds (distance) P-C4' energy: -128.387
flat angles C4'-P-C4' energy: -108.148
flat angles P-C4'-P energy: -59.350
tors. eta vs tors. theta energy: -42.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -964.860906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.860906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.860906 (E_RNA)
where:
Base-Base interactions energy: -541.167
where: short stacking energy: -269.128
Base-Backbone interact. energy: 1.805
local terms energy: -425.498115
where:
bonds (distance) C4'-P energy: -110.879
bonds (distance) P-C4' energy: -120.122
flat angles C4'-P-C4' energy: -100.178
flat angles P-C4'-P energy: -66.353
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2479.846509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.846509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.846509 (E_RNA)
where:
Base-Base interactions energy: -1706.297
where: short stacking energy: -748.119
Base-Backbone interact. energy: -2.653
local terms energy: -770.896558
where:
bonds (distance) C4'-P energy: -134.586
bonds (distance) P-C4' energy: -134.947
flat angles C4'-P-C4' energy: -166.238
flat angles P-C4'-P energy: -117.116
tors. eta vs tors. theta energy: -218.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2400.431325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.431325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.431325 (E_RNA)
where:
Base-Base interactions energy: -1668.743
where: short stacking energy: -705.586
Base-Backbone interact. energy: 0.889
local terms energy: -732.577425
where:
bonds (distance) C4'-P energy: -137.512
bonds (distance) P-C4' energy: -155.628
flat angles C4'-P-C4' energy: -158.273
flat angles P-C4'-P energy: -89.541
tors. eta vs tors. theta energy: -191.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2374.018034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.018034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.018034 (E_RNA)
where:
Base-Base interactions energy: -1643.612
where: short stacking energy: -722.600
Base-Backbone interact. energy: 4.765
local terms energy: -735.171457
where:
bonds (distance) C4'-P energy: -132.435
bonds (distance) P-C4' energy: -134.051
flat angles C4'-P-C4' energy: -150.814
flat angles P-C4'-P energy: -102.758
tors. eta vs tors. theta energy: -215.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2205.101612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.101612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.101612 (E_RNA)
where:
Base-Base interactions energy: -1491.709
where: short stacking energy: -669.126
Base-Backbone interact. energy: -4.760
local terms energy: -708.632088
where:
bonds (distance) C4'-P energy: -131.785
bonds (distance) P-C4' energy: -138.062
flat angles C4'-P-C4' energy: -158.354
flat angles P-C4'-P energy: -94.823
tors. eta vs tors. theta energy: -185.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2018.816803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.816803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.816803 (E_RNA)
where:
Base-Base interactions energy: -1380.497
where: short stacking energy: -606.681
Base-Backbone interact. energy: -3.173
local terms energy: -635.146651
where:
bonds (distance) C4'-P energy: -110.421
bonds (distance) P-C4' energy: -121.615
flat angles C4'-P-C4' energy: -143.575
flat angles P-C4'-P energy: -95.588
tors. eta vs tors. theta energy: -163.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1914.308063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.308063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.308063 (E_RNA)
where:
Base-Base interactions energy: -1292.855
where: short stacking energy: -578.743
Base-Backbone interact. energy: -0.837
local terms energy: -620.616489
where:
bonds (distance) C4'-P energy: -120.834
bonds (distance) P-C4' energy: -127.296
flat angles C4'-P-C4' energy: -137.443
flat angles P-C4'-P energy: -79.972
tors. eta vs tors. theta energy: -155.071
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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1535.847455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.847455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.847455 (E_RNA)
where:
Base-Base interactions energy: -1004.205
where: short stacking energy: -431.185
Base-Backbone interact. energy: 6.755
local terms energy: -538.397178
where:
bonds (distance) C4'-P energy: -126.166
bonds (distance) P-C4' energy: -119.009
flat angles C4'-P-C4' energy: -129.342
flat angles P-C4'-P energy: -75.642
tors. eta vs tors. theta energy: -88.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1309.103344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.103344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.103344 (E_RNA)
where:
Base-Base interactions energy: -785.592
where: short stacking energy: -373.339
Base-Backbone interact. energy: -0.556
local terms energy: -522.955921
where:
bonds (distance) C4'-P energy: -115.712
bonds (distance) P-C4' energy: -124.007
flat angles C4'-P-C4' energy: -120.574
flat angles P-C4'-P energy: -86.958
tors. eta vs tors. theta energy: -75.705
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: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1138.097310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.097310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.097310 (E_RNA)
where:
Base-Base interactions energy: -695.963
where: short stacking energy: -365.335
Base-Backbone interact. energy: 7.356
local terms energy: -449.490593
where:
bonds (distance) C4'-P energy: -89.247
bonds (distance) P-C4' energy: -123.342
flat angles C4'-P-C4' energy: -109.614
flat angles P-C4'-P energy: -65.088
tors. eta vs tors. theta energy: -62.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -974.318974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.318974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.318974 (E_RNA)
where:
Base-Base interactions energy: -521.295
where: short stacking energy: -259.977
Base-Backbone interact. energy: -2.903
local terms energy: -450.121417
where:
bonds (distance) C4'-P energy: -127.715
bonds (distance) P-C4' energy: -136.114
flat angles C4'-P-C4' energy: -109.658
flat angles P-C4'-P energy: -61.129
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2487.259063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.259063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.259063 (E_RNA)
where:
Base-Base interactions energy: -1709.260
where: short stacking energy: -751.704
Base-Backbone interact. energy: -3.620
local terms energy: -774.379296
where:
bonds (distance) C4'-P energy: -143.627
bonds (distance) P-C4' energy: -143.222
flat angles C4'-P-C4' energy: -161.838
flat angles P-C4'-P energy: -102.932
tors. eta vs tors. theta energy: -222.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2429.850694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.850694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.850694 (E_RNA)
where:
Base-Base interactions energy: -1698.602
where: short stacking energy: -722.258
Base-Backbone interact. energy: -0.306
local terms energy: -730.943284
where:
bonds (distance) C4'-P energy: -121.028
bonds (distance) P-C4' energy: -155.346
flat angles C4'-P-C4' energy: -158.551
flat angles P-C4'-P energy: -98.320
tors. eta vs tors. theta energy: -197.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2412.851351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.851351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.851351 (E_RNA)
where:
Base-Base interactions energy: -1653.545
where: short stacking energy: -693.343
Base-Backbone interact. energy: 0.514
local terms energy: -759.820382
where:
bonds (distance) C4'-P energy: -133.677
bonds (distance) P-C4' energy: -128.408
flat angles C4'-P-C4' energy: -170.001
flat angles P-C4'-P energy: -102.963
tors. eta vs tors. theta energy: -224.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2202.951580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.951580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.951580 (E_RNA)
where:
Base-Base interactions energy: -1501.409
where: short stacking energy: -680.734
Base-Backbone interact. energy: -1.396
local terms energy: -700.147209
where:
bonds (distance) C4'-P energy: -122.375
bonds (distance) P-C4' energy: -145.076
flat angles C4'-P-C4' energy: -147.757
flat angles P-C4'-P energy: -86.670
tors. eta vs tors. theta energy: -198.269
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: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1958.465625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.465625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.465625 (E_RNA)
where:
Base-Base interactions energy: -1326.279
where: short stacking energy: -578.643
Base-Backbone interact. energy: -0.749
local terms energy: -631.437200
where:
bonds (distance) C4'-P energy: -133.135
bonds (distance) P-C4' energy: -109.026
flat angles C4'-P-C4' energy: -151.580
flat angles P-C4'-P energy: -91.114
tors. eta vs tors. theta energy: -146.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1897.099489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.099489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.099489 (E_RNA)
where:
Base-Base interactions energy: -1300.223
where: short stacking energy: -575.028
Base-Backbone interact. energy: -1.508
local terms energy: -595.368650
where:
bonds (distance) C4'-P energy: -110.278
bonds (distance) P-C4' energy: -127.807
flat angles C4'-P-C4' energy: -121.438
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -151.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1616.444963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.444963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.444963 (E_RNA)
where:
Base-Base interactions energy: -1033.142
where: short stacking energy: -473.338
Base-Backbone interact. energy: 6.403
local terms energy: -589.705687
where:
bonds (distance) C4'-P energy: -132.753
bonds (distance) P-C4' energy: -112.233
flat angles C4'-P-C4' energy: -133.892
flat angles P-C4'-P energy: -94.800
tors. eta vs tors. theta energy: -116.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1279.751642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.751642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.751642 (E_RNA)
where:
Base-Base interactions energy: -786.720
where: short stacking energy: -397.238
Base-Backbone interact. energy: -0.178
local terms energy: -492.854016
where:
bonds (distance) C4'-P energy: -111.179
bonds (distance) P-C4' energy: -124.984
flat angles C4'-P-C4' energy: -123.574
flat angles P-C4'-P energy: -67.744
tors. eta vs tors. theta energy: -65.373
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: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1121.847730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.847730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.847730 (E_RNA)
where:
Base-Base interactions energy: -676.662
where: short stacking energy: -337.957
Base-Backbone interact. energy: 0.212
local terms energy: -445.397893
where:
bonds (distance) C4'-P energy: -119.226
bonds (distance) P-C4' energy: -135.206
flat angles C4'-P-C4' energy: -108.166
flat angles P-C4'-P energy: -57.475
tors. eta vs tors. theta energy: -25.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -909.363155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.363155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.363155 (E_RNA)
where:
Base-Base interactions energy: -512.398
where: short stacking energy: -268.375
Base-Backbone interact. energy: -1.274
local terms energy: -395.691165
where:
bonds (distance) C4'-P energy: -98.319
bonds (distance) P-C4' energy: -115.465
flat angles C4'-P-C4' energy: -99.165
flat angles P-C4'-P energy: -65.130
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2479.461750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.461750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.461750 (E_RNA)
where:
Base-Base interactions energy: -1695.839
where: short stacking energy: -729.221
Base-Backbone interact. energy: -3.334
local terms energy: -780.288739
where:
bonds (distance) C4'-P energy: -147.303
bonds (distance) P-C4' energy: -143.708
flat angles C4'-P-C4' energy: -161.056
flat angles P-C4'-P energy: -104.840
tors. eta vs tors. theta energy: -223.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2420.052973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.052973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.052973 (E_RNA)
where:
Base-Base interactions energy: -1695.488
where: short stacking energy: -684.920
Base-Backbone interact. energy: -3.056
local terms energy: -721.509255
where:
bonds (distance) C4'-P energy: -136.656
bonds (distance) P-C4' energy: -145.571
flat angles C4'-P-C4' energy: -151.831
flat angles P-C4'-P energy: -97.457
tors. eta vs tors. theta energy: -189.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2388.496529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.496529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.496529 (E_RNA)
where:
Base-Base interactions energy: -1645.510
where: short stacking energy: -715.910
Base-Backbone interact. energy: -4.052
local terms energy: -738.935022
where:
bonds (distance) C4'-P energy: -114.255
bonds (distance) P-C4' energy: -129.441
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -104.866
tors. eta vs tors. theta energy: -231.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2177.225815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.225815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.225815 (E_RNA)
where:
Base-Base interactions energy: -1501.070
where: short stacking energy: -667.103
Base-Backbone interact. energy: -1.624
local terms energy: -674.532533
where:
bonds (distance) C4'-P energy: -123.131
bonds (distance) P-C4' energy: -130.187
flat angles C4'-P-C4' energy: -151.286
flat angles P-C4'-P energy: -77.939
tors. eta vs tors. theta energy: -191.990
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: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1950.444932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.444932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.444932 (E_RNA)
where:
Base-Base interactions energy: -1312.665
where: short stacking energy: -594.401
Base-Backbone interact. energy: -1.536
local terms energy: -636.243748
where:
bonds (distance) C4'-P energy: -115.073
bonds (distance) P-C4' energy: -105.192
flat angles C4'-P-C4' energy: -151.092
flat angles P-C4'-P energy: -110.370
tors. eta vs tors. theta energy: -154.517
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: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1876.878277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.878277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.878277 (E_RNA)
where:
Base-Base interactions energy: -1272.512
where: short stacking energy: -552.302
Base-Backbone interact. energy: -0.204
local terms energy: -604.162508
where:
bonds (distance) C4'-P energy: -117.432
bonds (distance) P-C4' energy: -113.832
flat angles C4'-P-C4' energy: -151.180
flat angles P-C4'-P energy: -63.698
tors. eta vs tors. theta energy: -158.021
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: 195
Temperature: 1.200000
Total energy: -1580.979447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.979447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.979447 (E_RNA)
where:
Base-Base interactions energy: -1007.793
where: short stacking energy: -462.474
Base-Backbone interact. energy: -0.483
local terms energy: -572.703604
where:
bonds (distance) C4'-P energy: -131.969
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -126.242
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -105.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1312.470483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.470483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.470483 (E_RNA)
where:
Base-Base interactions energy: -788.982
where: short stacking energy: -382.170
Base-Backbone interact. energy: 2.301
local terms energy: -525.788988
where:
bonds (distance) C4'-P energy: -128.363
bonds (distance) P-C4' energy: -130.841
flat angles C4'-P-C4' energy: -115.263
flat angles P-C4'-P energy: -81.248
tors. eta vs tors. theta energy: -70.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1063.150976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.150976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.150976 (E_RNA)
where:
Base-Base interactions energy: -601.042
where: short stacking energy: -291.932
Base-Backbone interact. energy: -2.148
local terms energy: -459.960097
where:
bonds (distance) C4'-P energy: -111.314
bonds (distance) P-C4' energy: -113.387
flat angles C4'-P-C4' energy: -119.753
flat angles P-C4'-P energy: -67.617
tors. eta vs tors. theta energy: -47.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -950.981081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.981081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.981081 (E_RNA)
where:
Base-Base interactions energy: -521.244
where: short stacking energy: -266.366
Base-Backbone interact. energy: 1.109
local terms energy: -430.845534
where:
bonds (distance) C4'-P energy: -119.894
bonds (distance) P-C4' energy: -114.485
flat angles C4'-P-C4' energy: -103.430
flat angles P-C4'-P energy: -61.723
tors. eta vs tors. theta energy: -31.314
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: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2499.079154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.079154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.079154 (E_RNA)
where:
Base-Base interactions energy: -1713.813
where: short stacking energy: -747.678
Base-Backbone interact. energy: -4.142
local terms energy: -781.123464
where:
bonds (distance) C4'-P energy: -135.074
bonds (distance) P-C4' energy: -141.671
flat angles C4'-P-C4' energy: -168.543
flat angles P-C4'-P energy: -111.072
tors. eta vs tors. theta energy: -224.765
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: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2397.301346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.301346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.301346 (E_RNA)
where:
Base-Base interactions energy: -1687.195
where: short stacking energy: -707.883
Base-Backbone interact. energy: -4.146
local terms energy: -705.959666
where:
bonds (distance) C4'-P energy: -110.642
bonds (distance) P-C4' energy: -137.399
flat angles C4'-P-C4' energy: -159.555
flat angles P-C4'-P energy: -104.595
tors. eta vs tors. theta energy: -193.769
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: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2390.077681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.077681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.077681 (E_RNA)
where:
Base-Base interactions energy: -1633.117
where: short stacking energy: -701.932
Base-Backbone interact. energy: 0.146
local terms energy: -757.106056
where:
bonds (distance) C4'-P energy: -139.378
bonds (distance) P-C4' energy: -139.995
flat angles C4'-P-C4' energy: -156.575
flat angles P-C4'-P energy: -108.420
tors. eta vs tors. theta energy: -212.738
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: 196
Temperature: 1.050000
Total energy: -2182.950522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.950522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.950522 (E_RNA)
where:
Base-Base interactions energy: -1473.723
where: short stacking energy: -670.825
Base-Backbone interact. energy: -2.606
local terms energy: -706.621773
where:
bonds (distance) C4'-P energy: -117.650
bonds (distance) P-C4' energy: -139.259
flat angles C4'-P-C4' energy: -158.859
flat angles P-C4'-P energy: -88.646
tors. eta vs tors. theta energy: -202.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2022.528633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.528633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.528633 (E_RNA)
where:
Base-Base interactions energy: -1360.318
where: short stacking energy: -598.662
Base-Backbone interact. energy: -2.834
local terms energy: -659.376990
where:
bonds (distance) C4'-P energy: -135.345
bonds (distance) P-C4' energy: -121.374
flat angles C4'-P-C4' energy: -145.609
flat angles P-C4'-P energy: -99.224
tors. eta vs tors. theta energy: -157.824
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1868.266784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.266784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.266784 (E_RNA)
where:
Base-Base interactions energy: -1244.675
where: short stacking energy: -544.147
Base-Backbone interact. energy: -1.771
local terms energy: -621.820829
where:
bonds (distance) C4'-P energy: -116.478
bonds (distance) P-C4' energy: -123.313
flat angles C4'-P-C4' energy: -140.991
flat angles P-C4'-P energy: -97.162
tors. eta vs tors. theta energy: -143.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1532.183989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.183989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.183989 (E_RNA)
where:
Base-Base interactions energy: -1015.409
where: short stacking energy: -446.673
Base-Backbone interact. energy: 1.394
local terms energy: -518.168104
where:
bonds (distance) C4'-P energy: -113.908
bonds (distance) P-C4' energy: -116.702
flat angles C4'-P-C4' energy: -124.229
flat angles P-C4'-P energy: -84.725
tors. eta vs tors. theta energy: -78.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1287.713304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.713304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.713304 (E_RNA)
where:
Base-Base interactions energy: -797.776
where: short stacking energy: -373.341
Base-Backbone interact. energy: -2.226
local terms energy: -487.711554
where:
bonds (distance) C4'-P energy: -116.420
bonds (distance) P-C4' energy: -121.894
flat angles C4'-P-C4' energy: -104.230
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -59.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1053.433140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.433140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.433140 (E_RNA)
where:
Base-Base interactions energy: -607.049
where: short stacking energy: -317.443
Base-Backbone interact. energy: 4.447
local terms energy: -450.831404
where:
bonds (distance) C4'-P energy: -101.699
bonds (distance) P-C4' energy: -120.572
flat angles C4'-P-C4' energy: -123.959
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: -39.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -930.514884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.514884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.514884 (E_RNA)
where:
Base-Base interactions energy: -532.692
where: short stacking energy: -279.022
Base-Backbone interact. energy: 5.347
local terms energy: -403.170449
where:
bonds (distance) C4'-P energy: -100.775
bonds (distance) P-C4' energy: -102.893
flat angles C4'-P-C4' energy: -126.920
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -27.763
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: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2478.093900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.093900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.093900 (E_RNA)
where:
Base-Base interactions energy: -1702.240
where: short stacking energy: -759.332
Base-Backbone interact. energy: -4.090
local terms energy: -771.764016
where:
bonds (distance) C4'-P energy: -127.391
bonds (distance) P-C4' energy: -147.436
flat angles C4'-P-C4' energy: -162.596
flat angles P-C4'-P energy: -116.334
tors. eta vs tors. theta energy: -218.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2440.574313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.574313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.574313 (E_RNA)
where:
Base-Base interactions energy: -1678.658
where: short stacking energy: -748.706
Base-Backbone interact. energy: -1.701
local terms energy: -760.215300
where:
bonds (distance) C4'-P energy: -135.988
bonds (distance) P-C4' energy: -140.694
flat angles C4'-P-C4' energy: -163.030
flat angles P-C4'-P energy: -96.405
tors. eta vs tors. theta energy: -224.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2370.308747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.308747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.308747 (E_RNA)
where:
Base-Base interactions energy: -1655.345
where: short stacking energy: -660.986
Base-Backbone interact. energy: -2.075
local terms energy: -712.889071
where:
bonds (distance) C4'-P energy: -147.726
bonds (distance) P-C4' energy: -125.352
flat angles C4'-P-C4' energy: -161.572
flat angles P-C4'-P energy: -87.910
tors. eta vs tors. theta energy: -190.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2193.050516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.050516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.050516 (E_RNA)
where:
Base-Base interactions energy: -1506.069
where: short stacking energy: -668.028
Base-Backbone interact. energy: -1.751
local terms energy: -685.230245
where:
bonds (distance) C4'-P energy: -121.478
bonds (distance) P-C4' energy: -131.995
flat angles C4'-P-C4' energy: -144.757
flat angles P-C4'-P energy: -91.975
tors. eta vs tors. theta energy: -195.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2032.572181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.572181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.572181 (E_RNA)
where:
Base-Base interactions energy: -1396.439
where: short stacking energy: -614.243
Base-Backbone interact. energy: -0.579
local terms energy: -635.554517
where:
bonds (distance) C4'-P energy: -127.964
bonds (distance) P-C4' energy: -118.680
flat angles C4'-P-C4' energy: -133.458
flat angles P-C4'-P energy: -100.500
tors. eta vs tors. theta energy: -154.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1891.734153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.734153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.734153 (E_RNA)
where:
Base-Base interactions energy: -1271.008
where: short stacking energy: -549.457
Base-Backbone interact. energy: -3.622
local terms energy: -617.103844
where:
bonds (distance) C4'-P energy: -123.358
bonds (distance) P-C4' energy: -108.591
flat angles C4'-P-C4' energy: -133.275
flat angles P-C4'-P energy: -93.812
tors. eta vs tors. theta energy: -158.069
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1577.451598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.451598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.451598 (E_RNA)
where:
Base-Base interactions energy: -1042.011
where: short stacking energy: -463.192
Base-Backbone interact. energy: -5.821
local terms energy: -529.619795
where:
bonds (distance) C4'-P energy: -123.536
bonds (distance) P-C4' energy: -128.904
flat angles C4'-P-C4' energy: -127.177
flat angles P-C4'-P energy: -58.121
tors. eta vs tors. theta energy: -91.881
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: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1332.885117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.885117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.885117 (E_RNA)
where:
Base-Base interactions energy: -799.274
where: short stacking energy: -405.295
Base-Backbone interact. energy: -1.235
local terms energy: -532.376217
where:
bonds (distance) C4'-P energy: -126.338
bonds (distance) P-C4' energy: -125.948
flat angles C4'-P-C4' energy: -125.292
flat angles P-C4'-P energy: -60.974
tors. eta vs tors. theta energy: -93.825
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: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1142.638442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.638442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.638442 (E_RNA)
where:
Base-Base interactions energy: -705.409
where: short stacking energy: -352.083
Base-Backbone interact. energy: 1.839
local terms energy: -439.068383
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -125.394
flat angles C4'-P-C4' energy: -106.802
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -43.684
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -908.260369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.260369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.260369 (E_RNA)
where:
Base-Base interactions energy: -502.796
where: short stacking energy: -248.304
Base-Backbone interact. energy: 0.544
local terms energy: -406.008397
where:
bonds (distance) C4'-P energy: -83.578
bonds (distance) P-C4' energy: -129.837
flat angles C4'-P-C4' energy: -106.334
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -15.075
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: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2512.303229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.303229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.303229 (E_RNA)
where:
Base-Base interactions energy: -1700.753
where: short stacking energy: -766.334
Base-Backbone interact. energy: -3.427
local terms energy: -808.123666
where:
bonds (distance) C4'-P energy: -134.333
bonds (distance) P-C4' energy: -153.772
flat angles C4'-P-C4' energy: -173.400
flat angles P-C4'-P energy: -121.984
tors. eta vs tors. theta energy: -224.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2453.620259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.620259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.620259 (E_RNA)
where:
Base-Base interactions energy: -1664.579
where: short stacking energy: -748.865
Base-Backbone interact. energy: -0.607
local terms energy: -788.434097
where:
bonds (distance) C4'-P energy: -144.549
bonds (distance) P-C4' energy: -145.409
flat angles C4'-P-C4' energy: -165.965
flat angles P-C4'-P energy: -113.011
tors. eta vs tors. theta energy: -219.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2345.761208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.761208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.761208 (E_RNA)
where:
Base-Base interactions energy: -1609.742
where: short stacking energy: -657.526
Base-Backbone interact. energy: -1.913
local terms energy: -734.106449
where:
bonds (distance) C4'-P energy: -132.477
bonds (distance) P-C4' energy: -150.289
flat angles C4'-P-C4' energy: -158.023
flat angles P-C4'-P energy: -101.205
tors. eta vs tors. theta energy: -192.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2198.410748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.410748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.410748 (E_RNA)
where:
Base-Base interactions energy: -1486.431
where: short stacking energy: -636.755
Base-Backbone interact. energy: 2.313
local terms energy: -714.291801
where:
bonds (distance) C4'-P energy: -135.551
bonds (distance) P-C4' energy: -139.658
flat angles C4'-P-C4' energy: -147.508
flat angles P-C4'-P energy: -94.116
tors. eta vs tors. theta energy: -197.459
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2008.776956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.776956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.776956 (E_RNA)
where:
Base-Base interactions energy: -1359.067
where: short stacking energy: -609.696
Base-Backbone interact. energy: -1.011
local terms energy: -648.699031
where:
bonds (distance) C4'-P energy: -125.125
bonds (distance) P-C4' energy: -107.204
flat angles C4'-P-C4' energy: -160.672
flat angles P-C4'-P energy: -96.863
tors. eta vs tors. theta energy: -158.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1878.258461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.258461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.258461 (E_RNA)
where:
Base-Base interactions energy: -1260.505
where: short stacking energy: -533.251
Base-Backbone interact. energy: -2.592
local terms energy: -615.160634
where:
bonds (distance) C4'-P energy: -127.735
bonds (distance) P-C4' energy: -117.626
flat angles C4'-P-C4' energy: -130.754
flat angles P-C4'-P energy: -82.371
tors. eta vs tors. theta energy: -156.674
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1525.937962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.937962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.937962 (E_RNA)
where:
Base-Base interactions energy: -1004.515
where: short stacking energy: -418.693
Base-Backbone interact. energy: 4.150
local terms energy: -525.573419
where:
bonds (distance) C4'-P energy: -112.808
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -126.091
flat angles P-C4'-P energy: -85.888
tors. eta vs tors. theta energy: -87.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1354.591763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.591763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.591763 (E_RNA)
where:
Base-Base interactions energy: -852.274
where: short stacking energy: -417.128
Base-Backbone interact. energy: 9.662
local terms energy: -511.979979
where:
bonds (distance) C4'-P energy: -123.610
bonds (distance) P-C4' energy: -121.397
flat angles C4'-P-C4' energy: -129.845
flat angles P-C4'-P energy: -67.159
tors. eta vs tors. theta energy: -69.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1186.516978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.516978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.516978 (E_RNA)
where:
Base-Base interactions energy: -735.172
where: short stacking energy: -353.069
Base-Backbone interact. energy: 0.593
local terms energy: -451.937198
where:
bonds (distance) C4'-P energy: -134.535
bonds (distance) P-C4' energy: -95.916
flat angles C4'-P-C4' energy: -90.047
flat angles P-C4'-P energy: -80.373
tors. eta vs tors. theta energy: -51.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -913.847604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.847604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.847604 (E_RNA)
where:
Base-Base interactions energy: -493.302
where: short stacking energy: -257.647
Base-Backbone interact. energy: -0.725
local terms energy: -419.820039
where:
bonds (distance) C4'-P energy: -108.765
bonds (distance) P-C4' energy: -119.534
flat angles C4'-P-C4' energy: -87.004
flat angles P-C4'-P energy: -82.831
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2505.519713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.519713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.519713 (E_RNA)
where:
Base-Base interactions energy: -1706.927
where: short stacking energy: -728.814
Base-Backbone interact. energy: -4.080
local terms energy: -794.512210
where:
bonds (distance) C4'-P energy: -135.496
bonds (distance) P-C4' energy: -129.239
flat angles C4'-P-C4' energy: -173.948
flat angles P-C4'-P energy: -124.274
tors. eta vs tors. theta energy: -231.555
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: 199
Temperature: 0.950000
Total energy: -2443.857669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.857669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.857669 (E_RNA)
where:
Base-Base interactions energy: -1715.872
where: short stacking energy: -704.325
Base-Backbone interact. energy: -3.026
local terms energy: -724.960479
where:
bonds (distance) C4'-P energy: -122.394
bonds (distance) P-C4' energy: -140.894
flat angles C4'-P-C4' energy: -156.938
flat angles P-C4'-P energy: -102.309
tors. eta vs tors. theta energy: -202.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2385.283766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.283766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.283766 (E_RNA)
where:
Base-Base interactions energy: -1620.200
where: short stacking energy: -716.346
Base-Backbone interact. energy: -2.769
local terms energy: -762.315044
where:
bonds (distance) C4'-P energy: -126.092
bonds (distance) P-C4' energy: -149.092
flat angles C4'-P-C4' energy: -165.627
flat angles P-C4'-P energy: -110.280
tors. eta vs tors. theta energy: -211.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2165.669362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.669362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.669362 (E_RNA)
where:
Base-Base interactions energy: -1443.919
where: short stacking energy: -638.355
Base-Backbone interact. energy: -1.855
local terms energy: -719.895061
where:
bonds (distance) C4'-P energy: -142.384
bonds (distance) P-C4' energy: -134.434
flat angles C4'-P-C4' energy: -151.403
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: -199.748
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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2025.889796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.889796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.889796 (E_RNA)
where:
Base-Base interactions energy: -1371.270
where: short stacking energy: -609.287
Base-Backbone interact. energy: -4.408
local terms energy: -650.211158
where:
bonds (distance) C4'-P energy: -117.267
bonds (distance) P-C4' energy: -138.424
flat angles C4'-P-C4' energy: -136.398
flat angles P-C4'-P energy: -95.526
tors. eta vs tors. theta energy: -162.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1859.433434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.433434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.433434 (E_RNA)
where:
Base-Base interactions energy: -1247.301
where: short stacking energy: -539.523
Base-Backbone interact. energy: 3.129
local terms energy: -615.261352
where:
bonds (distance) C4'-P energy: -130.419
bonds (distance) P-C4' energy: -115.016
flat angles C4'-P-C4' energy: -116.224
flat angles P-C4'-P energy: -98.904
tors. eta vs tors. theta energy: -154.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1520.792596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.792596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.792596 (E_RNA)
where:
Base-Base interactions energy: -970.558
where: short stacking energy: -401.114
Base-Backbone interact. energy: -5.315
local terms energy: -544.919563
where:
bonds (distance) C4'-P energy: -139.521
bonds (distance) P-C4' energy: -132.176
flat angles C4'-P-C4' energy: -123.366
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -77.451
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: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1307.523801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.523801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.523801 (E_RNA)
where:
Base-Base interactions energy: -821.279
where: short stacking energy: -390.327
Base-Backbone interact. energy: -2.732
local terms energy: -483.513007
where:
bonds (distance) C4'-P energy: -113.596
bonds (distance) P-C4' energy: -130.838
flat angles C4'-P-C4' energy: -118.030
flat angles P-C4'-P energy: -65.937
tors. eta vs tors. theta energy: -55.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1175.669337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.669337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.669337 (E_RNA)
where:
Base-Base interactions energy: -704.233
where: short stacking energy: -332.293
Base-Backbone interact. energy: 2.625
local terms energy: -474.060730
where:
bonds (distance) C4'-P energy: -109.709
bonds (distance) P-C4' energy: -119.674
flat angles C4'-P-C4' energy: -113.009
flat angles P-C4'-P energy: -67.751
tors. eta vs tors. theta energy: -63.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -909.056632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.056632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.056632 (E_RNA)
where:
Base-Base interactions energy: -507.074
where: short stacking energy: -256.794
Base-Backbone interact. energy: 3.075
local terms energy: -405.057464
where:
bonds (distance) C4'-P energy: -99.317
bonds (distance) P-C4' energy: -123.548
flat angles C4'-P-C4' energy: -110.351
flat angles P-C4'-P energy: -50.156
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2520.192619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.192619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.192619 (E_RNA)
where:
Base-Base interactions energy: -1736.249
where: short stacking energy: -769.282
Base-Backbone interact. energy: -5.976
local terms energy: -777.967651
where:
bonds (distance) C4'-P energy: -121.274
bonds (distance) P-C4' energy: -151.841
flat angles C4'-P-C4' energy: -166.277
flat angles P-C4'-P energy: -107.937
tors. eta vs tors. theta energy: -230.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2406.596472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.596472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.596472 (E_RNA)
where:
Base-Base interactions energy: -1679.680
where: short stacking energy: -681.249
Base-Backbone interact. energy: -1.298
local terms energy: -725.618715
where:
bonds (distance) C4'-P energy: -141.404
bonds (distance) P-C4' energy: -139.319
flat angles C4'-P-C4' energy: -158.397
flat angles P-C4'-P energy: -86.407
tors. eta vs tors. theta energy: -200.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2388.552559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.552559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.552559 (E_RNA)
where:
Base-Base interactions energy: -1651.191
where: short stacking energy: -720.037
Base-Backbone interact. energy: -3.004
local terms energy: -734.357068
where:
bonds (distance) C4'-P energy: -129.813
bonds (distance) P-C4' energy: -141.623
flat angles C4'-P-C4' energy: -158.117
flat angles P-C4'-P energy: -100.511
tors. eta vs tors. theta energy: -204.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2200.551606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.551606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.551606 (E_RNA)
where:
Base-Base interactions energy: -1513.094
where: short stacking energy: -661.792
Base-Backbone interact. energy: -3.607
local terms energy: -683.850089
where:
bonds (distance) C4'-P energy: -115.765
bonds (distance) P-C4' energy: -126.267
flat angles C4'-P-C4' energy: -154.631
flat angles P-C4'-P energy: -97.856
tors. eta vs tors. theta energy: -189.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2066.876664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.876664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.876664 (E_RNA)
where:
Base-Base interactions energy: -1385.456
where: short stacking energy: -616.501
Base-Backbone interact. energy: -2.787
local terms energy: -678.634149
where:
bonds (distance) C4'-P energy: -120.618
bonds (distance) P-C4' energy: -125.921
flat angles C4'-P-C4' energy: -151.132
flat angles P-C4'-P energy: -101.993
tors. eta vs tors. theta energy: -178.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1869.829030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.829030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.829030 (E_RNA)
where:
Base-Base interactions energy: -1245.238
where: short stacking energy: -559.273
Base-Backbone interact. energy: -2.319
local terms energy: -622.272283
where:
bonds (distance) C4'-P energy: -113.056
bonds (distance) P-C4' energy: -143.056
flat angles C4'-P-C4' energy: -130.647
flat angles P-C4'-P energy: -85.832
tors. eta vs tors. theta energy: -149.681
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: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1592.173829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.173829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.173829 (E_RNA)
where:
Base-Base interactions energy: -1042.604
where: short stacking energy: -444.242
Base-Backbone interact. energy: -5.762
local terms energy: -543.807267
where:
bonds (distance) C4'-P energy: -102.484
bonds (distance) P-C4' energy: -126.317
flat angles C4'-P-C4' energy: -134.047
flat angles P-C4'-P energy: -79.978
tors. eta vs tors. theta energy: -100.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1204.075749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.075749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.075749 (E_RNA)
where:
Base-Base interactions energy: -711.023
where: short stacking energy: -335.234
Base-Backbone interact. energy: 2.772
local terms energy: -495.824798
where:
bonds (distance) C4'-P energy: -117.530
bonds (distance) P-C4' energy: -131.687
flat angles C4'-P-C4' energy: -111.558
flat angles P-C4'-P energy: -84.812
tors. eta vs tors. theta energy: -50.238
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: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1193.419944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.419944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.419944 (E_RNA)
where:
Base-Base interactions energy: -707.699
where: short stacking energy: -343.657
Base-Backbone interact. energy: 3.749
local terms energy: -489.470186
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -121.479
flat angles C4'-P-C4' energy: -111.041
flat angles P-C4'-P energy: -90.154
tors. eta vs tors. theta energy: -50.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -933.735307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.735307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.735307 (E_RNA)
where:
Base-Base interactions energy: -490.347
where: short stacking energy: -258.281
Base-Backbone interact. energy: -0.101
local terms energy: -443.287521
where:
bonds (distance) C4'-P energy: -110.251
bonds (distance) P-C4' energy: -115.903
flat angles C4'-P-C4' energy: -122.133
flat angles P-C4'-P energy: -69.402
tors. eta vs tors. theta energy: -25.598
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: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2491.096072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.096072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.096072 (E_RNA)
where:
Base-Base interactions energy: -1715.480
where: short stacking energy: -763.456
Base-Backbone interact. energy: -3.320
local terms energy: -772.296208
where:
bonds (distance) C4'-P energy: -144.759
bonds (distance) P-C4' energy: -133.349
flat angles C4'-P-C4' energy: -154.687
flat angles P-C4'-P energy: -114.014
tors. eta vs tors. theta energy: -225.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2415.051911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.051911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.051911 (E_RNA)
where:
Base-Base interactions energy: -1686.088
where: short stacking energy: -687.413
Base-Backbone interact. energy: -1.798
local terms energy: -727.165849
where:
bonds (distance) C4'-P energy: -138.711
bonds (distance) P-C4' energy: -144.756
flat angles C4'-P-C4' energy: -154.038
flat angles P-C4'-P energy: -104.376
tors. eta vs tors. theta energy: -185.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2360.097172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.097172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.097172 (E_RNA)
where:
Base-Base interactions energy: -1627.380
where: short stacking energy: -704.856
Base-Backbone interact. energy: 0.695
local terms energy: -733.412850
where:
bonds (distance) C4'-P energy: -122.537
bonds (distance) P-C4' energy: -135.558
flat angles C4'-P-C4' energy: -167.463
flat angles P-C4'-P energy: -92.355
tors. eta vs tors. theta energy: -215.500
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: 201
Temperature: 1.050000
Total energy: -2199.554904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.554904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.554904 (E_RNA)
where:
Base-Base interactions energy: -1517.972
where: short stacking energy: -664.398
Base-Backbone interact. energy: -0.714
local terms energy: -680.869213
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -137.295
flat angles C4'-P-C4' energy: -144.221
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -200.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2048.710993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.710993 (E_RNA)
where:
Base-Base interactions energy: -1349.686
where: short stacking energy: -636.286
Base-Backbone interact. energy: -1.997
local terms energy: -697.027527
where:
bonds (distance) C4'-P energy: -139.687
bonds (distance) P-C4' energy: -135.474
flat angles C4'-P-C4' energy: -151.015
flat angles P-C4'-P energy: -86.448
tors. eta vs tors. theta energy: -184.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1886.621436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.621436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.621436 (E_RNA)
where:
Base-Base interactions energy: -1288.839
where: short stacking energy: -579.542
Base-Backbone interact. energy: 3.340
local terms energy: -601.121822
where:
bonds (distance) C4'-P energy: -115.592
bonds (distance) P-C4' energy: -107.967
flat angles C4'-P-C4' energy: -128.176
flat angles P-C4'-P energy: -95.347
tors. eta vs tors. theta energy: -154.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1601.254213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.254213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.254213 (E_RNA)
where:
Base-Base interactions energy: -1054.720
where: short stacking energy: -485.145
Base-Backbone interact. energy: -3.942
local terms energy: -542.592637
where:
bonds (distance) C4'-P energy: -114.799
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -128.009
flat angles P-C4'-P energy: -86.267
tors. eta vs tors. theta energy: -108.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1264.960879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.960879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.960879 (E_RNA)
where:
Base-Base interactions energy: -789.491
where: short stacking energy: -361.470
Base-Backbone interact. energy: -2.003
local terms energy: -473.466426
where:
bonds (distance) C4'-P energy: -108.466
bonds (distance) P-C4' energy: -109.597
flat angles C4'-P-C4' energy: -123.311
flat angles P-C4'-P energy: -77.841
tors. eta vs tors. theta energy: -54.252
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: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1168.553314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.553314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.553314 (E_RNA)
where:
Base-Base interactions energy: -699.135
where: short stacking energy: -333.838
Base-Backbone interact. energy: -0.498
local terms energy: -468.919934
where:
bonds (distance) C4'-P energy: -124.491
bonds (distance) P-C4' energy: -117.265
flat angles C4'-P-C4' energy: -110.641
flat angles P-C4'-P energy: -67.441
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -933.897621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.897621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.897621 (E_RNA)
where:
Base-Base interactions energy: -521.225
where: short stacking energy: -259.053
Base-Backbone interact. energy: 0.351
local terms energy: -413.023593
where:
bonds (distance) C4'-P energy: -100.112
bonds (distance) P-C4' energy: -134.483
flat angles C4'-P-C4' energy: -113.657
flat angles P-C4'-P energy: -54.143
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2513.374872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.374872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.374872 (E_RNA)
where:
Base-Base interactions energy: -1704.483
where: short stacking energy: -750.282
Base-Backbone interact. energy: -2.269
local terms energy: -806.623087
where:
bonds (distance) C4'-P energy: -161.050
bonds (distance) P-C4' energy: -136.375
flat angles C4'-P-C4' energy: -168.834
flat angles P-C4'-P energy: -110.804
tors. eta vs tors. theta energy: -229.560
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: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2453.246921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.246921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.246921 (E_RNA)
where:
Base-Base interactions energy: -1718.984
where: short stacking energy: -698.551
Base-Backbone interact. energy: -0.986
local terms energy: -733.276804
where:
bonds (distance) C4'-P energy: -136.235
bonds (distance) P-C4' energy: -137.876
flat angles C4'-P-C4' energy: -152.245
flat angles P-C4'-P energy: -100.533
tors. eta vs tors. theta energy: -206.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2375.606390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.606390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.606390 (E_RNA)
where:
Base-Base interactions energy: -1619.289
where: short stacking energy: -702.685
Base-Backbone interact. energy: -1.939
local terms energy: -754.378239
where:
bonds (distance) C4'-P energy: -138.368
bonds (distance) P-C4' energy: -145.677
flat angles C4'-P-C4' energy: -150.869
flat angles P-C4'-P energy: -113.005
tors. eta vs tors. theta energy: -206.459
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: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2190.321809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.321809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.321809 (E_RNA)
where:
Base-Base interactions energy: -1503.207
where: short stacking energy: -671.219
Base-Backbone interact. energy: -0.092
local terms energy: -687.023465
where:
bonds (distance) C4'-P energy: -119.231
bonds (distance) P-C4' energy: -138.309
flat angles C4'-P-C4' energy: -147.760
flat angles P-C4'-P energy: -88.834
tors. eta vs tors. theta energy: -192.890
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2095.027649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.027649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.027649 (E_RNA)
where:
Base-Base interactions energy: -1378.763
where: short stacking energy: -634.604
Base-Backbone interact. energy: -3.023
local terms energy: -713.241308
where:
bonds (distance) C4'-P energy: -134.077
bonds (distance) P-C4' energy: -140.206
flat angles C4'-P-C4' energy: -150.159
flat angles P-C4'-P energy: -103.782
tors. eta vs tors. theta energy: -185.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1842.836641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.836641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.836641 (E_RNA)
where:
Base-Base interactions energy: -1243.848
where: short stacking energy: -551.301
Base-Backbone interact. energy: -1.432
local terms energy: -597.556538
where:
bonds (distance) C4'-P energy: -100.060
bonds (distance) P-C4' energy: -118.060
flat angles C4'-P-C4' energy: -148.779
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -149.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1564.525176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.525176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.525176 (E_RNA)
where:
Base-Base interactions energy: -1020.803
where: short stacking energy: -463.764
Base-Backbone interact. energy: -2.320
local terms energy: -541.402436
where:
bonds (distance) C4'-P energy: -123.199
bonds (distance) P-C4' energy: -121.784
flat angles C4'-P-C4' energy: -106.598
flat angles P-C4'-P energy: -94.826
tors. eta vs tors. theta energy: -94.996
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: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1370.202486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.202486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.202486 (E_RNA)
where:
Base-Base interactions energy: -851.012
where: short stacking energy: -395.258
Base-Backbone interact. energy: -0.804
local terms energy: -518.386435
where:
bonds (distance) C4'-P energy: -108.691
bonds (distance) P-C4' energy: -118.441
flat angles C4'-P-C4' energy: -116.024
flat angles P-C4'-P energy: -94.009
tors. eta vs tors. theta energy: -81.222
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: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1194.246988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.246988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.246988 (E_RNA)
where:
Base-Base interactions energy: -740.133
where: short stacking energy: -343.580
Base-Backbone interact. energy: -1.135
local terms energy: -452.979205
where:
bonds (distance) C4'-P energy: -112.276
bonds (distance) P-C4' energy: -106.594
flat angles C4'-P-C4' energy: -98.981
flat angles P-C4'-P energy: -83.974
tors. eta vs tors. theta energy: -51.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -910.478607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.478607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.478607 (E_RNA)
where:
Base-Base interactions energy: -500.133
where: short stacking energy: -254.106
Base-Backbone interact. energy: 1.197
local terms energy: -411.542046
where:
bonds (distance) C4'-P energy: -108.054
bonds (distance) P-C4' energy: -115.825
flat angles C4'-P-C4' energy: -101.853
flat angles P-C4'-P energy: -57.608
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2533.390311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.390311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.390311 (E_RNA)
where:
Base-Base interactions energy: -1741.241
where: short stacking energy: -789.315
Base-Backbone interact. energy: -0.534
local terms energy: -791.615682
where:
bonds (distance) C4'-P energy: -140.851
bonds (distance) P-C4' energy: -152.723
flat angles C4'-P-C4' energy: -164.594
flat angles P-C4'-P energy: -103.336
tors. eta vs tors. theta energy: -230.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2449.847850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.847850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.847850 (E_RNA)
where:
Base-Base interactions energy: -1720.512
where: short stacking energy: -688.163
Base-Backbone interact. energy: -5.683
local terms energy: -723.652923
where:
bonds (distance) C4'-P energy: -131.221
bonds (distance) P-C4' energy: -137.650
flat angles C4'-P-C4' energy: -166.799
flat angles P-C4'-P energy: -85.576
tors. eta vs tors. theta energy: -202.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2369.400368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.400368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.400368 (E_RNA)
where:
Base-Base interactions energy: -1660.921
where: short stacking energy: -690.861
Base-Backbone interact. energy: -2.779
local terms energy: -705.700280
where:
bonds (distance) C4'-P energy: -136.057
bonds (distance) P-C4' energy: -134.954
flat angles C4'-P-C4' energy: -140.088
flat angles P-C4'-P energy: -104.962
tors. eta vs tors. theta energy: -189.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2193.549953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.549953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.549953 (E_RNA)
where:
Base-Base interactions energy: -1509.943
where: short stacking energy: -654.019
Base-Backbone interact. energy: -2.784
local terms energy: -680.822317
where:
bonds (distance) C4'-P energy: -129.573
bonds (distance) P-C4' energy: -117.040
flat angles C4'-P-C4' energy: -156.081
flat angles P-C4'-P energy: -84.436
tors. eta vs tors. theta energy: -193.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2048.585805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.585805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.585805 (E_RNA)
where:
Base-Base interactions energy: -1397.701
where: short stacking energy: -624.243
Base-Backbone interact. energy: -3.349
local terms energy: -647.535270
where:
bonds (distance) C4'-P energy: -139.770
bonds (distance) P-C4' energy: -113.965
flat angles C4'-P-C4' energy: -137.948
flat angles P-C4'-P energy: -84.854
tors. eta vs tors. theta energy: -170.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1830.348392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.348392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.348392 (E_RNA)
where:
Base-Base interactions energy: -1263.592
where: short stacking energy: -582.539
Base-Backbone interact. energy: -2.454
local terms energy: -564.302897
where:
bonds (distance) C4'-P energy: -108.018
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -138.450
flat angles P-C4'-P energy: -69.687
tors. eta vs tors. theta energy: -138.340
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: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1537.566003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.566003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.566003 (E_RNA)
where:
Base-Base interactions energy: -992.003
where: short stacking energy: -450.216
Base-Backbone interact. energy: 2.499
local terms energy: -548.061283
where:
bonds (distance) C4'-P energy: -113.629
bonds (distance) P-C4' energy: -126.199
flat angles C4'-P-C4' energy: -124.894
flat angles P-C4'-P energy: -85.628
tors. eta vs tors. theta energy: -97.712
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: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1343.805246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.805246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.805246 (E_RNA)
where:
Base-Base interactions energy: -855.200
where: short stacking energy: -391.501
Base-Backbone interact. energy: -0.873
local terms energy: -487.733059
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -123.657
flat angles C4'-P-C4' energy: -120.498
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -65.931
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: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1204.981146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.981146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.981146 (E_RNA)
where:
Base-Base interactions energy: -761.257
where: short stacking energy: -380.833
Base-Backbone interact. energy: -0.980
local terms energy: -442.744955
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -108.510
flat angles C4'-P-C4' energy: -117.626
flat angles P-C4'-P energy: -54.259
tors. eta vs tors. theta energy: -60.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -904.653460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.653460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.653460 (E_RNA)
where:
Base-Base interactions energy: -488.072
where: short stacking energy: -238.465
Base-Backbone interact. energy: -1.556
local terms energy: -415.025094
where:
bonds (distance) C4'-P energy: -123.903
bonds (distance) P-C4' energy: -110.102
flat angles C4'-P-C4' energy: -103.501
flat angles P-C4'-P energy: -72.885
tors. eta vs tors. theta energy: -4.634
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: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2534.735139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.735139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.735139 (E_RNA)
where:
Base-Base interactions energy: -1740.768
where: short stacking energy: -760.697
Base-Backbone interact. energy: -4.436
local terms energy: -789.530908
where:
bonds (distance) C4'-P energy: -129.267
bonds (distance) P-C4' energy: -146.950
flat angles C4'-P-C4' energy: -163.072
flat angles P-C4'-P energy: -114.784
tors. eta vs tors. theta energy: -235.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2422.246540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.246540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.246540 (E_RNA)
where:
Base-Base interactions energy: -1710.854
where: short stacking energy: -727.099
Base-Backbone interact. energy: -1.752
local terms energy: -709.640664
where:
bonds (distance) C4'-P energy: -133.742
bonds (distance) P-C4' energy: -127.499
flat angles C4'-P-C4' energy: -157.541
flat angles P-C4'-P energy: -89.789
tors. eta vs tors. theta energy: -201.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2373.999706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.999706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.999706 (E_RNA)
where:
Base-Base interactions energy: -1656.243
where: short stacking energy: -713.107
Base-Backbone interact. energy: -1.208
local terms energy: -716.548450
where:
bonds (distance) C4'-P energy: -116.692
bonds (distance) P-C4' energy: -127.949
flat angles C4'-P-C4' energy: -161.253
flat angles P-C4'-P energy: -104.155
tors. eta vs tors. theta energy: -206.500
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: 204
Temperature: 1.050000
Total energy: -2204.272399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.272399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.272399 (E_RNA)
where:
Base-Base interactions energy: -1487.772
where: short stacking energy: -661.643
Base-Backbone interact. energy: -4.202
local terms energy: -712.298618
where:
bonds (distance) C4'-P energy: -130.212
bonds (distance) P-C4' energy: -133.279
flat angles C4'-P-C4' energy: -155.711
flat angles P-C4'-P energy: -111.150
tors. eta vs tors. theta energy: -181.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2057.679668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.679668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.679668 (E_RNA)
where:
Base-Base interactions energy: -1347.332
where: short stacking energy: -606.325
Base-Backbone interact. energy: -4.823
local terms energy: -705.524196
where:
bonds (distance) C4'-P energy: -136.158
bonds (distance) P-C4' energy: -142.641
flat angles C4'-P-C4' energy: -134.223
flat angles P-C4'-P energy: -109.210
tors. eta vs tors. theta energy: -183.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1901.406605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.406605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.406605 (E_RNA)
where:
Base-Base interactions energy: -1285.946
where: short stacking energy: -564.764
Base-Backbone interact. energy: -1.682
local terms energy: -613.778317
where:
bonds (distance) C4'-P energy: -122.092
bonds (distance) P-C4' energy: -118.720
flat angles C4'-P-C4' energy: -138.679
flat angles P-C4'-P energy: -88.550
tors. eta vs tors. theta energy: -145.737
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: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1507.735803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.735803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.735803 (E_RNA)
where:
Base-Base interactions energy: -987.164
where: short stacking energy: -462.581
Base-Backbone interact. energy: 4.607
local terms energy: -525.178891
where:
bonds (distance) C4'-P energy: -110.935
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -117.181
flat angles P-C4'-P energy: -80.965
tors. eta vs tors. theta energy: -96.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1406.977639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.977639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.977639 (E_RNA)
where:
Base-Base interactions energy: -867.684
where: short stacking energy: -405.776
Base-Backbone interact. energy: -1.833
local terms energy: -537.460684
where:
bonds (distance) C4'-P energy: -109.141
bonds (distance) P-C4' energy: -126.905
flat angles C4'-P-C4' energy: -118.858
flat angles P-C4'-P energy: -102.551
tors. eta vs tors. theta energy: -80.005
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: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1193.009724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.009724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.009724 (E_RNA)
where:
Base-Base interactions energy: -730.488
where: short stacking energy: -350.865
Base-Backbone interact. energy: 1.784
local terms energy: -464.305808
where:
bonds (distance) C4'-P energy: -108.641
bonds (distance) P-C4' energy: -119.296
flat angles C4'-P-C4' energy: -118.881
flat angles P-C4'-P energy: -64.952
tors. eta vs tors. theta energy: -52.536
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: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -927.415017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.415017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.415017 (E_RNA)
where:
Base-Base interactions energy: -556.839
where: short stacking energy: -270.473
Base-Backbone interact. energy: -2.760
local terms energy: -367.815878
where:
bonds (distance) C4'-P energy: -100.923
bonds (distance) P-C4' energy: -89.983
flat angles C4'-P-C4' energy: -116.684
flat angles P-C4'-P energy: -62.746
tors. eta vs tors. theta energy: 2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2535.039376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.039376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.039376 (E_RNA)
where:
Base-Base interactions energy: -1750.002
where: short stacking energy: -758.629
Base-Backbone interact. energy: -0.374
local terms energy: -784.663380
where:
bonds (distance) C4'-P energy: -143.919
bonds (distance) P-C4' energy: -147.349
flat angles C4'-P-C4' energy: -156.564
flat angles P-C4'-P energy: -96.988
tors. eta vs tors. theta energy: -239.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2429.806440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.806440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.806440 (E_RNA)
where:
Base-Base interactions energy: -1690.990
where: short stacking energy: -712.476
Base-Backbone interact. energy: -3.491
local terms energy: -735.326160
where:
bonds (distance) C4'-P energy: -137.117
bonds (distance) P-C4' energy: -122.124
flat angles C4'-P-C4' energy: -157.816
flat angles P-C4'-P energy: -111.975
tors. eta vs tors. theta energy: -206.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2371.136762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.136762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.136762 (E_RNA)
where:
Base-Base interactions energy: -1653.568
where: short stacking energy: -686.802
Base-Backbone interact. energy: -3.484
local terms energy: -714.084943
where:
bonds (distance) C4'-P energy: -115.851
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -146.988
flat angles P-C4'-P energy: -111.798
tors. eta vs tors. theta energy: -200.951
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: 205
Temperature: 1.050000
Total energy: -2180.580342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.580342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.580342 (E_RNA)
where:
Base-Base interactions energy: -1486.882
where: short stacking energy: -655.383
Base-Backbone interact. energy: -7.731
local terms energy: -685.967777
where:
bonds (distance) C4'-P energy: -125.708
bonds (distance) P-C4' energy: -134.735
flat angles C4'-P-C4' energy: -137.536
flat angles P-C4'-P energy: -97.448
tors. eta vs tors. theta energy: -190.541
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2028.987539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.987539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.987539 (E_RNA)
where:
Base-Base interactions energy: -1352.269
where: short stacking energy: -625.329
Base-Backbone interact. energy: -1.541
local terms energy: -675.177462
where:
bonds (distance) C4'-P energy: -125.464
bonds (distance) P-C4' energy: -130.277
flat angles C4'-P-C4' energy: -145.414
flat angles P-C4'-P energy: -96.444
tors. eta vs tors. theta energy: -177.578
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: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1912.172188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.172188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.172188 (E_RNA)
where:
Base-Base interactions energy: -1283.653
where: short stacking energy: -548.880
Base-Backbone interact. energy: 0.259
local terms energy: -628.777866
where:
bonds (distance) C4'-P energy: -124.060
bonds (distance) P-C4' energy: -130.976
flat angles C4'-P-C4' energy: -138.157
flat angles P-C4'-P energy: -82.901
tors. eta vs tors. theta energy: -152.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1538.632805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.632805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.632805 (E_RNA)
where:
Base-Base interactions energy: -1003.845
where: short stacking energy: -457.170
Base-Backbone interact. energy: 4.241
local terms energy: -539.029003
where:
bonds (distance) C4'-P energy: -99.810
bonds (distance) P-C4' energy: -136.944
flat angles C4'-P-C4' energy: -121.380
flat angles P-C4'-P energy: -76.927
tors. eta vs tors. theta energy: -103.967
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1297.080548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.080548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.080548 (E_RNA)
where:
Base-Base interactions energy: -827.642
where: short stacking energy: -399.774
Base-Backbone interact. energy: -1.096
local terms energy: -468.342532
where:
bonds (distance) C4'-P energy: -109.297
bonds (distance) P-C4' energy: -114.784
flat angles C4'-P-C4' energy: -99.558
flat angles P-C4'-P energy: -66.648
tors. eta vs tors. theta energy: -78.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1165.679838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.679838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.679838 (E_RNA)
where:
Base-Base interactions energy: -694.772
where: short stacking energy: -337.421
Base-Backbone interact. energy: 7.441
local terms energy: -478.348980
where:
bonds (distance) C4'-P energy: -109.122
bonds (distance) P-C4' energy: -122.648
flat angles C4'-P-C4' energy: -110.247
flat angles P-C4'-P energy: -72.520
tors. eta vs tors. theta energy: -63.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -895.369596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.369596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.369596 (E_RNA)
where:
Base-Base interactions energy: -503.511
where: short stacking energy: -255.145
Base-Backbone interact. energy: 8.828
local terms energy: -400.686352
where:
bonds (distance) C4'-P energy: -123.152
bonds (distance) P-C4' energy: -118.924
flat angles C4'-P-C4' energy: -88.307
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2510.504188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.504188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.504188 (E_RNA)
where:
Base-Base interactions energy: -1750.190
where: short stacking energy: -754.240
Base-Backbone interact. energy: 0.043
local terms energy: -760.356608
where:
bonds (distance) C4'-P energy: -131.920
bonds (distance) P-C4' energy: -147.761
flat angles C4'-P-C4' energy: -147.305
flat angles P-C4'-P energy: -112.607
tors. eta vs tors. theta energy: -220.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2418.230258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.230258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.230258 (E_RNA)
where:
Base-Base interactions energy: -1683.207
where: short stacking energy: -723.140
Base-Backbone interact. energy: -0.959
local terms energy: -734.064505
where:
bonds (distance) C4'-P energy: -137.335
bonds (distance) P-C4' energy: -134.804
flat angles C4'-P-C4' energy: -163.297
flat angles P-C4'-P energy: -97.355
tors. eta vs tors. theta energy: -201.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2339.894141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.894141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.894141 (E_RNA)
where:
Base-Base interactions energy: -1659.202
where: short stacking energy: -690.291
Base-Backbone interact. energy: -1.646
local terms energy: -679.045793
where:
bonds (distance) C4'-P energy: -134.628
bonds (distance) P-C4' energy: -130.993
flat angles C4'-P-C4' energy: -134.664
flat angles P-C4'-P energy: -88.369
tors. eta vs tors. theta energy: -190.392
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: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2189.657619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.657619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.657619 (E_RNA)
where:
Base-Base interactions energy: -1528.390
where: short stacking energy: -653.289
Base-Backbone interact. energy: -4.096
local terms energy: -657.171201
where:
bonds (distance) C4'-P energy: -118.337
bonds (distance) P-C4' energy: -141.062
flat angles C4'-P-C4' energy: -133.738
flat angles P-C4'-P energy: -83.265
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: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2063.429873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.429873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.429873 (E_RNA)
where:
Base-Base interactions energy: -1389.975
where: short stacking energy: -631.951
Base-Backbone interact. energy: -1.891
local terms energy: -671.564110
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -145.079
flat angles P-C4'-P energy: -94.084
tors. eta vs tors. theta energy: -177.203
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: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1934.601066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.601066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.601066 (E_RNA)
where:
Base-Base interactions energy: -1296.756
where: short stacking energy: -563.784
Base-Backbone interact. energy: -1.160
local terms energy: -636.685204
where:
bonds (distance) C4'-P energy: -144.315
bonds (distance) P-C4' energy: -101.355
flat angles C4'-P-C4' energy: -136.983
flat angles P-C4'-P energy: -90.846
tors. eta vs tors. theta energy: -163.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1574.062421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.062421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.062421 (E_RNA)
where:
Base-Base interactions energy: -1017.499
where: short stacking energy: -469.825
Base-Backbone interact. energy: -3.409
local terms energy: -553.154521
where:
bonds (distance) C4'-P energy: -109.238
bonds (distance) P-C4' energy: -109.964
flat angles C4'-P-C4' energy: -137.584
flat angles P-C4'-P energy: -84.708
tors. eta vs tors. theta energy: -111.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1273.731837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.731837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.731837 (E_RNA)
where:
Base-Base interactions energy: -813.571
where: short stacking energy: -403.458
Base-Backbone interact. energy: -3.458
local terms energy: -456.702878
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -103.626
flat angles C4'-P-C4' energy: -116.631
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -66.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1214.258187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.258187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.258187 (E_RNA)
where:
Base-Base interactions energy: -753.485
where: short stacking energy: -352.374
Base-Backbone interact. energy: -1.523
local terms energy: -459.250994
where:
bonds (distance) C4'-P energy: -115.705
bonds (distance) P-C4' energy: -121.794
flat angles C4'-P-C4' energy: -105.480
flat angles P-C4'-P energy: -56.986
tors. eta vs tors. theta energy: -59.286
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: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -900.129720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.129720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.129720 (E_RNA)
where:
Base-Base interactions energy: -508.959
where: short stacking energy: -251.544
Base-Backbone interact. energy: 6.416
local terms energy: -397.587114
where:
bonds (distance) C4'-P energy: -102.913
bonds (distance) P-C4' energy: -130.482
flat angles C4'-P-C4' energy: -97.102
flat angles P-C4'-P energy: -61.259
tors. eta vs tors. theta energy: -5.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2523.452902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.452902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.452902 (E_RNA)
where:
Base-Base interactions energy: -1733.633
where: short stacking energy: -766.800
Base-Backbone interact. energy: -2.128
local terms energy: -787.691452
where:
bonds (distance) C4'-P energy: -118.961
bonds (distance) P-C4' energy: -164.169
flat angles C4'-P-C4' energy: -166.095
flat angles P-C4'-P energy: -108.056
tors. eta vs tors. theta energy: -230.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2425.202498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.202498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.202498 (E_RNA)
where:
Base-Base interactions energy: -1689.305
where: short stacking energy: -715.861
Base-Backbone interact. energy: -1.592
local terms energy: -734.305274
where:
bonds (distance) C4'-P energy: -128.329
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -164.664
flat angles P-C4'-P energy: -101.933
tors. eta vs tors. theta energy: -212.158
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: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2341.719914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.719914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.719914 (E_RNA)
where:
Base-Base interactions energy: -1638.777
where: short stacking energy: -644.629
Base-Backbone interact. energy: -3.895
local terms energy: -699.047636
where:
bonds (distance) C4'-P energy: -128.384
bonds (distance) P-C4' energy: -150.289
flat angles C4'-P-C4' energy: -142.817
flat angles P-C4'-P energy: -86.793
tors. eta vs tors. theta energy: -190.764
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: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2189.807202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.807202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.807202 (E_RNA)
where:
Base-Base interactions energy: -1513.734
where: short stacking energy: -644.135
Base-Backbone interact. energy: -4.658
local terms energy: -671.414305
where:
bonds (distance) C4'-P energy: -114.800
bonds (distance) P-C4' energy: -110.228
flat angles C4'-P-C4' energy: -153.265
flat angles P-C4'-P energy: -99.141
tors. eta vs tors. theta energy: -193.980
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: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2087.097568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.097568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.097568 (E_RNA)
where:
Base-Base interactions energy: -1418.755
where: short stacking energy: -634.033
Base-Backbone interact. energy: -1.821
local terms energy: -666.521889
where:
bonds (distance) C4'-P energy: -129.540
bonds (distance) P-C4' energy: -123.144
flat angles C4'-P-C4' energy: -144.709
flat angles P-C4'-P energy: -95.488
tors. eta vs tors. theta energy: -173.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1922.441444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.441444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.441444 (E_RNA)
where:
Base-Base interactions energy: -1295.175
where: short stacking energy: -556.587
Base-Backbone interact. energy: 3.994
local terms energy: -631.259925
where:
bonds (distance) C4'-P energy: -116.994
bonds (distance) P-C4' energy: -135.312
flat angles C4'-P-C4' energy: -140.068
flat angles P-C4'-P energy: -92.552
tors. eta vs tors. theta energy: -146.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1546.810759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.810759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.810759 (E_RNA)
where:
Base-Base interactions energy: -983.782
where: short stacking energy: -463.380
Base-Backbone interact. energy: 0.893
local terms energy: -563.921933
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -130.133
flat angles C4'-P-C4' energy: -133.870
flat angles P-C4'-P energy: -82.206
tors. eta vs tors. theta energy: -108.691
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1227.955786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.955786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.955786 (E_RNA)
where:
Base-Base interactions energy: -740.147
where: short stacking energy: -343.825
Base-Backbone interact. energy: -1.133
local terms energy: -486.675526
where:
bonds (distance) C4'-P energy: -131.441
bonds (distance) P-C4' energy: -132.156
flat angles C4'-P-C4' energy: -125.412
flat angles P-C4'-P energy: -54.690
tors. eta vs tors. theta energy: -42.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1253.594595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.594595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.594595 (E_RNA)
where:
Base-Base interactions energy: -778.325
where: short stacking energy: -372.857
Base-Backbone interact. energy: 0.337
local terms energy: -475.605923
where:
bonds (distance) C4'-P energy: -100.342
bonds (distance) P-C4' energy: -120.044
flat angles C4'-P-C4' energy: -130.069
flat angles P-C4'-P energy: -71.752
tors. eta vs tors. theta energy: -53.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -908.472996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.472996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.472996 (E_RNA)
where:
Base-Base interactions energy: -486.451
where: short stacking energy: -244.580
Base-Backbone interact. energy: -1.187
local terms energy: -420.835293
where:
bonds (distance) C4'-P energy: -129.026
bonds (distance) P-C4' energy: -124.956
flat angles C4'-P-C4' energy: -95.098
flat angles P-C4'-P energy: -50.477
tors. eta vs tors. theta energy: -21.278
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: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2517.014443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.014443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.014443 (E_RNA)
where:
Base-Base interactions energy: -1725.124
where: short stacking energy: -746.025
Base-Backbone interact. energy: -4.765
local terms energy: -787.125732
where:
bonds (distance) C4'-P energy: -154.234
bonds (distance) P-C4' energy: -137.220
flat angles C4'-P-C4' energy: -169.570
flat angles P-C4'-P energy: -103.063
tors. eta vs tors. theta energy: -223.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2420.844203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.844203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.844203 (E_RNA)
where:
Base-Base interactions energy: -1676.970
where: short stacking energy: -722.715
Base-Backbone interact. energy: -1.177
local terms energy: -742.697824
where:
bonds (distance) C4'-P energy: -135.667
bonds (distance) P-C4' energy: -136.055
flat angles C4'-P-C4' energy: -165.593
flat angles P-C4'-P energy: -98.782
tors. eta vs tors. theta energy: -206.600
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2360.866033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.866033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.866033 (E_RNA)
where:
Base-Base interactions energy: -1660.447
where: short stacking energy: -664.193
Base-Backbone interact. energy: 0.676
local terms energy: -701.095586
where:
bonds (distance) C4'-P energy: -128.861
bonds (distance) P-C4' energy: -130.716
flat angles C4'-P-C4' energy: -149.901
flat angles P-C4'-P energy: -110.898
tors. eta vs tors. theta energy: -180.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2249.474302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.474302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.474302 (E_RNA)
where:
Base-Base interactions energy: -1508.028
where: short stacking energy: -671.816
Base-Backbone interact. energy: -0.269
local terms energy: -741.176801
where:
bonds (distance) C4'-P energy: -127.209
bonds (distance) P-C4' energy: -138.475
flat angles C4'-P-C4' energy: -152.147
flat angles P-C4'-P energy: -119.587
tors. eta vs tors. theta energy: -203.759
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: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2018.766865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.766865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.766865 (E_RNA)
where:
Base-Base interactions energy: -1338.982
where: short stacking energy: -593.761
Base-Backbone interact. energy: -1.897
local terms energy: -677.887880
where:
bonds (distance) C4'-P energy: -135.834
bonds (distance) P-C4' energy: -141.148
flat angles C4'-P-C4' energy: -140.953
flat angles P-C4'-P energy: -90.873
tors. eta vs tors. theta energy: -169.080
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: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1924.925146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.925146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.925146 (E_RNA)
where:
Base-Base interactions energy: -1304.592
where: short stacking energy: -566.850
Base-Backbone interact. energy: 2.763
local terms energy: -623.096640
where:
bonds (distance) C4'-P energy: -122.267
bonds (distance) P-C4' energy: -137.878
flat angles C4'-P-C4' energy: -128.228
flat angles P-C4'-P energy: -94.593
tors. eta vs tors. theta energy: -140.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1541.705057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.705057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.705057 (E_RNA)
where:
Base-Base interactions energy: -981.690
where: short stacking energy: -460.597
Base-Backbone interact. energy: -0.612
local terms energy: -559.402280
where:
bonds (distance) C4'-P energy: -118.627
bonds (distance) P-C4' energy: -126.069
flat angles C4'-P-C4' energy: -130.754
flat angles P-C4'-P energy: -79.477
tors. eta vs tors. theta energy: -104.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1249.461270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.461270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.461270 (E_RNA)
where:
Base-Base interactions energy: -777.294
where: short stacking energy: -367.498
Base-Backbone interact. energy: -3.100
local terms energy: -469.067890
where:
bonds (distance) C4'-P energy: -119.938
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -113.395
flat angles P-C4'-P energy: -63.132
tors. eta vs tors. theta energy: -65.451
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: 208
Temperature: 1.300000
Total energy: -1065.682987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.682987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.682987 (E_RNA)
where:
Base-Base interactions energy: -607.102
where: short stacking energy: -309.338
Base-Backbone interact. energy: -1.291
local terms energy: -457.289830
where:
bonds (distance) C4'-P energy: -113.015
bonds (distance) P-C4' energy: -125.618
flat angles C4'-P-C4' energy: -112.384
flat angles P-C4'-P energy: -66.841
tors. eta vs tors. theta energy: -39.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -921.378581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.378581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.378581 (E_RNA)
where:
Base-Base interactions energy: -503.430
where: short stacking energy: -251.001
Base-Backbone interact. energy: -1.387
local terms energy: -416.560700
where:
bonds (distance) C4'-P energy: -102.718
bonds (distance) P-C4' energy: -131.322
flat angles C4'-P-C4' energy: -103.106
flat angles P-C4'-P energy: -69.825
tors. eta vs tors. theta energy: -9.589
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: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2506.493015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.493015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.493015 (E_RNA)
where:
Base-Base interactions energy: -1716.796
where: short stacking energy: -765.385
Base-Backbone interact. energy: -2.007
local terms energy: -787.689452
where:
bonds (distance) C4'-P energy: -138.104
bonds (distance) P-C4' energy: -149.892
flat angles C4'-P-C4' energy: -159.594
flat angles P-C4'-P energy: -108.038
tors. eta vs tors. theta energy: -232.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2447.468031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.468031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.468031 (E_RNA)
where:
Base-Base interactions energy: -1703.180
where: short stacking energy: -723.390
Base-Backbone interact. energy: -7.492
local terms energy: -736.796023
where:
bonds (distance) C4'-P energy: -127.086
bonds (distance) P-C4' energy: -144.281
flat angles C4'-P-C4' energy: -149.158
flat angles P-C4'-P energy: -101.951
tors. eta vs tors. theta energy: -214.320
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2357.426628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.426628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.426628 (E_RNA)
where:
Base-Base interactions energy: -1645.866
where: short stacking energy: -698.460
Base-Backbone interact. energy: 3.991
local terms energy: -715.551140
where:
bonds (distance) C4'-P energy: -138.774
bonds (distance) P-C4' energy: -144.864
flat angles C4'-P-C4' energy: -158.566
flat angles P-C4'-P energy: -86.003
tors. eta vs tors. theta energy: -187.343
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: 209
Temperature: 1.050000
Total energy: -2168.887212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.887212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.887212 (E_RNA)
where:
Base-Base interactions energy: -1455.831
where: short stacking energy: -636.232
Base-Backbone interact. energy: -5.657
local terms energy: -707.399969
where:
bonds (distance) C4'-P energy: -124.462
bonds (distance) P-C4' energy: -130.972
flat angles C4'-P-C4' energy: -153.510
flat angles P-C4'-P energy: -103.347
tors. eta vs tors. theta energy: -195.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2047.745162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.745162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.745162 (E_RNA)
where:
Base-Base interactions energy: -1391.566
where: short stacking energy: -589.388
Base-Backbone interact. energy: -2.298
local terms energy: -653.881624
where:
bonds (distance) C4'-P energy: -130.939
bonds (distance) P-C4' energy: -129.277
flat angles C4'-P-C4' energy: -134.668
flat angles P-C4'-P energy: -97.035
tors. eta vs tors. theta energy: -161.964
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: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1978.115461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.115461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.115461 (E_RNA)
where:
Base-Base interactions energy: -1338.881
where: short stacking energy: -617.049
Base-Backbone interact. energy: 0.099
local terms energy: -639.333470
where:
bonds (distance) C4'-P energy: -117.393
bonds (distance) P-C4' energy: -119.918
flat angles C4'-P-C4' energy: -127.155
flat angles P-C4'-P energy: -104.287
tors. eta vs tors. theta energy: -170.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1480.524047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.524047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.524047 (E_RNA)
where:
Base-Base interactions energy: -949.789
where: short stacking energy: -452.548
Base-Backbone interact. energy: 4.036
local terms energy: -534.770442
where:
bonds (distance) C4'-P energy: -114.695
bonds (distance) P-C4' energy: -121.525
flat angles C4'-P-C4' energy: -139.983
flat angles P-C4'-P energy: -68.512
tors. eta vs tors. theta energy: -90.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1281.738013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.738013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.738013 (E_RNA)
where:
Base-Base interactions energy: -782.508
where: short stacking energy: -390.316
Base-Backbone interact. energy: 0.087
local terms energy: -499.317769
where:
bonds (distance) C4'-P energy: -116.927
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -121.535
flat angles P-C4'-P energy: -59.252
tors. eta vs tors. theta energy: -81.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1049.586011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.586011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.586011 (E_RNA)
where:
Base-Base interactions energy: -611.799
where: short stacking energy: -312.615
Base-Backbone interact. energy: 3.385
local terms energy: -441.171152
where:
bonds (distance) C4'-P energy: -103.044
bonds (distance) P-C4' energy: -109.869
flat angles C4'-P-C4' energy: -108.933
flat angles P-C4'-P energy: -72.406
tors. eta vs tors. theta energy: -46.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -896.481053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.481053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.481053 (E_RNA)
where:
Base-Base interactions energy: -493.402
where: short stacking energy: -243.278
Base-Backbone interact. energy: 0.519
local terms energy: -403.597600
where:
bonds (distance) C4'-P energy: -122.735
bonds (distance) P-C4' energy: -120.474
flat angles C4'-P-C4' energy: -87.777
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2512.044257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.044257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.044257 (E_RNA)
where:
Base-Base interactions energy: -1714.089
where: short stacking energy: -764.397
Base-Backbone interact. energy: -3.127
local terms energy: -794.828484
where:
bonds (distance) C4'-P energy: -136.711
bonds (distance) P-C4' energy: -148.798
flat angles C4'-P-C4' energy: -157.303
flat angles P-C4'-P energy: -116.865
tors. eta vs tors. theta energy: -235.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2443.924899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.924899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.924899 (E_RNA)
where:
Base-Base interactions energy: -1705.653
where: short stacking energy: -717.276
Base-Backbone interact. energy: -2.582
local terms energy: -735.690199
where:
bonds (distance) C4'-P energy: -123.086
bonds (distance) P-C4' energy: -141.632
flat angles C4'-P-C4' energy: -158.507
flat angles P-C4'-P energy: -98.913
tors. eta vs tors. theta energy: -213.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2385.665894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.665894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.665894 (E_RNA)
where:
Base-Base interactions energy: -1651.976
where: short stacking energy: -670.725
Base-Backbone interact. energy: -1.705
local terms energy: -731.984977
where:
bonds (distance) C4'-P energy: -133.206
bonds (distance) P-C4' energy: -139.821
flat angles C4'-P-C4' energy: -157.165
flat angles P-C4'-P energy: -101.709
tors. eta vs tors. theta energy: -200.085
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: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2210.559965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.559965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.559965 (E_RNA)
where:
Base-Base interactions energy: -1520.345
where: short stacking energy: -640.813
Base-Backbone interact. energy: 6.167
local terms energy: -696.382209
where:
bonds (distance) C4'-P energy: -133.308
bonds (distance) P-C4' energy: -124.786
flat angles C4'-P-C4' energy: -144.739
flat angles P-C4'-P energy: -99.890
tors. eta vs tors. theta energy: -193.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2023.723697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.723697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.723697 (E_RNA)
where:
Base-Base interactions energy: -1389.555
where: short stacking energy: -618.604
Base-Backbone interact. energy: -3.167
local terms energy: -631.001020
where:
bonds (distance) C4'-P energy: -125.883
bonds (distance) P-C4' energy: -117.692
flat angles C4'-P-C4' energy: -123.441
flat angles P-C4'-P energy: -101.984
tors. eta vs tors. theta energy: -162.001
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: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1974.693909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.693909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.693909 (E_RNA)
where:
Base-Base interactions energy: -1305.422
where: short stacking energy: -585.114
Base-Backbone interact. energy: 0.442
local terms energy: -669.713531
where:
bonds (distance) C4'-P energy: -142.650
bonds (distance) P-C4' energy: -122.623
flat angles C4'-P-C4' energy: -145.264
flat angles P-C4'-P energy: -95.140
tors. eta vs tors. theta energy: -164.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1520.632826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.632826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.632826 (E_RNA)
where:
Base-Base interactions energy: -976.574
where: short stacking energy: -453.268
Base-Backbone interact. energy: -4.757
local terms energy: -539.302100
where:
bonds (distance) C4'-P energy: -107.237
bonds (distance) P-C4' energy: -127.371
flat angles C4'-P-C4' energy: -137.523
flat angles P-C4'-P energy: -70.212
tors. eta vs tors. theta energy: -96.959
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: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1257.046093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.046093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.046093 (E_RNA)
where:
Base-Base interactions energy: -764.898
where: short stacking energy: -376.265
Base-Backbone interact. energy: 0.417
local terms energy: -492.565406
where:
bonds (distance) C4'-P energy: -111.357
bonds (distance) P-C4' energy: -124.280
flat angles C4'-P-C4' energy: -113.583
flat angles P-C4'-P energy: -77.421
tors. eta vs tors. theta energy: -65.924
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: 210
Temperature: 1.300000
Total energy: -1143.626936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.626936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.626936 (E_RNA)
where:
Base-Base interactions energy: -674.918
where: short stacking energy: -318.219
Base-Backbone interact. energy: -0.196
local terms energy: -468.513281
where:
bonds (distance) C4'-P energy: -118.693
bonds (distance) P-C4' energy: -126.111
flat angles C4'-P-C4' energy: -102.570
flat angles P-C4'-P energy: -73.688
tors. eta vs tors. theta energy: -47.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -859.764185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.764185 (E_RNA)
where:
Base-Base interactions energy: -489.376
where: short stacking energy: -244.168
Base-Backbone interact. energy: 1.798
local terms energy: -372.186009
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -124.228
flat angles C4'-P-C4' energy: -98.979
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2516.826584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.826584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.826584 (E_RNA)
where:
Base-Base interactions energy: -1737.324
where: short stacking energy: -773.044
Base-Backbone interact. energy: -0.182
local terms energy: -779.320471
where:
bonds (distance) C4'-P energy: -144.844
bonds (distance) P-C4' energy: -135.862
flat angles C4'-P-C4' energy: -164.622
flat angles P-C4'-P energy: -100.519
tors. eta vs tors. theta energy: -233.473
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: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2459.210796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.210796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.210796 (E_RNA)
where:
Base-Base interactions energy: -1705.570
where: short stacking energy: -718.524
Base-Backbone interact. energy: -1.138
local terms energy: -752.502500
where:
bonds (distance) C4'-P energy: -130.822
bonds (distance) P-C4' energy: -146.081
flat angles C4'-P-C4' energy: -164.360
flat angles P-C4'-P energy: -106.796
tors. eta vs tors. theta energy: -204.444
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: 211
Temperature: 1.000000
Total energy: -2330.101815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.101815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.101815 (E_RNA)
where:
Base-Base interactions energy: -1623.946
where: short stacking energy: -681.874
Base-Backbone interact. energy: -0.725
local terms energy: -705.430562
where:
bonds (distance) C4'-P energy: -130.929
bonds (distance) P-C4' energy: -143.896
flat angles C4'-P-C4' energy: -154.508
flat angles P-C4'-P energy: -86.378
tors. eta vs tors. theta energy: -189.719
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: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2212.365851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.365851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.365851 (E_RNA)
where:
Base-Base interactions energy: -1522.029
where: short stacking energy: -677.633
Base-Backbone interact. energy: 2.473
local terms energy: -692.810373
where:
bonds (distance) C4'-P energy: -110.685
bonds (distance) P-C4' energy: -125.887
flat angles C4'-P-C4' energy: -148.601
flat angles P-C4'-P energy: -94.408
tors. eta vs tors. theta energy: -213.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1990.432309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.432309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.432309 (E_RNA)
where:
Base-Base interactions energy: -1375.278
where: short stacking energy: -592.106
Base-Backbone interact. energy: -3.068
local terms energy: -612.086269
where:
bonds (distance) C4'-P energy: -114.469
bonds (distance) P-C4' energy: -126.081
flat angles C4'-P-C4' energy: -139.110
flat angles P-C4'-P energy: -84.465
tors. eta vs tors. theta energy: -147.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1943.178756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.178756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.178756 (E_RNA)
where:
Base-Base interactions energy: -1308.727
where: short stacking energy: -571.232
Base-Backbone interact. energy: -0.345
local terms energy: -634.106245
where:
bonds (distance) C4'-P energy: -106.725
bonds (distance) P-C4' energy: -131.662
flat angles C4'-P-C4' energy: -139.310
flat angles P-C4'-P energy: -96.802
tors. eta vs tors. theta energy: -159.607
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: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1611.508693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.508693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.508693 (E_RNA)
where:
Base-Base interactions energy: -1057.410
where: short stacking energy: -445.354
Base-Backbone interact. energy: -0.977
local terms energy: -553.121172
where:
bonds (distance) C4'-P energy: -104.297
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -146.040
flat angles P-C4'-P energy: -66.931
tors. eta vs tors. theta energy: -109.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1275.467543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.467543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.467543 (E_RNA)
where:
Base-Base interactions energy: -773.458
where: short stacking energy: -377.733
Base-Backbone interact. energy: -1.761
local terms energy: -500.249398
where:
bonds (distance) C4'-P energy: -117.258
bonds (distance) P-C4' energy: -121.915
flat angles C4'-P-C4' energy: -105.994
flat angles P-C4'-P energy: -81.668
tors. eta vs tors. theta energy: -73.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1094.792637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.792637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.792637 (E_RNA)
where:
Base-Base interactions energy: -656.314
where: short stacking energy: -290.137
Base-Backbone interact. energy: 8.721
local terms energy: -447.199155
where:
bonds (distance) C4'-P energy: -104.361
bonds (distance) P-C4' energy: -139.517
flat angles C4'-P-C4' energy: -118.234
flat angles P-C4'-P energy: -67.203
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -904.621744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.621744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.621744 (E_RNA)
where:
Base-Base interactions energy: -524.120
where: short stacking energy: -265.056
Base-Backbone interact. energy: -0.950
local terms energy: -379.551838
where:
bonds (distance) C4'-P energy: -106.372
bonds (distance) P-C4' energy: -99.232
flat angles C4'-P-C4' energy: -103.765
flat angles P-C4'-P energy: -46.186
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2536.260098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.260098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.260098 (E_RNA)
where:
Base-Base interactions energy: -1749.756
where: short stacking energy: -760.450
Base-Backbone interact. energy: -1.432
local terms energy: -785.071516
where:
bonds (distance) C4'-P energy: -137.349
bonds (distance) P-C4' energy: -136.867
flat angles C4'-P-C4' energy: -162.885
flat angles P-C4'-P energy: -120.062
tors. eta vs tors. theta energy: -227.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2430.548746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.548746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.548746 (E_RNA)
where:
Base-Base interactions energy: -1682.511
where: short stacking energy: -718.012
Base-Backbone interact. energy: -2.827
local terms energy: -745.211009
where:
bonds (distance) C4'-P energy: -130.292
bonds (distance) P-C4' energy: -146.739
flat angles C4'-P-C4' energy: -157.219
flat angles P-C4'-P energy: -109.348
tors. eta vs tors. theta energy: -201.613
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: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2359.169520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.169520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.169520 (E_RNA)
where:
Base-Base interactions energy: -1637.145
where: short stacking energy: -673.010
Base-Backbone interact. energy: -2.884
local terms energy: -719.140028
where:
bonds (distance) C4'-P energy: -137.409
bonds (distance) P-C4' energy: -148.904
flat angles C4'-P-C4' energy: -153.929
flat angles P-C4'-P energy: -91.166
tors. eta vs tors. theta energy: -187.731
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: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2234.414712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.414712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.414712 (E_RNA)
where:
Base-Base interactions energy: -1534.967
where: short stacking energy: -648.452
Base-Backbone interact. energy: 3.503
local terms energy: -702.950210
where:
bonds (distance) C4'-P energy: -105.568
bonds (distance) P-C4' energy: -140.242
flat angles C4'-P-C4' energy: -150.177
flat angles P-C4'-P energy: -109.427
tors. eta vs tors. theta energy: -197.536
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: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1975.673639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.673639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.673639 (E_RNA)
where:
Base-Base interactions energy: -1327.052
where: short stacking energy: -604.285
Base-Backbone interact. energy: 0.581
local terms energy: -649.202410
where:
bonds (distance) C4'-P energy: -111.061
bonds (distance) P-C4' energy: -137.996
flat angles C4'-P-C4' energy: -140.158
flat angles P-C4'-P energy: -96.911
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: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1947.221712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.221712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.221712 (E_RNA)
where:
Base-Base interactions energy: -1297.414
where: short stacking energy: -588.103
Base-Backbone interact. energy: -2.753
local terms energy: -647.055500
where:
bonds (distance) C4'-P energy: -114.015
bonds (distance) P-C4' energy: -128.129
flat angles C4'-P-C4' energy: -144.880
flat angles P-C4'-P energy: -93.136
tors. eta vs tors. theta energy: -166.896
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: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1559.482572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.482572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.482572 (E_RNA)
where:
Base-Base interactions energy: -1018.170
where: short stacking energy: -439.912
Base-Backbone interact. energy: 2.363
local terms energy: -543.675373
where:
bonds (distance) C4'-P energy: -101.211
bonds (distance) P-C4' energy: -121.827
flat angles C4'-P-C4' energy: -120.180
flat angles P-C4'-P energy: -92.401
tors. eta vs tors. theta energy: -108.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1331.841298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.841298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.841298 (E_RNA)
where:
Base-Base interactions energy: -856.092
where: short stacking energy: -415.016
Base-Backbone interact. energy: -2.097
local terms energy: -473.651870
where:
bonds (distance) C4'-P energy: -98.689
bonds (distance) P-C4' energy: -125.890
flat angles C4'-P-C4' energy: -114.418
flat angles P-C4'-P energy: -57.245
tors. eta vs tors. theta energy: -77.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1056.950287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.950287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.950287 (E_RNA)
where:
Base-Base interactions energy: -641.649
where: short stacking energy: -305.259
Base-Backbone interact. energy: 5.781
local terms energy: -421.082770
where:
bonds (distance) C4'-P energy: -130.408
bonds (distance) P-C4' energy: -115.489
flat angles C4'-P-C4' energy: -82.211
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: -34.387
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: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -905.038258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.038258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.038258 (E_RNA)
where:
Base-Base interactions energy: -501.767
where: short stacking energy: -263.009
Base-Backbone interact. energy: -1.980
local terms energy: -401.291398
where:
bonds (distance) C4'-P energy: -104.554
bonds (distance) P-C4' energy: -107.277
flat angles C4'-P-C4' energy: -119.313
flat angles P-C4'-P energy: -64.726
tors. eta vs tors. theta energy: -5.421
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: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2536.581689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.581689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.581689 (E_RNA)
where:
Base-Base interactions energy: -1731.079
where: short stacking energy: -781.919
Base-Backbone interact. energy: -4.620
local terms energy: -800.882122
where:
bonds (distance) C4'-P energy: -136.416
bonds (distance) P-C4' energy: -158.836
flat angles C4'-P-C4' energy: -162.961
flat angles P-C4'-P energy: -114.584
tors. eta vs tors. theta energy: -228.086
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: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2418.379128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.379128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.379128 (E_RNA)
where:
Base-Base interactions energy: -1680.530
where: short stacking energy: -721.234
Base-Backbone interact. energy: -1.424
local terms energy: -736.425652
where:
bonds (distance) C4'-P energy: -128.325
bonds (distance) P-C4' energy: -132.025
flat angles C4'-P-C4' energy: -158.447
flat angles P-C4'-P energy: -104.659
tors. eta vs tors. theta energy: -212.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2343.446976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.446976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.446976 (E_RNA)
where:
Base-Base interactions energy: -1629.267
where: short stacking energy: -669.164
Base-Backbone interact. energy: -7.392
local terms energy: -706.787443
where:
bonds (distance) C4'-P energy: -124.377
bonds (distance) P-C4' energy: -133.452
flat angles C4'-P-C4' energy: -160.477
flat angles P-C4'-P energy: -100.312
tors. eta vs tors. theta energy: -188.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2241.137118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.137118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.137118 (E_RNA)
where:
Base-Base interactions energy: -1526.628
where: short stacking energy: -671.001
Base-Backbone interact. energy: -1.896
local terms energy: -712.612974
where:
bonds (distance) C4'-P energy: -124.575
bonds (distance) P-C4' energy: -132.178
flat angles C4'-P-C4' energy: -155.935
flat angles P-C4'-P energy: -101.898
tors. eta vs tors. theta energy: -198.028
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: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1966.260761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.260761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.260761 (E_RNA)
where:
Base-Base interactions energy: -1289.301
where: short stacking energy: -606.378
Base-Backbone interact. energy: -0.654
local terms energy: -676.306288
where:
bonds (distance) C4'-P energy: -127.663
bonds (distance) P-C4' energy: -126.593
flat angles C4'-P-C4' energy: -138.692
flat angles P-C4'-P energy: -98.190
tors. eta vs tors. theta energy: -185.169
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: 213
Temperature: 1.150000
Total energy: -1910.838053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.838053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.838053 (E_RNA)
where:
Base-Base interactions energy: -1287.771
where: short stacking energy: -552.940
Base-Backbone interact. energy: -0.984
local terms energy: -622.082841
where:
bonds (distance) C4'-P energy: -117.616
bonds (distance) P-C4' energy: -121.732
flat angles C4'-P-C4' energy: -134.538
flat angles P-C4'-P energy: -96.102
tors. eta vs tors. theta energy: -152.095
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1550.811804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.811804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.811804 (E_RNA)
where:
Base-Base interactions energy: -1005.254
where: short stacking energy: -454.421
Base-Backbone interact. energy: -2.630
local terms energy: -542.927815
where:
bonds (distance) C4'-P energy: -105.206
bonds (distance) P-C4' energy: -134.741
flat angles C4'-P-C4' energy: -129.173
flat angles P-C4'-P energy: -77.470
tors. eta vs tors. theta energy: -96.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1293.156340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.156340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.156340 (E_RNA)
where:
Base-Base interactions energy: -838.797
where: short stacking energy: -396.279
Base-Backbone interact. energy: -1.698
local terms energy: -452.661510
where:
bonds (distance) C4'-P energy: -107.357
bonds (distance) P-C4' energy: -120.905
flat angles C4'-P-C4' energy: -109.621
flat angles P-C4'-P energy: -60.617
tors. eta vs tors. theta energy: -54.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1063.797682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.797682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.797682 (E_RNA)
where:
Base-Base interactions energy: -598.151
where: short stacking energy: -289.136
Base-Backbone interact. energy: 1.511
local terms energy: -467.157668
where:
bonds (distance) C4'-P energy: -121.714
bonds (distance) P-C4' energy: -135.673
flat angles C4'-P-C4' energy: -97.671
flat angles P-C4'-P energy: -55.214
tors. eta vs tors. theta energy: -56.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -927.088134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.088134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.088134 (E_RNA)
where:
Base-Base interactions energy: -540.340
where: short stacking energy: -277.981
Base-Backbone interact. energy: -4.258
local terms energy: -382.490191
where:
bonds (distance) C4'-P energy: -108.562
bonds (distance) P-C4' energy: -124.357
flat angles C4'-P-C4' energy: -85.145
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2535.656067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.656067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.656067 (E_RNA)
where:
Base-Base interactions energy: -1747.716
where: short stacking energy: -735.753
Base-Backbone interact. energy: -0.666
local terms energy: -787.273738
where:
bonds (distance) C4'-P energy: -136.699
bonds (distance) P-C4' energy: -152.967
flat angles C4'-P-C4' energy: -166.359
flat angles P-C4'-P energy: -112.002
tors. eta vs tors. theta energy: -219.247
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: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2440.326284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.326284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.326284 (E_RNA)
where:
Base-Base interactions energy: -1687.190
where: short stacking energy: -757.196
Base-Backbone interact. energy: -6.362
local terms energy: -746.774634
where:
bonds (distance) C4'-P energy: -135.400
bonds (distance) P-C4' energy: -135.803
flat angles C4'-P-C4' energy: -154.709
flat angles P-C4'-P energy: -91.799
tors. eta vs tors. theta energy: -229.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2338.525764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.525764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.525764 (E_RNA)
where:
Base-Base interactions energy: -1633.541
where: short stacking energy: -676.851
Base-Backbone interact. energy: -6.052
local terms energy: -698.933258
where:
bonds (distance) C4'-P energy: -125.966
bonds (distance) P-C4' energy: -135.972
flat angles C4'-P-C4' energy: -157.476
flat angles P-C4'-P energy: -108.684
tors. eta vs tors. theta energy: -170.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2178.757318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.757318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.757318 (E_RNA)
where:
Base-Base interactions energy: -1478.993
where: short stacking energy: -634.076
Base-Backbone interact. energy: 1.498
local terms energy: -701.262454
where:
bonds (distance) C4'-P energy: -121.506
bonds (distance) P-C4' energy: -138.862
flat angles C4'-P-C4' energy: -160.585
flat angles P-C4'-P energy: -108.999
tors. eta vs tors. theta energy: -171.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2055.226684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.226684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.226684 (E_RNA)
where:
Base-Base interactions energy: -1401.398
where: short stacking energy: -603.019
Base-Backbone interact. energy: 0.084
local terms energy: -653.912024
where:
bonds (distance) C4'-P energy: -111.651
bonds (distance) P-C4' energy: -150.352
flat angles C4'-P-C4' energy: -146.271
flat angles P-C4'-P energy: -79.685
tors. eta vs tors. theta energy: -165.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1884.353786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.353786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.353786 (E_RNA)
where:
Base-Base interactions energy: -1259.027
where: short stacking energy: -573.792
Base-Backbone interact. energy: -1.749
local terms energy: -623.577948
where:
bonds (distance) C4'-P energy: -110.810
bonds (distance) P-C4' energy: -114.308
flat angles C4'-P-C4' energy: -152.812
flat angles P-C4'-P energy: -92.117
tors. eta vs tors. theta energy: -153.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1567.111771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.111771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.111771 (E_RNA)
where:
Base-Base interactions energy: -1003.637
where: short stacking energy: -473.800
Base-Backbone interact. energy: -2.535
local terms energy: -560.939667
where:
bonds (distance) C4'-P energy: -126.785
bonds (distance) P-C4' energy: -129.107
flat angles C4'-P-C4' energy: -127.950
flat angles P-C4'-P energy: -81.552
tors. eta vs tors. theta energy: -95.545
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: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1350.051005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.051005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.051005 (E_RNA)
where:
Base-Base interactions energy: -850.201
where: short stacking energy: -409.413
Base-Backbone interact. energy: -1.787
local terms energy: -498.062800
where:
bonds (distance) C4'-P energy: -116.085
bonds (distance) P-C4' energy: -116.222
flat angles C4'-P-C4' energy: -108.357
flat angles P-C4'-P energy: -70.192
tors. eta vs tors. theta energy: -87.207
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: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1062.695956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.695956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.695956 (E_RNA)
where:
Base-Base interactions energy: -617.955
where: short stacking energy: -290.434
Base-Backbone interact. energy: -3.317
local terms energy: -441.423486
where:
bonds (distance) C4'-P energy: -114.688
bonds (distance) P-C4' energy: -99.959
flat angles C4'-P-C4' energy: -120.352
flat angles P-C4'-P energy: -69.899
tors. eta vs tors. theta energy: -36.526
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -898.308581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.308581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.308581 (E_RNA)
where:
Base-Base interactions energy: -502.336
where: short stacking energy: -253.905
Base-Backbone interact. energy: 7.385
local terms energy: -403.357065
where:
bonds (distance) C4'-P energy: -121.072
bonds (distance) P-C4' energy: -114.776
flat angles C4'-P-C4' energy: -86.911
flat angles P-C4'-P energy: -69.490
tors. eta vs tors. theta energy: -11.108
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: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2512.295687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.295687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.295687 (E_RNA)
where:
Base-Base interactions energy: -1739.850
where: short stacking energy: -723.862
Base-Backbone interact. energy: -1.341
local terms energy: -771.104843
where:
bonds (distance) C4'-P energy: -140.550
bonds (distance) P-C4' energy: -141.864
flat angles C4'-P-C4' energy: -156.703
flat angles P-C4'-P energy: -117.143
tors. eta vs tors. theta energy: -214.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2460.131781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.131781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.131781 (E_RNA)
where:
Base-Base interactions energy: -1696.987
where: short stacking energy: -771.603
Base-Backbone interact. energy: 1.415
local terms energy: -764.560263
where:
bonds (distance) C4'-P energy: -126.930
bonds (distance) P-C4' energy: -135.723
flat angles C4'-P-C4' energy: -161.898
flat angles P-C4'-P energy: -109.636
tors. eta vs tors. theta energy: -230.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2348.380997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.380997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.380997 (E_RNA)
where:
Base-Base interactions energy: -1650.327
where: short stacking energy: -683.664
Base-Backbone interact. energy: -5.290
local terms energy: -692.764462
where:
bonds (distance) C4'-P energy: -132.482
bonds (distance) P-C4' energy: -135.029
flat angles C4'-P-C4' energy: -143.025
flat angles P-C4'-P energy: -97.725
tors. eta vs tors. theta energy: -184.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2230.923832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.923832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.923832 (E_RNA)
where:
Base-Base interactions energy: -1527.659
where: short stacking energy: -649.183
Base-Backbone interact. energy: -2.363
local terms energy: -700.901856
where:
bonds (distance) C4'-P energy: -134.614
bonds (distance) P-C4' energy: -129.482
flat angles C4'-P-C4' energy: -156.534
flat angles P-C4'-P energy: -102.693
tors. eta vs tors. theta energy: -177.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2040.976300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.976300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.976300 (E_RNA)
where:
Base-Base interactions energy: -1420.853
where: short stacking energy: -628.993
Base-Backbone interact. energy: 3.309
local terms energy: -623.432385
where:
bonds (distance) C4'-P energy: -123.552
bonds (distance) P-C4' energy: -114.278
flat angles C4'-P-C4' energy: -147.546
flat angles P-C4'-P energy: -75.545
tors. eta vs tors. theta energy: -162.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1895.810547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.810547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.810547 (E_RNA)
where:
Base-Base interactions energy: -1285.794
where: short stacking energy: -576.524
Base-Backbone interact. energy: -4.213
local terms energy: -605.802957
where:
bonds (distance) C4'-P energy: -112.542
bonds (distance) P-C4' energy: -115.408
flat angles C4'-P-C4' energy: -134.456
flat angles P-C4'-P energy: -80.961
tors. eta vs tors. theta energy: -162.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1573.954264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.954264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.954264 (E_RNA)
where:
Base-Base interactions energy: -1026.639
where: short stacking energy: -483.831
Base-Backbone interact. energy: -2.436
local terms energy: -544.879286
where:
bonds (distance) C4'-P energy: -103.988
bonds (distance) P-C4' energy: -119.853
flat angles C4'-P-C4' energy: -119.611
flat angles P-C4'-P energy: -88.863
tors. eta vs tors. theta energy: -112.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1323.597611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.597611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.597611 (E_RNA)
where:
Base-Base interactions energy: -813.031
where: short stacking energy: -396.534
Base-Backbone interact. energy: -4.856
local terms energy: -505.710145
where:
bonds (distance) C4'-P energy: -111.601
bonds (distance) P-C4' energy: -113.113
flat angles C4'-P-C4' energy: -100.807
flat angles P-C4'-P energy: -91.924
tors. eta vs tors. theta energy: -88.265
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: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1067.395525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.395525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.395525 (E_RNA)
where:
Base-Base interactions energy: -626.340
where: short stacking energy: -320.560
Base-Backbone interact. energy: -2.064
local terms energy: -438.990787
where:
bonds (distance) C4'-P energy: -109.210
bonds (distance) P-C4' energy: -115.678
flat angles C4'-P-C4' energy: -113.848
flat angles P-C4'-P energy: -66.405
tors. eta vs tors. theta energy: -33.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -880.474036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.474036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.474036 (E_RNA)
where:
Base-Base interactions energy: -490.663
where: short stacking energy: -236.476
Base-Backbone interact. energy: -1.874
local terms energy: -387.937151
where:
bonds (distance) C4'-P energy: -108.315
bonds (distance) P-C4' energy: -112.476
flat angles C4'-P-C4' energy: -114.613
flat angles P-C4'-P energy: -61.263
tors. eta vs tors. theta energy: 8.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2508.710505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.710505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.710505 (E_RNA)
where:
Base-Base interactions energy: -1725.992
where: short stacking energy: -767.476
Base-Backbone interact. energy: 0.124
local terms energy: -782.842712
where:
bonds (distance) C4'-P energy: -128.873
bonds (distance) P-C4' energy: -149.601
flat angles C4'-P-C4' energy: -163.441
flat angles P-C4'-P energy: -102.501
tors. eta vs tors. theta energy: -238.426
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: 216
Temperature: 0.950000
Total energy: -2449.755559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.755559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.755559 (E_RNA)
where:
Base-Base interactions energy: -1697.805
where: short stacking energy: -720.069
Base-Backbone interact. energy: -3.114
local terms energy: -748.836589
where:
bonds (distance) C4'-P energy: -138.885
bonds (distance) P-C4' energy: -131.943
flat angles C4'-P-C4' energy: -155.544
flat angles P-C4'-P energy: -109.162
tors. eta vs tors. theta energy: -213.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2340.220482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.220482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.220482 (E_RNA)
where:
Base-Base interactions energy: -1618.633
where: short stacking energy: -682.908
Base-Backbone interact. energy: -4.958
local terms energy: -716.629718
where:
bonds (distance) C4'-P energy: -137.914
bonds (distance) P-C4' energy: -128.537
flat angles C4'-P-C4' energy: -147.697
flat angles P-C4'-P energy: -115.359
tors. eta vs tors. theta energy: -187.123
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: 216
Temperature: 1.050000
Total energy: -2230.356666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.356666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.356666 (E_RNA)
where:
Base-Base interactions energy: -1535.120
where: short stacking energy: -683.845
Base-Backbone interact. energy: -4.559
local terms energy: -690.678081
where:
bonds (distance) C4'-P energy: -109.233
bonds (distance) P-C4' energy: -128.082
flat angles C4'-P-C4' energy: -149.108
flat angles P-C4'-P energy: -110.407
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: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2065.282471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.282471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.282471 (E_RNA)
where:
Base-Base interactions energy: -1428.023
where: short stacking energy: -614.019
Base-Backbone interact. energy: -1.796
local terms energy: -635.463436
where:
bonds (distance) C4'-P energy: -107.312
bonds (distance) P-C4' energy: -136.640
flat angles C4'-P-C4' energy: -138.225
flat angles P-C4'-P energy: -87.668
tors. eta vs tors. theta energy: -165.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1851.339931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.339931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.339931 (E_RNA)
where:
Base-Base interactions energy: -1217.922
where: short stacking energy: -571.981
Base-Backbone interact. energy: -1.819
local terms energy: -631.599412
where:
bonds (distance) C4'-P energy: -131.951
bonds (distance) P-C4' energy: -125.284
flat angles C4'-P-C4' energy: -151.395
flat angles P-C4'-P energy: -88.262
tors. eta vs tors. theta energy: -134.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1539.262986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.262986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.262986 (E_RNA)
where:
Base-Base interactions energy: -978.102
where: short stacking energy: -484.015
Base-Backbone interact. energy: -3.167
local terms energy: -557.993720
where:
bonds (distance) C4'-P energy: -103.654
bonds (distance) P-C4' energy: -134.862
flat angles C4'-P-C4' energy: -124.863
flat angles P-C4'-P energy: -87.648
tors. eta vs tors. theta energy: -106.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1288.113790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.113790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.113790 (E_RNA)
where:
Base-Base interactions energy: -804.345
where: short stacking energy: -384.694
Base-Backbone interact. energy: -2.336
local terms energy: -481.432513
where:
bonds (distance) C4'-P energy: -100.298
bonds (distance) P-C4' energy: -125.295
flat angles C4'-P-C4' energy: -112.961
flat angles P-C4'-P energy: -69.415
tors. eta vs tors. theta energy: -73.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1050.940732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.940732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.940732 (E_RNA)
where:
Base-Base interactions energy: -606.230
where: short stacking energy: -316.461
Base-Backbone interact. energy: -0.056
local terms energy: -444.654977
where:
bonds (distance) C4'-P energy: -123.684
bonds (distance) P-C4' energy: -105.864
flat angles C4'-P-C4' energy: -106.180
flat angles P-C4'-P energy: -70.354
tors. eta vs tors. theta energy: -38.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -907.430448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.430448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.430448 (E_RNA)
where:
Base-Base interactions energy: -502.321
where: short stacking energy: -252.511
Base-Backbone interact. energy: -1.518
local terms energy: -403.591383
where:
bonds (distance) C4'-P energy: -100.430
bonds (distance) P-C4' energy: -124.895
flat angles C4'-P-C4' energy: -91.543
flat angles P-C4'-P energy: -67.200
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2500.483327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.483327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.483327 (E_RNA)
where:
Base-Base interactions energy: -1705.793
where: short stacking energy: -749.384
Base-Backbone interact. energy: -1.723
local terms energy: -792.967912
where:
bonds (distance) C4'-P energy: -143.493
bonds (distance) P-C4' energy: -156.822
flat angles C4'-P-C4' energy: -155.693
flat angles P-C4'-P energy: -118.737
tors. eta vs tors. theta energy: -218.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2437.911566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.911566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.911566 (E_RNA)
where:
Base-Base interactions energy: -1661.722
where: short stacking energy: -730.365
Base-Backbone interact. energy: -3.474
local terms energy: -772.715904
where:
bonds (distance) C4'-P energy: -142.732
bonds (distance) P-C4' energy: -152.809
flat angles C4'-P-C4' energy: -159.574
flat angles P-C4'-P energy: -103.650
tors. eta vs tors. theta energy: -213.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2333.589641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.589641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.589641 (E_RNA)
where:
Base-Base interactions energy: -1636.582
where: short stacking energy: -656.681
Base-Backbone interact. energy: -4.403
local terms energy: -692.604635
where:
bonds (distance) C4'-P energy: -131.687
bonds (distance) P-C4' energy: -123.001
flat angles C4'-P-C4' energy: -154.759
flat angles P-C4'-P energy: -106.222
tors. eta vs tors. theta energy: -176.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2241.107915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.107915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.107915 (E_RNA)
where:
Base-Base interactions energy: -1538.647
where: short stacking energy: -653.766
Base-Backbone interact. energy: -4.635
local terms energy: -697.825875
where:
bonds (distance) C4'-P energy: -126.614
bonds (distance) P-C4' energy: -128.368
flat angles C4'-P-C4' energy: -150.759
flat angles P-C4'-P energy: -88.343
tors. eta vs tors. theta energy: -203.743
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: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2136.289590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.289590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.289590 (E_RNA)
where:
Base-Base interactions energy: -1474.312
where: short stacking energy: -619.811
Base-Backbone interact. energy: -3.079
local terms energy: -658.898572
where:
bonds (distance) C4'-P energy: -125.789
bonds (distance) P-C4' energy: -116.186
flat angles C4'-P-C4' energy: -143.841
flat angles P-C4'-P energy: -98.582
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: 6, replica: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1849.903920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.903920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.903920 (E_RNA)
where:
Base-Base interactions energy: -1215.904
where: short stacking energy: -549.457
Base-Backbone interact. energy: -1.991
local terms energy: -632.009018
where:
bonds (distance) C4'-P energy: -115.817
bonds (distance) P-C4' energy: -144.709
flat angles C4'-P-C4' energy: -140.147
flat angles P-C4'-P energy: -92.029
tors. eta vs tors. theta energy: -139.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1537.605500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.605500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.605500 (E_RNA)
where:
Base-Base interactions energy: -990.422
where: short stacking energy: -462.176
Base-Backbone interact. energy: -3.776
local terms energy: -543.408090
where:
bonds (distance) C4'-P energy: -114.831
bonds (distance) P-C4' energy: -118.423
flat angles C4'-P-C4' energy: -130.352
flat angles P-C4'-P energy: -86.406
tors. eta vs tors. theta energy: -93.396
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: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1330.461756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.461756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.461756 (E_RNA)
where:
Base-Base interactions energy: -819.006
where: short stacking energy: -407.441
Base-Backbone interact. energy: -1.887
local terms energy: -509.568924
where:
bonds (distance) C4'-P energy: -98.830
bonds (distance) P-C4' energy: -150.570
flat angles C4'-P-C4' energy: -120.868
flat angles P-C4'-P energy: -69.418
tors. eta vs tors. theta energy: -69.882
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: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1064.435273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.435273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.435273 (E_RNA)
where:
Base-Base interactions energy: -633.543
where: short stacking energy: -309.777
Base-Backbone interact. energy: 6.975
local terms energy: -437.866946
where:
bonds (distance) C4'-P energy: -95.328
bonds (distance) P-C4' energy: -132.680
flat angles C4'-P-C4' energy: -89.817
flat angles P-C4'-P energy: -69.060
tors. eta vs tors. theta energy: -50.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -901.132478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.132478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.132478 (E_RNA)
where:
Base-Base interactions energy: -541.317
where: short stacking energy: -279.853
Base-Backbone interact. energy: -1.456
local terms energy: -358.359965
where:
bonds (distance) C4'-P energy: -98.195
bonds (distance) P-C4' energy: -106.325
flat angles C4'-P-C4' energy: -80.337
flat angles P-C4'-P energy: -54.678
tors. eta vs tors. theta energy: -18.825
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: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2482.436004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.436004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.436004 (E_RNA)
where:
Base-Base interactions energy: -1700.261
where: short stacking energy: -731.163
Base-Backbone interact. energy: -5.888
local terms energy: -776.287300
where:
bonds (distance) C4'-P energy: -148.154
bonds (distance) P-C4' energy: -155.176
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -93.443
tors. eta vs tors. theta energy: -217.423
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: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2435.601326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.601326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.601326 (E_RNA)
where:
Base-Base interactions energy: -1668.024
where: short stacking energy: -736.635
Base-Backbone interact. energy: -2.871
local terms energy: -764.706292
where:
bonds (distance) C4'-P energy: -150.272
bonds (distance) P-C4' energy: -145.008
flat angles C4'-P-C4' energy: -157.841
flat angles P-C4'-P energy: -93.487
tors. eta vs tors. theta energy: -218.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2350.975493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.975493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.975493 (E_RNA)
where:
Base-Base interactions energy: -1648.242
where: short stacking energy: -640.458
Base-Backbone interact. energy: 3.106
local terms energy: -705.838692
where:
bonds (distance) C4'-P energy: -129.427
bonds (distance) P-C4' energy: -132.153
flat angles C4'-P-C4' energy: -158.088
flat angles P-C4'-P energy: -99.518
tors. eta vs tors. theta energy: -186.652
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: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2241.048193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.048193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.048193 (E_RNA)
where:
Base-Base interactions energy: -1535.977
where: short stacking energy: -657.041
Base-Backbone interact. energy: -3.130
local terms energy: -701.941267
where:
bonds (distance) C4'-P energy: -114.236
bonds (distance) P-C4' energy: -134.374
flat angles C4'-P-C4' energy: -155.724
flat angles P-C4'-P energy: -108.943
tors. eta vs tors. theta energy: -188.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2124.590041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.590041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.590041 (E_RNA)
where:
Base-Base interactions energy: -1470.349
where: short stacking energy: -616.964
Base-Backbone interact. energy: -3.473
local terms energy: -650.768238
where:
bonds (distance) C4'-P energy: -116.666
bonds (distance) P-C4' energy: -119.248
flat angles C4'-P-C4' energy: -142.847
flat angles P-C4'-P energy: -89.490
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: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1960.384797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.384797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.384797 (E_RNA)
where:
Base-Base interactions energy: -1322.885
where: short stacking energy: -565.100
Base-Backbone interact. energy: -0.221
local terms energy: -637.278796
where:
bonds (distance) C4'-P energy: -133.408
bonds (distance) P-C4' energy: -123.321
flat angles C4'-P-C4' energy: -139.404
flat angles P-C4'-P energy: -91.585
tors. eta vs tors. theta energy: -149.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1538.420217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.420217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.420217 (E_RNA)
where:
Base-Base interactions energy: -1013.457
where: short stacking energy: -437.914
Base-Backbone interact. energy: -0.177
local terms energy: -524.785625
where:
bonds (distance) C4'-P energy: -104.829
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -131.257
flat angles P-C4'-P energy: -83.635
tors. eta vs tors. theta energy: -88.483
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: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1310.957233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.957233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.957233 (E_RNA)
where:
Base-Base interactions energy: -782.291
where: short stacking energy: -393.403
Base-Backbone interact. energy: -3.724
local terms energy: -524.941856
where:
bonds (distance) C4'-P energy: -101.731
bonds (distance) P-C4' energy: -131.077
flat angles C4'-P-C4' energy: -135.459
flat angles P-C4'-P energy: -78.432
tors. eta vs tors. theta energy: -78.243
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: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1088.394897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.394897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.394897 (E_RNA)
where:
Base-Base interactions energy: -649.803
where: short stacking energy: -317.974
Base-Backbone interact. energy: -3.883
local terms energy: -434.708649
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -108.346
flat angles C4'-P-C4' energy: -117.954
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -922.927613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.927613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.927613 (E_RNA)
where:
Base-Base interactions energy: -539.793
where: short stacking energy: -265.056
Base-Backbone interact. energy: 4.287
local terms energy: -387.422538
where:
bonds (distance) C4'-P energy: -100.251
bonds (distance) P-C4' energy: -112.398
flat angles C4'-P-C4' energy: -101.469
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2500.891270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.891270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.891270 (E_RNA)
where:
Base-Base interactions energy: -1731.463
where: short stacking energy: -776.818
Base-Backbone interact. energy: -1.364
local terms energy: -768.064432
where:
bonds (distance) C4'-P energy: -119.464
bonds (distance) P-C4' energy: -136.850
flat angles C4'-P-C4' energy: -164.417
flat angles P-C4'-P energy: -115.465
tors. eta vs tors. theta energy: -231.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2435.941954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.941954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.941954 (E_RNA)
where:
Base-Base interactions energy: -1671.039
where: short stacking energy: -706.591
Base-Backbone interact. energy: -4.056
local terms energy: -760.846363
where:
bonds (distance) C4'-P energy: -125.595
bonds (distance) P-C4' energy: -145.565
flat angles C4'-P-C4' energy: -153.592
flat angles P-C4'-P energy: -113.342
tors. eta vs tors. theta energy: -222.753
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: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2345.313358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.313358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.313358 (E_RNA)
where:
Base-Base interactions energy: -1652.476
where: short stacking energy: -689.870
Base-Backbone interact. energy: -3.397
local terms energy: -689.440336
where:
bonds (distance) C4'-P energy: -133.701
bonds (distance) P-C4' energy: -138.540
flat angles C4'-P-C4' energy: -136.783
flat angles P-C4'-P energy: -93.453
tors. eta vs tors. theta energy: -186.963
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: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2208.199691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.199691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.199691 (E_RNA)
where:
Base-Base interactions energy: -1516.883
where: short stacking energy: -641.412
Base-Backbone interact. energy: -2.216
local terms energy: -689.101169
where:
bonds (distance) C4'-P energy: -116.910
bonds (distance) P-C4' energy: -131.400
flat angles C4'-P-C4' energy: -158.787
flat angles P-C4'-P energy: -86.685
tors. eta vs tors. theta energy: -195.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2115.790127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.790127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.790127 (E_RNA)
where:
Base-Base interactions energy: -1443.119
where: short stacking energy: -621.704
Base-Backbone interact. energy: 1.055
local terms energy: -673.726268
where:
bonds (distance) C4'-P energy: -117.320
bonds (distance) P-C4' energy: -124.893
flat angles C4'-P-C4' energy: -161.353
flat angles P-C4'-P energy: -89.288
tors. eta vs tors. theta energy: -180.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1936.982542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.982542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.982542 (E_RNA)
where:
Base-Base interactions energy: -1303.221
where: short stacking energy: -559.689
Base-Backbone interact. energy: -3.026
local terms energy: -630.735471
where:
bonds (distance) C4'-P energy: -104.483
bonds (distance) P-C4' energy: -132.366
flat angles C4'-P-C4' energy: -129.165
flat angles P-C4'-P energy: -105.075
tors. eta vs tors. theta energy: -159.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1559.328347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.328347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.328347 (E_RNA)
where:
Base-Base interactions energy: -1014.853
where: short stacking energy: -446.202
Base-Backbone interact. energy: 0.040
local terms energy: -544.514889
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -125.417
flat angles C4'-P-C4' energy: -121.231
flat angles P-C4'-P energy: -95.692
tors. eta vs tors. theta energy: -90.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1303.412702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.412702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.412702 (E_RNA)
where:
Base-Base interactions energy: -815.118
where: short stacking energy: -402.672
Base-Backbone interact. energy: 0.512
local terms energy: -488.806768
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -111.396
flat angles C4'-P-C4' energy: -126.321
flat angles P-C4'-P energy: -73.115
tors. eta vs tors. theta energy: -65.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1079.314595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.314595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.314595 (E_RNA)
where:
Base-Base interactions energy: -647.832
where: short stacking energy: -310.542
Base-Backbone interact. energy: -0.194
local terms energy: -431.288159
where:
bonds (distance) C4'-P energy: -101.971
bonds (distance) P-C4' energy: -110.272
flat angles C4'-P-C4' energy: -108.524
flat angles P-C4'-P energy: -66.431
tors. eta vs tors. theta energy: -44.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -916.686233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.686233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.686233 (E_RNA)
where:
Base-Base interactions energy: -525.315
where: short stacking energy: -273.690
Base-Backbone interact. energy: 1.215
local terms energy: -392.586526
where:
bonds (distance) C4'-P energy: -108.132
bonds (distance) P-C4' energy: -104.555
flat angles C4'-P-C4' energy: -102.163
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -20.695
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: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2510.332659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.332659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.332659 (E_RNA)
where:
Base-Base interactions energy: -1719.840
where: short stacking energy: -763.680
Base-Backbone interact. energy: -5.282
local terms energy: -785.210335
where:
bonds (distance) C4'-P energy: -127.506
bonds (distance) P-C4' energy: -159.554
flat angles C4'-P-C4' energy: -155.292
flat angles P-C4'-P energy: -115.558
tors. eta vs tors. theta energy: -227.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2443.179006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.179006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.179006 (E_RNA)
where:
Base-Base interactions energy: -1693.106
where: short stacking energy: -709.393
Base-Backbone interact. energy: -2.125
local terms energy: -747.948303
where:
bonds (distance) C4'-P energy: -128.964
bonds (distance) P-C4' energy: -149.226
flat angles C4'-P-C4' energy: -139.728
flat angles P-C4'-P energy: -113.444
tors. eta vs tors. theta energy: -216.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2324.813380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.813380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.813380 (E_RNA)
where:
Base-Base interactions energy: -1651.730
where: short stacking energy: -673.221
Base-Backbone interact. energy: 0.155
local terms energy: -673.238220
where:
bonds (distance) C4'-P energy: -126.909
bonds (distance) P-C4' energy: -126.212
flat angles C4'-P-C4' energy: -149.551
flat angles P-C4'-P energy: -89.485
tors. eta vs tors. theta energy: -181.081
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: 220
Temperature: 1.050000
Total energy: -2211.939208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.939208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.939208 (E_RNA)
where:
Base-Base interactions energy: -1529.365
where: short stacking energy: -666.343
Base-Backbone interact. energy: 1.928
local terms energy: -684.502458
where:
bonds (distance) C4'-P energy: -105.892
bonds (distance) P-C4' energy: -119.692
flat angles C4'-P-C4' energy: -155.336
flat angles P-C4'-P energy: -106.133
tors. eta vs tors. theta energy: -197.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2122.148093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.148093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.148093 (E_RNA)
where:
Base-Base interactions energy: -1459.381
where: short stacking energy: -621.846
Base-Backbone interact. energy: -1.849
local terms energy: -660.918602
where:
bonds (distance) C4'-P energy: -130.081
bonds (distance) P-C4' energy: -127.556
flat angles C4'-P-C4' energy: -137.911
flat angles P-C4'-P energy: -91.964
tors. eta vs tors. theta energy: -173.406
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: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1937.338588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.338588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.338588 (E_RNA)
where:
Base-Base interactions energy: -1330.442
where: short stacking energy: -569.302
Base-Backbone interact. energy: -2.218
local terms energy: -604.678412
where:
bonds (distance) C4'-P energy: -115.690
bonds (distance) P-C4' energy: -115.102
flat angles C4'-P-C4' energy: -137.540
flat angles P-C4'-P energy: -92.432
tors. eta vs tors. theta energy: -143.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1569.645508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.645508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.645508 (E_RNA)
where:
Base-Base interactions energy: -1040.960
where: short stacking energy: -449.938
Base-Backbone interact. energy: 4.399
local terms energy: -533.084316
where:
bonds (distance) C4'-P energy: -119.202
bonds (distance) P-C4' energy: -112.727
flat angles C4'-P-C4' energy: -137.013
flat angles P-C4'-P energy: -67.855
tors. eta vs tors. theta energy: -96.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1275.246302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.246302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.246302 (E_RNA)
where:
Base-Base interactions energy: -764.770
where: short stacking energy: -342.327
Base-Backbone interact. energy: 5.260
local terms energy: -515.736665
where:
bonds (distance) C4'-P energy: -112.762
bonds (distance) P-C4' energy: -125.634
flat angles C4'-P-C4' energy: -123.432
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -68.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1111.415678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.415678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.415678 (E_RNA)
where:
Base-Base interactions energy: -682.196
where: short stacking energy: -346.848
Base-Backbone interact. energy: 8.293
local terms energy: -437.512975
where:
bonds (distance) C4'-P energy: -105.748
bonds (distance) P-C4' energy: -107.619
flat angles C4'-P-C4' energy: -127.049
flat angles P-C4'-P energy: -46.687
tors. eta vs tors. theta energy: -50.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -883.761217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.761217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.761217 (E_RNA)
where:
Base-Base interactions energy: -455.306
where: short stacking energy: -239.916
Base-Backbone interact. energy: -1.573
local terms energy: -426.882065
where:
bonds (distance) C4'-P energy: -111.558
bonds (distance) P-C4' energy: -125.905
flat angles C4'-P-C4' energy: -106.568
flat angles P-C4'-P energy: -67.577
tors. eta vs tors. theta energy: -15.274
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: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2515.116864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.116864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.116864 (E_RNA)
where:
Base-Base interactions energy: -1718.869
where: short stacking energy: -761.684
Base-Backbone interact. energy: -3.016
local terms energy: -793.232643
where:
bonds (distance) C4'-P energy: -135.711
bonds (distance) P-C4' energy: -151.269
flat angles C4'-P-C4' energy: -170.496
flat angles P-C4'-P energy: -104.175
tors. eta vs tors. theta energy: -231.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2473.451474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.451474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.451474 (E_RNA)
where:
Base-Base interactions energy: -1714.176
where: short stacking energy: -728.631
Base-Backbone interact. energy: 1.507
local terms energy: -760.782696
where:
bonds (distance) C4'-P energy: -140.477
bonds (distance) P-C4' energy: -143.246
flat angles C4'-P-C4' energy: -163.070
flat angles P-C4'-P energy: -109.471
tors. eta vs tors. theta energy: -204.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2320.263561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.263561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.263561 (E_RNA)
where:
Base-Base interactions energy: -1616.820
where: short stacking energy: -673.774
Base-Backbone interact. energy: -1.687
local terms energy: -701.756311
where:
bonds (distance) C4'-P energy: -120.721
bonds (distance) P-C4' energy: -146.558
flat angles C4'-P-C4' energy: -152.647
flat angles P-C4'-P energy: -95.639
tors. eta vs tors. theta energy: -186.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2204.134424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.134424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.134424 (E_RNA)
where:
Base-Base interactions energy: -1496.622
where: short stacking energy: -650.321
Base-Backbone interact. energy: -4.506
local terms energy: -703.006254
where:
bonds (distance) C4'-P energy: -130.431
bonds (distance) P-C4' energy: -127.621
flat angles C4'-P-C4' energy: -155.223
flat angles P-C4'-P energy: -100.458
tors. eta vs tors. theta energy: -189.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2125.640879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.640879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.640879 (E_RNA)
where:
Base-Base interactions energy: -1437.775
where: short stacking energy: -648.110
Base-Backbone interact. energy: -1.574
local terms energy: -686.291208
where:
bonds (distance) C4'-P energy: -116.390
bonds (distance) P-C4' energy: -139.252
flat angles C4'-P-C4' energy: -156.488
flat angles P-C4'-P energy: -74.149
tors. eta vs tors. theta energy: -200.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1982.267889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.267889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.267889 (E_RNA)
where:
Base-Base interactions energy: -1328.590
where: short stacking energy: -558.155
Base-Backbone interact. energy: -2.890
local terms energy: -650.787556
where:
bonds (distance) C4'-P energy: -135.590
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -151.401
flat angles P-C4'-P energy: -94.830
tors. eta vs tors. theta energy: -150.254
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: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1666.486375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.486375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.486375 (E_RNA)
where:
Base-Base interactions energy: -1102.097
where: short stacking energy: -491.014
Base-Backbone interact. energy: -0.472
local terms energy: -563.917155
where:
bonds (distance) C4'-P energy: -117.578
bonds (distance) P-C4' energy: -108.021
flat angles C4'-P-C4' energy: -123.148
flat angles P-C4'-P energy: -80.214
tors. eta vs tors. theta energy: -134.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1299.643078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.643078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.643078 (E_RNA)
where:
Base-Base interactions energy: -783.032
where: short stacking energy: -365.756
Base-Backbone interact. energy: -2.373
local terms energy: -514.237256
where:
bonds (distance) C4'-P energy: -118.473
bonds (distance) P-C4' energy: -138.981
flat angles C4'-P-C4' energy: -104.886
flat angles P-C4'-P energy: -75.684
tors. eta vs tors. theta energy: -76.214
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: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1092.289072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.289072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.289072 (E_RNA)
where:
Base-Base interactions energy: -659.356
where: short stacking energy: -301.893
Base-Backbone interact. energy: 2.521
local terms energy: -435.453923
where:
bonds (distance) C4'-P energy: -106.630
bonds (distance) P-C4' energy: -108.412
flat angles C4'-P-C4' energy: -121.863
flat angles P-C4'-P energy: -66.292
tors. eta vs tors. theta energy: -32.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -958.139421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.139421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.139421 (E_RNA)
where:
Base-Base interactions energy: -514.498
where: short stacking energy: -259.696
Base-Backbone interact. energy: 6.713
local terms energy: -450.355090
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -128.029
flat angles C4'-P-C4' energy: -117.938
flat angles P-C4'-P energy: -74.704
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2509.880819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.880819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.880819 (E_RNA)
where:
Base-Base interactions energy: -1712.552
where: short stacking energy: -759.316
Base-Backbone interact. energy: -0.719
local terms energy: -796.610045
where:
bonds (distance) C4'-P energy: -138.883
bonds (distance) P-C4' energy: -134.820
flat angles C4'-P-C4' energy: -167.196
flat angles P-C4'-P energy: -123.493
tors. eta vs tors. theta energy: -232.217
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: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2441.536222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.536222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.536222 (E_RNA)
where:
Base-Base interactions energy: -1698.828
where: short stacking energy: -676.950
Base-Backbone interact. energy: -1.763
local terms energy: -740.944837
where:
bonds (distance) C4'-P energy: -127.779
bonds (distance) P-C4' energy: -142.386
flat angles C4'-P-C4' energy: -167.516
flat angles P-C4'-P energy: -98.651
tors. eta vs tors. theta energy: -204.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2358.524786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.524786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.524786 (E_RNA)
where:
Base-Base interactions energy: -1643.758
where: short stacking energy: -666.187
Base-Backbone interact. energy: -1.923
local terms energy: -712.843568
where:
bonds (distance) C4'-P energy: -144.863
bonds (distance) P-C4' energy: -132.371
flat angles C4'-P-C4' energy: -146.375
flat angles P-C4'-P energy: -102.019
tors. eta vs tors. theta energy: -187.215
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: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2157.207568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.207568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.207568 (E_RNA)
where:
Base-Base interactions energy: -1492.093
where: short stacking energy: -644.793
Base-Backbone interact. energy: -3.619
local terms energy: -661.495004
where:
bonds (distance) C4'-P energy: -117.066
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -153.497
flat angles P-C4'-P energy: -87.638
tors. eta vs tors. theta energy: -188.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2140.216928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.216928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.216928 (E_RNA)
where:
Base-Base interactions energy: -1439.511
where: short stacking energy: -636.607
Base-Backbone interact. energy: -5.001
local terms energy: -695.705023
where:
bonds (distance) C4'-P energy: -137.747
bonds (distance) P-C4' energy: -132.267
flat angles C4'-P-C4' energy: -156.294
flat angles P-C4'-P energy: -78.486
tors. eta vs tors. theta energy: -190.911
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: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1959.555798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.555798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.555798 (E_RNA)
where:
Base-Base interactions energy: -1346.690
where: short stacking energy: -584.996
Base-Backbone interact. energy: -4.781
local terms energy: -608.084687
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -111.565
flat angles C4'-P-C4' energy: -133.209
flat angles P-C4'-P energy: -96.955
tors. eta vs tors. theta energy: -146.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1682.159886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.159886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.159886 (E_RNA)
where:
Base-Base interactions energy: -1091.637
where: short stacking energy: -475.659
Base-Backbone interact. energy: -3.730
local terms energy: -586.793041
where:
bonds (distance) C4'-P energy: -127.111
bonds (distance) P-C4' energy: -123.908
flat angles C4'-P-C4' energy: -136.795
flat angles P-C4'-P energy: -86.039
tors. eta vs tors. theta energy: -112.939
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: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1323.188827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.188827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.188827 (E_RNA)
where:
Base-Base interactions energy: -831.997
where: short stacking energy: -404.419
Base-Backbone interact. energy: 3.989
local terms energy: -495.181574
where:
bonds (distance) C4'-P energy: -113.623
bonds (distance) P-C4' energy: -118.978
flat angles C4'-P-C4' energy: -115.792
flat angles P-C4'-P energy: -75.186
tors. eta vs tors. theta energy: -71.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1072.795268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.795268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.795268 (E_RNA)
where:
Base-Base interactions energy: -633.402
where: short stacking energy: -293.278
Base-Backbone interact. energy: -1.707
local terms energy: -437.686702
where:
bonds (distance) C4'-P energy: -112.292
bonds (distance) P-C4' energy: -116.659
flat angles C4'-P-C4' energy: -110.655
flat angles P-C4'-P energy: -68.759
tors. eta vs tors. theta energy: -29.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -923.900308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.900308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.900308 (E_RNA)
where:
Base-Base interactions energy: -516.096
where: short stacking energy: -267.934
Base-Backbone interact. energy: 1.578
local terms energy: -409.381904
where:
bonds (distance) C4'-P energy: -99.423
bonds (distance) P-C4' energy: -124.709
flat angles C4'-P-C4' energy: -93.694
flat angles P-C4'-P energy: -74.194
tors. eta vs tors. theta energy: -17.361
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: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2545.475869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.475869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.475869 (E_RNA)
where:
Base-Base interactions energy: -1740.045
where: short stacking energy: -773.807
Base-Backbone interact. energy: -0.987
local terms energy: -804.443618
where:
bonds (distance) C4'-P energy: -150.349
bonds (distance) P-C4' energy: -138.976
flat angles C4'-P-C4' energy: -175.294
flat angles P-C4'-P energy: -109.078
tors. eta vs tors. theta energy: -230.747
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: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2462.431510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.431510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.431510 (E_RNA)
where:
Base-Base interactions energy: -1694.918
where: short stacking energy: -708.977
Base-Backbone interact. energy: -4.443
local terms energy: -763.070962
where:
bonds (distance) C4'-P energy: -132.461
bonds (distance) P-C4' energy: -140.400
flat angles C4'-P-C4' energy: -154.757
flat angles P-C4'-P energy: -118.261
tors. eta vs tors. theta energy: -217.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2360.906663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.906663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.906663 (E_RNA)
where:
Base-Base interactions energy: -1634.388
where: short stacking energy: -666.714
Base-Backbone interact. energy: -3.496
local terms energy: -723.022425
where:
bonds (distance) C4'-P energy: -138.723
bonds (distance) P-C4' energy: -132.420
flat angles C4'-P-C4' energy: -163.521
flat angles P-C4'-P energy: -105.580
tors. eta vs tors. theta energy: -182.778
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: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2218.267230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.267230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.267230 (E_RNA)
where:
Base-Base interactions energy: -1513.328
where: short stacking energy: -679.223
Base-Backbone interact. energy: -3.186
local terms energy: -701.753800
where:
bonds (distance) C4'-P energy: -122.175
bonds (distance) P-C4' energy: -128.889
flat angles C4'-P-C4' energy: -145.119
flat angles P-C4'-P energy: -102.830
tors. eta vs tors. theta energy: -202.741
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: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2084.478897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.478897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.478897 (E_RNA)
where:
Base-Base interactions energy: -1411.825
where: short stacking energy: -625.754
Base-Backbone interact. energy: -3.116
local terms energy: -669.537859
where:
bonds (distance) C4'-P energy: -131.401
bonds (distance) P-C4' energy: -132.409
flat angles C4'-P-C4' energy: -134.531
flat angles P-C4'-P energy: -80.728
tors. eta vs tors. theta energy: -190.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1940.959911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.959911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.959911 (E_RNA)
where:
Base-Base interactions energy: -1294.109
where: short stacking energy: -557.269
Base-Backbone interact. energy: -3.042
local terms energy: -643.808534
where:
bonds (distance) C4'-P energy: -120.879
bonds (distance) P-C4' energy: -122.694
flat angles C4'-P-C4' energy: -134.260
flat angles P-C4'-P energy: -103.170
tors. eta vs tors. theta energy: -162.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1706.964281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.964281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.964281 (E_RNA)
where:
Base-Base interactions energy: -1122.060
where: short stacking energy: -511.333
Base-Backbone interact. energy: -3.971
local terms energy: -580.933121
where:
bonds (distance) C4'-P energy: -102.483
bonds (distance) P-C4' energy: -126.517
flat angles C4'-P-C4' energy: -143.336
flat angles P-C4'-P energy: -81.370
tors. eta vs tors. theta energy: -127.228
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1309.903326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.903326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.903326 (E_RNA)
where:
Base-Base interactions energy: -803.560
where: short stacking energy: -411.831
Base-Backbone interact. energy: -2.247
local terms energy: -504.095630
where:
bonds (distance) C4'-P energy: -119.009
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -117.708
flat angles P-C4'-P energy: -84.046
tors. eta vs tors. theta energy: -71.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1082.300738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.300738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.300738 (E_RNA)
where:
Base-Base interactions energy: -642.064
where: short stacking energy: -299.835
Base-Backbone interact. energy: 6.272
local terms energy: -446.508949
where:
bonds (distance) C4'-P energy: -120.081
bonds (distance) P-C4' energy: -133.274
flat angles C4'-P-C4' energy: -92.002
flat angles P-C4'-P energy: -60.819
tors. eta vs tors. theta energy: -40.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -913.985301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.985301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.985301 (E_RNA)
where:
Base-Base interactions energy: -509.953
where: short stacking energy: -263.890
Base-Backbone interact. energy: -0.940
local terms energy: -403.092726
where:
bonds (distance) C4'-P energy: -106.085
bonds (distance) P-C4' energy: -103.146
flat angles C4'-P-C4' energy: -110.756
flat angles P-C4'-P energy: -62.962
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2503.499826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.499826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.499826 (E_RNA)
where:
Base-Base interactions energy: -1714.126
where: short stacking energy: -768.769
Base-Backbone interact. energy: -1.756
local terms energy: -787.617488
where:
bonds (distance) C4'-P energy: -136.858
bonds (distance) P-C4' energy: -141.096
flat angles C4'-P-C4' energy: -171.217
flat angles P-C4'-P energy: -108.475
tors. eta vs tors. theta energy: -229.971
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: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2468.742371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.742371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.742371 (E_RNA)
where:
Base-Base interactions energy: -1703.023
where: short stacking energy: -716.371
Base-Backbone interact. energy: -3.209
local terms energy: -762.511065
where:
bonds (distance) C4'-P energy: -143.547
bonds (distance) P-C4' energy: -139.076
flat angles C4'-P-C4' energy: -156.689
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -209.781
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: 224
Temperature: 1.000000
Total energy: -2333.603468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.603468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.603468 (E_RNA)
where:
Base-Base interactions energy: -1648.591
where: short stacking energy: -680.909
Base-Backbone interact. energy: -2.488
local terms energy: -682.524824
where:
bonds (distance) C4'-P energy: -129.272
bonds (distance) P-C4' energy: -127.271
flat angles C4'-P-C4' energy: -150.673
flat angles P-C4'-P energy: -96.305
tors. eta vs tors. theta energy: -179.005
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: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2274.518961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.518961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.518961 (E_RNA)
where:
Base-Base interactions energy: -1538.114
where: short stacking energy: -690.273
Base-Backbone interact. energy: -0.682
local terms energy: -735.723734
where:
bonds (distance) C4'-P energy: -148.002
bonds (distance) P-C4' energy: -135.880
flat angles C4'-P-C4' energy: -149.236
flat angles P-C4'-P energy: -102.736
tors. eta vs tors. theta energy: -199.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2043.902204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.902204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.902204 (E_RNA)
where:
Base-Base interactions energy: -1366.703
where: short stacking energy: -605.627
Base-Backbone interact. energy: -1.980
local terms energy: -675.219156
where:
bonds (distance) C4'-P energy: -123.130
bonds (distance) P-C4' energy: -125.647
flat angles C4'-P-C4' energy: -142.889
flat angles P-C4'-P energy: -101.234
tors. eta vs tors. theta energy: -182.319
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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1938.829572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.829572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.829572 (E_RNA)
where:
Base-Base interactions energy: -1291.554
where: short stacking energy: -570.596
Base-Backbone interact. energy: -7.450
local terms energy: -639.826418
where:
bonds (distance) C4'-P energy: -129.283
bonds (distance) P-C4' energy: -119.135
flat angles C4'-P-C4' energy: -149.645
flat angles P-C4'-P energy: -91.116
tors. eta vs tors. theta energy: -150.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1724.410155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.410155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.410155 (E_RNA)
where:
Base-Base interactions energy: -1118.024
where: short stacking energy: -500.089
Base-Backbone interact. energy: -1.829
local terms energy: -604.557087
where:
bonds (distance) C4'-P energy: -130.143
bonds (distance) P-C4' energy: -131.051
flat angles C4'-P-C4' energy: -126.563
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -129.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1306.002824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.002824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.002824 (E_RNA)
where:
Base-Base interactions energy: -819.466
where: short stacking energy: -381.057
Base-Backbone interact. energy: 2.952
local terms energy: -489.488886
where:
bonds (distance) C4'-P energy: -101.570
bonds (distance) P-C4' energy: -109.851
flat angles C4'-P-C4' energy: -117.302
flat angles P-C4'-P energy: -93.035
tors. eta vs tors. theta energy: -67.731
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: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -917.021049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.021049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.021049 (E_RNA)
where:
Base-Base interactions energy: -485.503
where: short stacking energy: -256.219
Base-Backbone interact. energy: -1.011
local terms energy: -430.506230
where:
bonds (distance) C4'-P energy: -123.103
bonds (distance) P-C4' energy: -104.183
flat angles C4'-P-C4' energy: -115.340
flat angles P-C4'-P energy: -60.709
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1007.873198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.873198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.873198 (E_RNA)
where:
Base-Base interactions energy: -604.753
where: short stacking energy: -320.528
Base-Backbone interact. energy: -1.264
local terms energy: -401.856062
where:
bonds (distance) C4'-P energy: -111.048
bonds (distance) P-C4' energy: -90.896
flat angles C4'-P-C4' energy: -113.022
flat angles P-C4'-P energy: -48.729
tors. eta vs tors. theta energy: -38.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2479.593650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.593650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.593650 (E_RNA)
where:
Base-Base interactions energy: -1684.659
where: short stacking energy: -715.574
Base-Backbone interact. energy: -6.510
local terms energy: -788.423768
where:
bonds (distance) C4'-P energy: -140.773
bonds (distance) P-C4' energy: -149.288
flat angles C4'-P-C4' energy: -168.932
flat angles P-C4'-P energy: -123.882
tors. eta vs tors. theta energy: -205.548
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: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2483.317386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.317386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.317386 (E_RNA)
where:
Base-Base interactions energy: -1699.061
where: short stacking energy: -710.852
Base-Backbone interact. energy: -4.373
local terms energy: -779.883659
where:
bonds (distance) C4'-P energy: -151.914
bonds (distance) P-C4' energy: -129.238
flat angles C4'-P-C4' energy: -161.524
flat angles P-C4'-P energy: -118.725
tors. eta vs tors. theta energy: -218.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2343.563668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.563668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.563668 (E_RNA)
where:
Base-Base interactions energy: -1649.815
where: short stacking energy: -678.401
Base-Backbone interact. energy: -0.759
local terms energy: -692.989267
where:
bonds (distance) C4'-P energy: -125.026
bonds (distance) P-C4' energy: -128.084
flat angles C4'-P-C4' energy: -156.212
flat angles P-C4'-P energy: -101.577
tors. eta vs tors. theta energy: -182.091
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: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2265.660818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.660818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.660818 (E_RNA)
where:
Base-Base interactions energy: -1550.015
where: short stacking energy: -683.289
Base-Backbone interact. energy: -0.120
local terms energy: -715.526392
where:
bonds (distance) C4'-P energy: -126.596
bonds (distance) P-C4' energy: -140.153
flat angles C4'-P-C4' energy: -156.502
flat angles P-C4'-P energy: -99.551
tors. eta vs tors. theta energy: -192.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2069.119120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.119120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.119120 (E_RNA)
where:
Base-Base interactions energy: -1410.945
where: short stacking energy: -584.821
Base-Backbone interact. energy: -1.165
local terms energy: -657.009652
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -133.187
flat angles C4'-P-C4' energy: -141.076
flat angles P-C4'-P energy: -100.253
tors. eta vs tors. theta energy: -172.337
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: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1894.514674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.514674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.514674 (E_RNA)
where:
Base-Base interactions energy: -1287.215
where: short stacking energy: -571.734
Base-Backbone interact. energy: 4.434
local terms energy: -611.733700
where:
bonds (distance) C4'-P energy: -115.103
bonds (distance) P-C4' energy: -140.850
flat angles C4'-P-C4' energy: -125.287
flat angles P-C4'-P energy: -88.117
tors. eta vs tors. theta energy: -142.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1666.669278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.669278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.669278 (E_RNA)
where:
Base-Base interactions energy: -1106.965
where: short stacking energy: -473.733
Base-Backbone interact. energy: -0.122
local terms energy: -559.581674
where:
bonds (distance) C4'-P energy: -110.161
bonds (distance) P-C4' energy: -143.748
flat angles C4'-P-C4' energy: -127.008
flat angles P-C4'-P energy: -69.836
tors. eta vs tors. theta energy: -108.829
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: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1278.797495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.797495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.797495 (E_RNA)
where:
Base-Base interactions energy: -786.260
where: short stacking energy: -387.786
Base-Backbone interact. energy: 3.211
local terms energy: -495.749158
where:
bonds (distance) C4'-P energy: -105.791
bonds (distance) P-C4' energy: -118.802
flat angles C4'-P-C4' energy: -133.852
flat angles P-C4'-P energy: -60.038
tors. eta vs tors. theta energy: -77.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -940.880277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.880277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.880277 (E_RNA)
where:
Base-Base interactions energy: -511.596
where: short stacking energy: -277.169
Base-Backbone interact. energy: 5.580
local terms energy: -434.865031
where:
bonds (distance) C4'-P energy: -115.792
bonds (distance) P-C4' energy: -108.706
flat angles C4'-P-C4' energy: -100.726
flat angles P-C4'-P energy: -78.978
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: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1022.410715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.410715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.410715 (E_RNA)
where:
Base-Base interactions energy: -575.862
where: short stacking energy: -313.458
Base-Backbone interact. energy: 4.288
local terms energy: -450.836735
where:
bonds (distance) C4'-P energy: -100.359
bonds (distance) P-C4' energy: -128.548
flat angles C4'-P-C4' energy: -109.953
flat angles P-C4'-P energy: -66.201
tors. eta vs tors. theta energy: -45.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2545.070616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.070616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.070616 (E_RNA)
where:
Base-Base interactions energy: -1765.563
where: short stacking energy: -722.765
Base-Backbone interact. energy: -2.014
local terms energy: -777.493302
where:
bonds (distance) C4'-P energy: -144.667
bonds (distance) P-C4' energy: -143.819
flat angles C4'-P-C4' energy: -165.736
flat angles P-C4'-P energy: -112.790
tors. eta vs tors. theta energy: -210.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2449.655720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.655720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.655720 (E_RNA)
where:
Base-Base interactions energy: -1655.963
where: short stacking energy: -721.895
Base-Backbone interact. energy: -2.218
local terms energy: -791.475015
where:
bonds (distance) C4'-P energy: -151.181
bonds (distance) P-C4' energy: -143.295
flat angles C4'-P-C4' energy: -151.050
flat angles P-C4'-P energy: -127.308
tors. eta vs tors. theta energy: -218.640
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: 226
Temperature: 1.000000
Total energy: -2341.075900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.075900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.075900 (E_RNA)
where:
Base-Base interactions energy: -1640.966
where: short stacking energy: -706.393
Base-Backbone interact. energy: 4.323
local terms energy: -704.432873
where:
bonds (distance) C4'-P energy: -129.140
bonds (distance) P-C4' energy: -132.815
flat angles C4'-P-C4' energy: -152.208
flat angles P-C4'-P energy: -94.032
tors. eta vs tors. theta energy: -196.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2314.479526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.479526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.479526 (E_RNA)
where:
Base-Base interactions energy: -1592.795
where: short stacking energy: -694.379
Base-Backbone interact. energy: -2.011
local terms energy: -719.673645
where:
bonds (distance) C4'-P energy: -137.656
bonds (distance) P-C4' energy: -117.054
flat angles C4'-P-C4' energy: -151.872
flat angles P-C4'-P energy: -111.633
tors. eta vs tors. theta energy: -201.459
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: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2088.696348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.696348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.696348 (E_RNA)
where:
Base-Base interactions energy: -1419.988
where: short stacking energy: -635.617
Base-Backbone interact. energy: -0.383
local terms energy: -668.324976
where:
bonds (distance) C4'-P energy: -113.631
bonds (distance) P-C4' energy: -122.495
flat angles C4'-P-C4' energy: -141.072
flat angles P-C4'-P energy: -106.637
tors. eta vs tors. theta energy: -184.489
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: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1846.075912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.075912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.075912 (E_RNA)
where:
Base-Base interactions energy: -1272.616
where: short stacking energy: -549.452
Base-Backbone interact. energy: -0.605
local terms energy: -572.855126
where:
bonds (distance) C4'-P energy: -124.289
bonds (distance) P-C4' energy: -120.681
flat angles C4'-P-C4' energy: -120.742
flat angles P-C4'-P energy: -74.133
tors. eta vs tors. theta energy: -133.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1721.848663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.848663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.848663 (E_RNA)
where:
Base-Base interactions energy: -1172.844
where: short stacking energy: -514.580
Base-Backbone interact. energy: -2.596
local terms energy: -546.408773
where:
bonds (distance) C4'-P energy: -109.464
bonds (distance) P-C4' energy: -104.128
flat angles C4'-P-C4' energy: -127.702
flat angles P-C4'-P energy: -87.329
tors. eta vs tors. theta energy: -117.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1250.538962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.538962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.538962 (E_RNA)
where:
Base-Base interactions energy: -770.708
where: short stacking energy: -355.393
Base-Backbone interact. energy: -0.823
local terms energy: -479.007533
where:
bonds (distance) C4'-P energy: -116.566
bonds (distance) P-C4' energy: -117.415
flat angles C4'-P-C4' energy: -114.197
flat angles P-C4'-P energy: -51.601
tors. eta vs tors. theta energy: -79.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1014.904948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.904948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.904948 (E_RNA)
where:
Base-Base interactions energy: -588.084
where: short stacking energy: -304.695
Base-Backbone interact. energy: 1.742
local terms energy: -428.562899
where:
bonds (distance) C4'-P energy: -126.517
bonds (distance) P-C4' energy: -109.965
flat angles C4'-P-C4' energy: -90.580
flat angles P-C4'-P energy: -73.271
tors. eta vs tors. theta energy: -28.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -951.596415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.596415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.596415 (E_RNA)
where:
Base-Base interactions energy: -538.409
where: short stacking energy: -256.295
Base-Backbone interact. energy: -1.110
local terms energy: -412.077032
where:
bonds (distance) C4'-P energy: -103.358
bonds (distance) P-C4' energy: -114.663
flat angles C4'-P-C4' energy: -110.467
flat angles P-C4'-P energy: -65.858
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2555.306131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.306131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.306131 (E_RNA)
where:
Base-Base interactions energy: -1764.947
where: short stacking energy: -753.341
Base-Backbone interact. energy: -0.143
local terms energy: -790.215815
where:
bonds (distance) C4'-P energy: -146.700
bonds (distance) P-C4' energy: -153.925
flat angles C4'-P-C4' energy: -166.403
flat angles P-C4'-P energy: -93.470
tors. eta vs tors. theta energy: -229.718
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: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2462.447354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.447354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.447354 (E_RNA)
where:
Base-Base interactions energy: -1687.141
where: short stacking energy: -749.198
Base-Backbone interact. energy: -3.264
local terms energy: -772.042959
where:
bonds (distance) C4'-P energy: -131.078
bonds (distance) P-C4' energy: -148.374
flat angles C4'-P-C4' energy: -161.747
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -227.540
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: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2335.042211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.042211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.042211 (E_RNA)
where:
Base-Base interactions energy: -1641.462
where: short stacking energy: -671.910
Base-Backbone interact. energy: -4.184
local terms energy: -689.396021
where:
bonds (distance) C4'-P energy: -125.615
bonds (distance) P-C4' energy: -135.842
flat angles C4'-P-C4' energy: -143.936
flat angles P-C4'-P energy: -90.196
tors. eta vs tors. theta energy: -193.808
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: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2315.014743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.014743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.014743 (E_RNA)
where:
Base-Base interactions energy: -1632.634
where: short stacking energy: -732.531
Base-Backbone interact. energy: 2.015
local terms energy: -684.396171
where:
bonds (distance) C4'-P energy: -116.402
bonds (distance) P-C4' energy: -127.765
flat angles C4'-P-C4' energy: -146.608
flat angles P-C4'-P energy: -89.915
tors. eta vs tors. theta energy: -203.707
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: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2145.597010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.597010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.597010 (E_RNA)
where:
Base-Base interactions energy: -1443.031
where: short stacking energy: -640.621
Base-Backbone interact. energy: -2.909
local terms energy: -699.656958
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -137.351
flat angles C4'-P-C4' energy: -151.841
flat angles P-C4'-P energy: -97.410
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: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1853.257601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.257601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.257601 (E_RNA)
where:
Base-Base interactions energy: -1255.689
where: short stacking energy: -528.086
Base-Backbone interact. energy: -2.534
local terms energy: -595.034209
where:
bonds (distance) C4'-P energy: -112.114
bonds (distance) P-C4' energy: -119.589
flat angles C4'-P-C4' energy: -137.657
flat angles P-C4'-P energy: -84.028
tors. eta vs tors. theta energy: -141.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1736.984603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.984603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.984603 (E_RNA)
where:
Base-Base interactions energy: -1145.326
where: short stacking energy: -498.905
Base-Backbone interact. energy: -2.386
local terms energy: -589.272989
where:
bonds (distance) C4'-P energy: -114.034
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -133.704
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: -129.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1225.024626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.024626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.024626 (E_RNA)
where:
Base-Base interactions energy: -757.362
where: short stacking energy: -351.013
Base-Backbone interact. energy: -0.922
local terms energy: -466.740831
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -126.283
flat angles C4'-P-C4' energy: -106.302
flat angles P-C4'-P energy: -69.915
tors. eta vs tors. theta energy: -53.963
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: 227
Temperature: 1.300000
Total energy: -1121.078052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.078052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.078052 (E_RNA)
where:
Base-Base interactions energy: -668.775
where: short stacking energy: -343.826
Base-Backbone interact. energy: 0.518
local terms energy: -452.820940
where:
bonds (distance) C4'-P energy: -97.508
bonds (distance) P-C4' energy: -119.342
flat angles C4'-P-C4' energy: -103.257
flat angles P-C4'-P energy: -69.824
tors. eta vs tors. theta energy: -62.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -875.622329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.622329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.622329 (E_RNA)
where:
Base-Base interactions energy: -484.012
where: short stacking energy: -248.290
Base-Backbone interact. energy: -3.438
local terms energy: -388.171676
where:
bonds (distance) C4'-P energy: -110.194
bonds (distance) P-C4' energy: -113.155
flat angles C4'-P-C4' energy: -97.821
flat angles P-C4'-P energy: -54.955
tors. eta vs tors. theta energy: -12.047
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: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2545.408643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.408643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.408643 (E_RNA)
where:
Base-Base interactions energy: -1780.563
where: short stacking energy: -745.571
Base-Backbone interact. energy: -1.402
local terms energy: -763.443530
where:
bonds (distance) C4'-P energy: -124.725
bonds (distance) P-C4' energy: -151.959
flat angles C4'-P-C4' energy: -168.184
flat angles P-C4'-P energy: -100.191
tors. eta vs tors. theta energy: -218.385
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: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2446.897204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.897204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.897204 (E_RNA)
where:
Base-Base interactions energy: -1682.075
where: short stacking energy: -736.131
Base-Backbone interact. energy: 1.457
local terms energy: -766.279749
where:
bonds (distance) C4'-P energy: -128.859
bonds (distance) P-C4' energy: -149.427
flat angles C4'-P-C4' energy: -161.360
flat angles P-C4'-P energy: -109.627
tors. eta vs tors. theta energy: -217.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2347.684624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.684624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.684624 (E_RNA)
where:
Base-Base interactions energy: -1611.006
where: short stacking energy: -701.308
Base-Backbone interact. energy: -4.805
local terms energy: -731.873102
where:
bonds (distance) C4'-P energy: -135.084
bonds (distance) P-C4' energy: -125.069
flat angles C4'-P-C4' energy: -151.596
flat angles P-C4'-P energy: -100.038
tors. eta vs tors. theta energy: -220.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2311.993032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.993032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.993032 (E_RNA)
where:
Base-Base interactions energy: -1652.839
where: short stacking energy: -669.529
Base-Backbone interact. energy: -3.109
local terms energy: -656.044409
where:
bonds (distance) C4'-P energy: -110.423
bonds (distance) P-C4' energy: -135.882
flat angles C4'-P-C4' energy: -151.768
flat angles P-C4'-P energy: -79.469
tors. eta vs tors. theta energy: -178.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2071.864585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.864585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.864585 (E_RNA)
where:
Base-Base interactions energy: -1412.009
where: short stacking energy: -600.172
Base-Backbone interact. energy: -5.076
local terms energy: -654.779143
where:
bonds (distance) C4'-P energy: -118.760
bonds (distance) P-C4' energy: -129.905
flat angles C4'-P-C4' energy: -144.248
flat angles P-C4'-P energy: -94.964
tors. eta vs tors. theta energy: -166.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1897.422877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.422877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.422877 (E_RNA)
where:
Base-Base interactions energy: -1289.625
where: short stacking energy: -542.757
Base-Backbone interact. energy: -2.770
local terms energy: -605.028427
where:
bonds (distance) C4'-P energy: -129.408
bonds (distance) P-C4' energy: -108.608
flat angles C4'-P-C4' energy: -139.278
flat angles P-C4'-P energy: -86.337
tors. eta vs tors. theta energy: -141.396
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: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1697.711291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.711291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.711291 (E_RNA)
where:
Base-Base interactions energy: -1130.700
where: short stacking energy: -480.490
Base-Backbone interact. energy: 0.635
local terms energy: -567.646348
where:
bonds (distance) C4'-P energy: -115.709
bonds (distance) P-C4' energy: -136.518
flat angles C4'-P-C4' energy: -113.359
flat angles P-C4'-P energy: -81.554
tors. eta vs tors. theta energy: -120.506
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: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1229.060530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.060530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.060530 (E_RNA)
where:
Base-Base interactions energy: -751.560
where: short stacking energy: -374.651
Base-Backbone interact. energy: -3.878
local terms energy: -473.622570
where:
bonds (distance) C4'-P energy: -117.753
bonds (distance) P-C4' energy: -125.997
flat angles C4'-P-C4' energy: -110.908
flat angles P-C4'-P energy: -68.553
tors. eta vs tors. theta energy: -50.412
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: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1070.103397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.103397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.103397 (E_RNA)
where:
Base-Base interactions energy: -631.702
where: short stacking energy: -318.317
Base-Backbone interact. energy: 8.100
local terms energy: -446.501517
where:
bonds (distance) C4'-P energy: -120.188
bonds (distance) P-C4' energy: -108.144
flat angles C4'-P-C4' energy: -112.964
flat angles P-C4'-P energy: -62.761
tors. eta vs tors. theta energy: -42.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -827.222199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.222199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.222199 (E_RNA)
where:
Base-Base interactions energy: -428.893
where: short stacking energy: -229.089
Base-Backbone interact. energy: 1.062
local terms energy: -399.390990
where:
bonds (distance) C4'-P energy: -118.707
bonds (distance) P-C4' energy: -122.246
flat angles C4'-P-C4' energy: -91.922
flat angles P-C4'-P energy: -59.538
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2549.330393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.330393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.330393 (E_RNA)
where:
Base-Base interactions energy: -1750.658
where: short stacking energy: -744.409
Base-Backbone interact. energy: -3.294
local terms energy: -795.378565
where:
bonds (distance) C4'-P energy: -143.650
bonds (distance) P-C4' energy: -151.143
flat angles C4'-P-C4' energy: -163.184
flat angles P-C4'-P energy: -109.305
tors. eta vs tors. theta energy: -228.096
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: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2437.841834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.841834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.841834 (E_RNA)
where:
Base-Base interactions energy: -1678.453
where: short stacking energy: -711.161
Base-Backbone interact. energy: 0.982
local terms energy: -760.370304
where:
bonds (distance) C4'-P energy: -143.173
bonds (distance) P-C4' energy: -144.519
flat angles C4'-P-C4' energy: -161.247
flat angles P-C4'-P energy: -100.904
tors. eta vs tors. theta energy: -210.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2370.292143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.292143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.292143 (E_RNA)
where:
Base-Base interactions energy: -1640.285
where: short stacking energy: -720.276
Base-Backbone interact. energy: -0.646
local terms energy: -729.360972
where:
bonds (distance) C4'-P energy: -127.761
bonds (distance) P-C4' energy: -145.945
flat angles C4'-P-C4' energy: -158.740
flat angles P-C4'-P energy: -88.018
tors. eta vs tors. theta energy: -208.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2293.586130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.586130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.586130 (E_RNA)
where:
Base-Base interactions energy: -1600.576
where: short stacking energy: -673.286
Base-Backbone interact. energy: 0.454
local terms energy: -693.464512
where:
bonds (distance) C4'-P energy: -136.493
bonds (distance) P-C4' energy: -139.972
flat angles C4'-P-C4' energy: -145.764
flat angles P-C4'-P energy: -86.826
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: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2097.330814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.330814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.330814 (E_RNA)
where:
Base-Base interactions energy: -1433.425
where: short stacking energy: -606.384
Base-Backbone interact. energy: -6.242
local terms energy: -657.663821
where:
bonds (distance) C4'-P energy: -117.572
bonds (distance) P-C4' energy: -132.580
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -84.388
tors. eta vs tors. theta energy: -177.486
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: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1889.274845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.274845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.274845 (E_RNA)
where:
Base-Base interactions energy: -1278.523
where: short stacking energy: -563.270
Base-Backbone interact. energy: -2.209
local terms energy: -608.542222
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -138.392
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -91.814
tors. eta vs tors. theta energy: -150.575
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: 229
Temperature: 1.200000
Total energy: -1687.134211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.134211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.134211 (E_RNA)
where:
Base-Base interactions energy: -1140.013
where: short stacking energy: -523.578
Base-Backbone interact. energy: -4.310
local terms energy: -542.810431
where:
bonds (distance) C4'-P energy: -100.181
bonds (distance) P-C4' energy: -114.328
flat angles C4'-P-C4' energy: -116.356
flat angles P-C4'-P energy: -81.755
tors. eta vs tors. theta energy: -130.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1206.175398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.175398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.175398 (E_RNA)
where:
Base-Base interactions energy: -759.648
where: short stacking energy: -376.224
Base-Backbone interact. energy: 2.120
local terms energy: -448.647165
where:
bonds (distance) C4'-P energy: -106.826
bonds (distance) P-C4' energy: -119.758
flat angles C4'-P-C4' energy: -106.756
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -74.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -982.261499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.261499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.261499 (E_RNA)
where:
Base-Base interactions energy: -524.732
where: short stacking energy: -262.281
Base-Backbone interact. energy: -5.368
local terms energy: -452.161588
where:
bonds (distance) C4'-P energy: -122.827
bonds (distance) P-C4' energy: -117.847
flat angles C4'-P-C4' energy: -124.222
flat angles P-C4'-P energy: -63.809
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -912.286635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.286635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.286635 (E_RNA)
where:
Base-Base interactions energy: -522.171
where: short stacking energy: -260.384
Base-Backbone interact. energy: -0.841
local terms energy: -389.275260
where:
bonds (distance) C4'-P energy: -104.638
bonds (distance) P-C4' energy: -111.462
flat angles C4'-P-C4' energy: -113.301
flat angles P-C4'-P energy: -46.591
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2526.534754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.534754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.534754 (E_RNA)
where:
Base-Base interactions energy: -1764.648
where: short stacking energy: -761.849
Base-Backbone interact. energy: -2.345
local terms energy: -759.542058
where:
bonds (distance) C4'-P energy: -130.495
bonds (distance) P-C4' energy: -150.071
flat angles C4'-P-C4' energy: -165.742
flat angles P-C4'-P energy: -104.030
tors. eta vs tors. theta energy: -209.203
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: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2426.343335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.343335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.343335 (E_RNA)
where:
Base-Base interactions energy: -1713.579
where: short stacking energy: -727.576
Base-Backbone interact. energy: -0.078
local terms energy: -712.686448
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -160.978
flat angles P-C4'-P energy: -92.794
tors. eta vs tors. theta energy: -206.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2368.272147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.272147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.272147 (E_RNA)
where:
Base-Base interactions energy: -1628.083
where: short stacking energy: -704.967
Base-Backbone interact. energy: -2.488
local terms energy: -737.701181
where:
bonds (distance) C4'-P energy: -125.836
bonds (distance) P-C4' energy: -130.526
flat angles C4'-P-C4' energy: -158.568
flat angles P-C4'-P energy: -113.987
tors. eta vs tors. theta energy: -208.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2279.201868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.201868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.201868 (E_RNA)
where:
Base-Base interactions energy: -1596.530
where: short stacking energy: -648.910
Base-Backbone interact. energy: -1.687
local terms energy: -680.984881
where:
bonds (distance) C4'-P energy: -120.640
bonds (distance) P-C4' energy: -115.440
flat angles C4'-P-C4' energy: -159.507
flat angles P-C4'-P energy: -110.468
tors. eta vs tors. theta energy: -174.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2062.919712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.919712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.919712 (E_RNA)
where:
Base-Base interactions energy: -1403.174
where: short stacking energy: -607.680
Base-Backbone interact. energy: -1.371
local terms energy: -658.374770
where:
bonds (distance) C4'-P energy: -124.331
bonds (distance) P-C4' energy: -135.551
flat angles C4'-P-C4' energy: -135.215
flat angles P-C4'-P energy: -86.204
tors. eta vs tors. theta energy: -177.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1945.841611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.841611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.841611 (E_RNA)
where:
Base-Base interactions energy: -1343.023
where: short stacking energy: -583.425
Base-Backbone interact. energy: -2.927
local terms energy: -599.891306
where:
bonds (distance) C4'-P energy: -122.411
bonds (distance) P-C4' energy: -117.632
flat angles C4'-P-C4' energy: -126.668
flat angles P-C4'-P energy: -84.411
tors. eta vs tors. theta energy: -148.770
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: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1707.149190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.149190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.149190 (E_RNA)
where:
Base-Base interactions energy: -1123.864
where: short stacking energy: -488.768
Base-Backbone interact. energy: -1.906
local terms energy: -581.379091
where:
bonds (distance) C4'-P energy: -118.698
bonds (distance) P-C4' energy: -125.361
flat angles C4'-P-C4' energy: -142.531
flat angles P-C4'-P energy: -78.075
tors. eta vs tors. theta energy: -116.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1282.328164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.328164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.328164 (E_RNA)
where:
Base-Base interactions energy: -746.253
where: short stacking energy: -371.311
Base-Backbone interact. energy: -3.283
local terms energy: -532.791619
where:
bonds (distance) C4'-P energy: -118.343
bonds (distance) P-C4' energy: -132.568
flat angles C4'-P-C4' energy: -128.675
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -81.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -981.671497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.671497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.671497 (E_RNA)
where:
Base-Base interactions energy: -542.538
where: short stacking energy: -312.054
Base-Backbone interact. energy: 0.156
local terms energy: -439.289965
where:
bonds (distance) C4'-P energy: -120.380
bonds (distance) P-C4' energy: -118.654
flat angles C4'-P-C4' energy: -92.924
flat angles P-C4'-P energy: -72.623
tors. eta vs tors. theta energy: -34.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -911.895022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.895022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.895022 (E_RNA)
where:
Base-Base interactions energy: -507.195
where: short stacking energy: -242.713
Base-Backbone interact. energy: -0.246
local terms energy: -404.454698
where:
bonds (distance) C4'-P energy: -120.603
bonds (distance) P-C4' energy: -103.652
flat angles C4'-P-C4' energy: -108.077
flat angles P-C4'-P energy: -48.773
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2511.728016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.728016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.728016 (E_RNA)
where:
Base-Base interactions energy: -1764.789
where: short stacking energy: -740.930
Base-Backbone interact. energy: -3.655
local terms energy: -743.284235
where:
bonds (distance) C4'-P energy: -130.268
bonds (distance) P-C4' energy: -139.716
flat angles C4'-P-C4' energy: -160.912
flat angles P-C4'-P energy: -98.831
tors. eta vs tors. theta energy: -213.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2445.769876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.769876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.769876 (E_RNA)
where:
Base-Base interactions energy: -1677.480
where: short stacking energy: -739.505
Base-Backbone interact. energy: -1.814
local terms energy: -766.475921
where:
bonds (distance) C4'-P energy: -138.519
bonds (distance) P-C4' energy: -149.894
flat angles C4'-P-C4' energy: -161.963
flat angles P-C4'-P energy: -100.038
tors. eta vs tors. theta energy: -216.062
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: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2353.800974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.800974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.800974 (E_RNA)
where:
Base-Base interactions energy: -1595.799
where: short stacking energy: -714.247
Base-Backbone interact. energy: -3.804
local terms energy: -754.198418
where:
bonds (distance) C4'-P energy: -122.742
bonds (distance) P-C4' energy: -142.953
flat angles C4'-P-C4' energy: -172.821
flat angles P-C4'-P energy: -104.145
tors. eta vs tors. theta energy: -211.538
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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2313.572338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.572338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.572338 (E_RNA)
where:
Base-Base interactions energy: -1639.752
where: short stacking energy: -667.599
Base-Backbone interact. energy: -1.249
local terms energy: -672.571104
where:
bonds (distance) C4'-P energy: -131.266
bonds (distance) P-C4' energy: -115.241
flat angles C4'-P-C4' energy: -154.312
flat angles P-C4'-P energy: -78.314
tors. eta vs tors. theta energy: -193.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2048.014286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.014286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.014286 (E_RNA)
where:
Base-Base interactions energy: -1350.836
where: short stacking energy: -582.880
Base-Backbone interact. energy: -6.610
local terms energy: -690.568822
where:
bonds (distance) C4'-P energy: -125.605
bonds (distance) P-C4' energy: -155.596
flat angles C4'-P-C4' energy: -144.606
flat angles P-C4'-P energy: -106.696
tors. eta vs tors. theta energy: -158.066
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: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1953.751653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.751653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.751653 (E_RNA)
where:
Base-Base interactions energy: -1344.936
where: short stacking energy: -561.760
Base-Backbone interact. energy: -1.112
local terms energy: -607.704019
where:
bonds (distance) C4'-P energy: -124.944
bonds (distance) P-C4' energy: -121.634
flat angles C4'-P-C4' energy: -131.460
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -146.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1741.256529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.256529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.256529 (E_RNA)
where:
Base-Base interactions energy: -1183.323
where: short stacking energy: -509.444
Base-Backbone interact. energy: 4.585
local terms energy: -562.518828
where:
bonds (distance) C4'-P energy: -120.848
bonds (distance) P-C4' energy: -129.446
flat angles C4'-P-C4' energy: -118.221
flat angles P-C4'-P energy: -77.772
tors. eta vs tors. theta energy: -116.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1261.724344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.724344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.724344 (E_RNA)
where:
Base-Base interactions energy: -758.478
where: short stacking energy: -370.112
Base-Backbone interact. energy: -3.586
local terms energy: -499.659482
where:
bonds (distance) C4'-P energy: -116.700
bonds (distance) P-C4' energy: -117.913
flat angles C4'-P-C4' energy: -126.890
flat angles P-C4'-P energy: -69.193
tors. eta vs tors. theta energy: -68.964
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -932.983582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.983582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.983582 (E_RNA)
where:
Base-Base interactions energy: -521.158
where: short stacking energy: -283.985
Base-Backbone interact. energy: 0.130
local terms energy: -411.956127
where:
bonds (distance) C4'-P energy: -107.868
bonds (distance) P-C4' energy: -120.967
flat angles C4'-P-C4' energy: -108.745
flat angles P-C4'-P energy: -54.623
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -915.790955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.790955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.790955 (E_RNA)
where:
Base-Base interactions energy: -534.428
where: short stacking energy: -283.912
Base-Backbone interact. energy: -3.037
local terms energy: -378.325481
where:
bonds (distance) C4'-P energy: -102.241
bonds (distance) P-C4' energy: -100.525
flat angles C4'-P-C4' energy: -101.289
flat angles P-C4'-P energy: -49.312
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2547.852091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.852091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.852091 (E_RNA)
where:
Base-Base interactions energy: -1778.815
where: short stacking energy: -724.182
Base-Backbone interact. energy: -4.178
local terms energy: -764.858761
where:
bonds (distance) C4'-P energy: -131.830
bonds (distance) P-C4' energy: -147.563
flat angles C4'-P-C4' energy: -161.313
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -226.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2448.643964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.643964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.643964 (E_RNA)
where:
Base-Base interactions energy: -1678.939
where: short stacking energy: -734.043
Base-Backbone interact. energy: -2.610
local terms energy: -767.094649
where:
bonds (distance) C4'-P energy: -137.105
bonds (distance) P-C4' energy: -134.696
flat angles C4'-P-C4' energy: -162.803
flat angles P-C4'-P energy: -108.987
tors. eta vs tors. theta energy: -223.504
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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2378.072617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.072617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.072617 (E_RNA)
where:
Base-Base interactions energy: -1615.782
where: short stacking energy: -716.175
Base-Backbone interact. energy: -2.390
local terms energy: -759.900863
where:
bonds (distance) C4'-P energy: -142.901
bonds (distance) P-C4' energy: -132.657
flat angles C4'-P-C4' energy: -163.169
flat angles P-C4'-P energy: -96.522
tors. eta vs tors. theta energy: -224.652
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: 232
Temperature: 1.050000
Total energy: -2317.895738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.895738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.895738 (E_RNA)
where:
Base-Base interactions energy: -1614.066
where: short stacking energy: -673.995
Base-Backbone interact. energy: -2.669
local terms energy: -701.161061
where:
bonds (distance) C4'-P energy: -127.985
bonds (distance) P-C4' energy: -142.602
flat angles C4'-P-C4' energy: -148.176
flat angles P-C4'-P energy: -87.064
tors. eta vs tors. theta energy: -195.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2058.507736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.507736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.507736 (E_RNA)
where:
Base-Base interactions energy: -1387.214
where: short stacking energy: -640.384
Base-Backbone interact. energy: -2.666
local terms energy: -668.627549
where:
bonds (distance) C4'-P energy: -118.436
bonds (distance) P-C4' energy: -129.055
flat angles C4'-P-C4' energy: -139.477
flat angles P-C4'-P energy: -94.976
tors. eta vs tors. theta energy: -186.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1913.137194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.137194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.137194 (E_RNA)
where:
Base-Base interactions energy: -1319.639
where: short stacking energy: -565.918
Base-Backbone interact. energy: -0.023
local terms energy: -593.475338
where:
bonds (distance) C4'-P energy: -131.560
bonds (distance) P-C4' energy: -118.003
flat angles C4'-P-C4' energy: -127.759
flat angles P-C4'-P energy: -79.276
tors. eta vs tors. theta energy: -136.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1767.324422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.324422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.324422 (E_RNA)
where:
Base-Base interactions energy: -1185.890
where: short stacking energy: -508.559
Base-Backbone interact. energy: 4.238
local terms energy: -585.672785
where:
bonds (distance) C4'-P energy: -119.919
bonds (distance) P-C4' energy: -108.772
flat angles C4'-P-C4' energy: -138.907
flat angles P-C4'-P energy: -87.413
tors. eta vs tors. theta energy: -130.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1284.401360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.401360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.401360 (E_RNA)
where:
Base-Base interactions energy: -778.292
where: short stacking energy: -383.681
Base-Backbone interact. energy: 1.276
local terms energy: -507.385892
where:
bonds (distance) C4'-P energy: -109.370
bonds (distance) P-C4' energy: -122.716
flat angles C4'-P-C4' energy: -125.466
flat angles P-C4'-P energy: -68.281
tors. eta vs tors. theta energy: -81.554
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: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -969.713120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.713120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.713120 (E_RNA)
where:
Base-Base interactions energy: -527.842
where: short stacking energy: -258.744
Base-Backbone interact. energy: -3.342
local terms energy: -438.528843
where:
bonds (distance) C4'-P energy: -114.070
bonds (distance) P-C4' energy: -131.351
flat angles C4'-P-C4' energy: -111.003
flat angles P-C4'-P energy: -64.614
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -848.359412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.359412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.359412 (E_RNA)
where:
Base-Base interactions energy: -452.290
where: short stacking energy: -225.850
Base-Backbone interact. energy: -0.279
local terms energy: -395.790353
where:
bonds (distance) C4'-P energy: -112.869
bonds (distance) P-C4' energy: -111.609
flat angles C4'-P-C4' energy: -103.342
flat angles P-C4'-P energy: -66.235
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2511.929415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.929415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.929415 (E_RNA)
where:
Base-Base interactions energy: -1724.160
where: short stacking energy: -721.111
Base-Backbone interact. energy: -4.406
local terms energy: -783.363176
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -145.948
flat angles C4'-P-C4' energy: -160.559
flat angles P-C4'-P energy: -120.299
tors. eta vs tors. theta energy: -221.810
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: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2443.955710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.955710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.955710 (E_RNA)
where:
Base-Base interactions energy: -1685.071
where: short stacking energy: -726.173
Base-Backbone interact. energy: -2.012
local terms energy: -756.873154
where:
bonds (distance) C4'-P energy: -147.996
bonds (distance) P-C4' energy: -137.635
flat angles C4'-P-C4' energy: -145.117
flat angles P-C4'-P energy: -104.163
tors. eta vs tors. theta energy: -221.962
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: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2380.374624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.374624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.374624 (E_RNA)
where:
Base-Base interactions energy: -1646.292
where: short stacking energy: -710.091
Base-Backbone interact. energy: -2.557
local terms energy: -731.525093
where:
bonds (distance) C4'-P energy: -129.153
bonds (distance) P-C4' energy: -143.739
flat angles C4'-P-C4' energy: -147.266
flat angles P-C4'-P energy: -105.197
tors. eta vs tors. theta energy: -206.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2283.088315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.088315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.088315 (E_RNA)
where:
Base-Base interactions energy: -1669.727
where: short stacking energy: -676.495
Base-Backbone interact. energy: -1.741
local terms energy: -611.619904
where:
bonds (distance) C4'-P energy: -106.201
bonds (distance) P-C4' energy: -111.044
flat angles C4'-P-C4' energy: -133.133
flat angles P-C4'-P energy: -90.605
tors. eta vs tors. theta energy: -170.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2106.148955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.148955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.148955 (E_RNA)
where:
Base-Base interactions energy: -1421.624
where: short stacking energy: -611.309
Base-Backbone interact. energy: -3.605
local terms energy: -680.920056
where:
bonds (distance) C4'-P energy: -112.570
bonds (distance) P-C4' energy: -135.132
flat angles C4'-P-C4' energy: -150.334
flat angles P-C4'-P energy: -96.106
tors. eta vs tors. theta energy: -186.779
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: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1895.579391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.579391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.579391 (E_RNA)
where:
Base-Base interactions energy: -1262.852
where: short stacking energy: -568.721
Base-Backbone interact. energy: -3.669
local terms energy: -629.058777
where:
bonds (distance) C4'-P energy: -120.054
bonds (distance) P-C4' energy: -134.156
flat angles C4'-P-C4' energy: -144.288
flat angles P-C4'-P energy: -65.510
tors. eta vs tors. theta energy: -165.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1744.945419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.945419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.945419 (E_RNA)
where:
Base-Base interactions energy: -1191.406
where: short stacking energy: -499.446
Base-Backbone interact. energy: 3.092
local terms energy: -556.631027
where:
bonds (distance) C4'-P energy: -123.011
bonds (distance) P-C4' energy: -119.810
flat angles C4'-P-C4' energy: -128.183
flat angles P-C4'-P energy: -76.064
tors. eta vs tors. theta energy: -109.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1262.753972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.753972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.753972 (E_RNA)
where:
Base-Base interactions energy: -756.697
where: short stacking energy: -364.576
Base-Backbone interact. energy: 3.812
local terms energy: -509.868385
where:
bonds (distance) C4'-P energy: -137.609
bonds (distance) P-C4' energy: -109.180
flat angles C4'-P-C4' energy: -114.008
flat angles P-C4'-P energy: -77.574
tors. eta vs tors. theta energy: -71.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -939.674545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.674545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.674545 (E_RNA)
where:
Base-Base interactions energy: -521.190
where: short stacking energy: -270.081
Base-Backbone interact. energy: -3.991
local terms energy: -414.494280
where:
bonds (distance) C4'-P energy: -101.546
bonds (distance) P-C4' energy: -119.350
flat angles C4'-P-C4' energy: -105.032
flat angles P-C4'-P energy: -58.952
tors. eta vs tors. theta energy: -29.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -881.272504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.272504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.272504 (E_RNA)
where:
Base-Base interactions energy: -471.429
where: short stacking energy: -257.267
Base-Backbone interact. energy: 0.305
local terms energy: -410.149064
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -100.400
flat angles C4'-P-C4' energy: -110.259
flat angles P-C4'-P energy: -65.540
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2497.345145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.345145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.345145 (E_RNA)
where:
Base-Base interactions energy: -1717.837
where: short stacking energy: -749.238
Base-Backbone interact. energy: -4.193
local terms energy: -775.315532
where:
bonds (distance) C4'-P energy: -158.476
bonds (distance) P-C4' energy: -144.008
flat angles C4'-P-C4' energy: -153.077
flat angles P-C4'-P energy: -103.997
tors. eta vs tors. theta energy: -215.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2453.988303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.988303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.988303 (E_RNA)
where:
Base-Base interactions energy: -1696.470
where: short stacking energy: -734.669
Base-Backbone interact. energy: -1.463
local terms energy: -756.055992
where:
bonds (distance) C4'-P energy: -137.167
bonds (distance) P-C4' energy: -139.763
flat angles C4'-P-C4' energy: -153.270
flat angles P-C4'-P energy: -104.489
tors. eta vs tors. theta energy: -221.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2384.044641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.044641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.044641 (E_RNA)
where:
Base-Base interactions energy: -1682.064
where: short stacking energy: -738.479
Base-Backbone interact. energy: -1.966
local terms energy: -700.015261
where:
bonds (distance) C4'-P energy: -127.494
bonds (distance) P-C4' energy: -127.720
flat angles C4'-P-C4' energy: -145.569
flat angles P-C4'-P energy: -93.731
tors. eta vs tors. theta energy: -205.501
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: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2287.974351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.974351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.974351 (E_RNA)
where:
Base-Base interactions energy: -1596.395
where: short stacking energy: -638.153
Base-Backbone interact. energy: -0.295
local terms energy: -691.284463
where:
bonds (distance) C4'-P energy: -127.250
bonds (distance) P-C4' energy: -142.106
flat angles C4'-P-C4' energy: -148.441
flat angles P-C4'-P energy: -90.532
tors. eta vs tors. theta energy: -182.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2061.492724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.492724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.492724 (E_RNA)
where:
Base-Base interactions energy: -1406.136
where: short stacking energy: -601.653
Base-Backbone interact. energy: -2.547
local terms energy: -652.809923
where:
bonds (distance) C4'-P energy: -119.139
bonds (distance) P-C4' energy: -135.238
flat angles C4'-P-C4' energy: -140.825
flat angles P-C4'-P energy: -85.277
tors. eta vs tors. theta energy: -172.332
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: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1914.014621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.014621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.014621 (E_RNA)
where:
Base-Base interactions energy: -1290.527
where: short stacking energy: -564.897
Base-Backbone interact. energy: 0.954
local terms energy: -624.442276
where:
bonds (distance) C4'-P energy: -120.378
bonds (distance) P-C4' energy: -122.934
flat angles C4'-P-C4' energy: -142.379
flat angles P-C4'-P energy: -88.056
tors. eta vs tors. theta energy: -150.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1745.604766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.604766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.604766 (E_RNA)
where:
Base-Base interactions energy: -1167.655
where: short stacking energy: -503.537
Base-Backbone interact. energy: -2.222
local terms energy: -575.727249
where:
bonds (distance) C4'-P energy: -103.494
bonds (distance) P-C4' energy: -123.061
flat angles C4'-P-C4' energy: -133.300
flat angles P-C4'-P energy: -86.267
tors. eta vs tors. theta energy: -129.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1316.175790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.175790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.175790 (E_RNA)
where:
Base-Base interactions energy: -838.795
where: short stacking energy: -377.436
Base-Backbone interact. energy: 0.631
local terms energy: -478.011267
where:
bonds (distance) C4'-P energy: -107.604
bonds (distance) P-C4' energy: -123.674
flat angles C4'-P-C4' energy: -107.607
flat angles P-C4'-P energy: -64.588
tors. eta vs tors. theta energy: -74.538
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: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -943.481363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.481363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.481363 (E_RNA)
where:
Base-Base interactions energy: -535.496
where: short stacking energy: -292.943
Base-Backbone interact. energy: -1.100
local terms energy: -406.885338
where:
bonds (distance) C4'-P energy: -101.157
bonds (distance) P-C4' energy: -113.706
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -57.881
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -866.490430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.490430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.490430 (E_RNA)
where:
Base-Base interactions energy: -426.763
where: short stacking energy: -239.662
Base-Backbone interact. energy: 2.479
local terms energy: -442.206348
where:
bonds (distance) C4'-P energy: -113.312
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -102.112
flat angles P-C4'-P energy: -71.534
tors. eta vs tors. theta energy: -27.100
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: 235
Temperature: 0.900000
Total energy: -2505.172360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.172360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.172360 (E_RNA)
where:
Base-Base interactions energy: -1725.454
where: short stacking energy: -751.873
Base-Backbone interact. energy: 0.772
local terms energy: -780.489913
where:
bonds (distance) C4'-P energy: -133.495
bonds (distance) P-C4' energy: -147.741
flat angles C4'-P-C4' energy: -164.383
flat angles P-C4'-P energy: -118.454
tors. eta vs tors. theta energy: -216.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2471.284334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.284334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.284334 (E_RNA)
where:
Base-Base interactions energy: -1699.950
where: short stacking energy: -721.077
Base-Backbone interact. energy: -5.916
local terms energy: -765.419137
where:
bonds (distance) C4'-P energy: -138.172
bonds (distance) P-C4' energy: -143.450
flat angles C4'-P-C4' energy: -143.260
flat angles P-C4'-P energy: -109.527
tors. eta vs tors. theta energy: -231.010
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: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2362.483195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.483195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.483195 (E_RNA)
where:
Base-Base interactions energy: -1639.809
where: short stacking energy: -679.438
Base-Backbone interact. energy: -2.604
local terms energy: -720.070847
where:
bonds (distance) C4'-P energy: -118.716
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -155.859
flat angles P-C4'-P energy: -104.150
tors. eta vs tors. theta energy: -212.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2315.390318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.390318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.390318 (E_RNA)
where:
Base-Base interactions energy: -1602.990
where: short stacking energy: -654.018
Base-Backbone interact. energy: -2.547
local terms energy: -709.853414
where:
bonds (distance) C4'-P energy: -123.677
bonds (distance) P-C4' energy: -121.067
flat angles C4'-P-C4' energy: -169.698
flat angles P-C4'-P energy: -103.885
tors. eta vs tors. theta energy: -191.527
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: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2040.849103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.849103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.849103 (E_RNA)
where:
Base-Base interactions energy: -1349.788
where: short stacking energy: -610.666
Base-Backbone interact. energy: -3.912
local terms energy: -687.148926
where:
bonds (distance) C4'-P energy: -131.549
bonds (distance) P-C4' energy: -140.526
flat angles C4'-P-C4' energy: -136.630
flat angles P-C4'-P energy: -92.688
tors. eta vs tors. theta energy: -185.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1902.565247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.565247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.565247 (E_RNA)
where:
Base-Base interactions energy: -1292.145
where: short stacking energy: -562.852
Base-Backbone interact. energy: -2.100
local terms energy: -608.320544
where:
bonds (distance) C4'-P energy: -111.450
bonds (distance) P-C4' energy: -124.833
flat angles C4'-P-C4' energy: -128.092
flat angles P-C4'-P energy: -88.151
tors. eta vs tors. theta energy: -155.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1700.198861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.198861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.198861 (E_RNA)
where:
Base-Base interactions energy: -1106.463
where: short stacking energy: -495.602
Base-Backbone interact. energy: 0.138
local terms energy: -593.873299
where:
bonds (distance) C4'-P energy: -133.556
bonds (distance) P-C4' energy: -118.048
flat angles C4'-P-C4' energy: -132.699
flat angles P-C4'-P energy: -92.588
tors. eta vs tors. theta energy: -116.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1334.834860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.834860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.834860 (E_RNA)
where:
Base-Base interactions energy: -823.204
where: short stacking energy: -357.001
Base-Backbone interact. energy: 0.383
local terms energy: -512.013660
where:
bonds (distance) C4'-P energy: -115.319
bonds (distance) P-C4' energy: -119.974
flat angles C4'-P-C4' energy: -124.992
flat angles P-C4'-P energy: -83.609
tors. eta vs tors. theta energy: -68.119
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: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -911.576913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.576913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.576913 (E_RNA)
where:
Base-Base interactions energy: -504.577
where: short stacking energy: -259.113
Base-Backbone interact. energy: -2.332
local terms energy: -404.668845
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -113.651
flat angles C4'-P-C4' energy: -105.068
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -895.772057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.772057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.772057 (E_RNA)
where:
Base-Base interactions energy: -489.390
where: short stacking energy: -241.685
Base-Backbone interact. energy: -0.270
local terms energy: -406.111595
where:
bonds (distance) C4'-P energy: -106.511
bonds (distance) P-C4' energy: -112.995
flat angles C4'-P-C4' energy: -90.036
flat angles P-C4'-P energy: -72.554
tors. eta vs tors. theta energy: -24.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2530.523737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.523737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.523737 (E_RNA)
where:
Base-Base interactions energy: -1732.941
where: short stacking energy: -744.253
Base-Backbone interact. energy: 0.808
local terms energy: -798.390284
where:
bonds (distance) C4'-P energy: -136.899
bonds (distance) P-C4' energy: -154.182
flat angles C4'-P-C4' energy: -169.572
flat angles P-C4'-P energy: -115.879
tors. eta vs tors. theta energy: -221.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2454.156883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.156883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.156883 (E_RNA)
where:
Base-Base interactions energy: -1686.329
where: short stacking energy: -719.491
Base-Backbone interact. energy: -1.982
local terms energy: -765.846138
where:
bonds (distance) C4'-P energy: -123.918
bonds (distance) P-C4' energy: -144.497
flat angles C4'-P-C4' energy: -176.033
flat angles P-C4'-P energy: -100.570
tors. eta vs tors. theta energy: -220.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2357.146496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.146496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.146496 (E_RNA)
where:
Base-Base interactions energy: -1642.735
where: short stacking energy: -684.458
Base-Backbone interact. energy: -0.786
local terms energy: -713.624779
where:
bonds (distance) C4'-P energy: -126.665
bonds (distance) P-C4' energy: -126.319
flat angles C4'-P-C4' energy: -165.485
flat angles P-C4'-P energy: -99.489
tors. eta vs tors. theta energy: -195.667
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: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2297.510237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.510237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.510237 (E_RNA)
where:
Base-Base interactions energy: -1601.361
where: short stacking energy: -688.124
Base-Backbone interact. energy: -0.591
local terms energy: -695.557742
where:
bonds (distance) C4'-P energy: -124.009
bonds (distance) P-C4' energy: -127.430
flat angles C4'-P-C4' energy: -145.318
flat angles P-C4'-P energy: -103.668
tors. eta vs tors. theta energy: -195.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2048.991378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.991378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.991378 (E_RNA)
where:
Base-Base interactions energy: -1367.864
where: short stacking energy: -623.205
Base-Backbone interact. energy: 0.745
local terms energy: -681.872981
where:
bonds (distance) C4'-P energy: -120.384
bonds (distance) P-C4' energy: -123.523
flat angles C4'-P-C4' energy: -164.875
flat angles P-C4'-P energy: -79.036
tors. eta vs tors. theta energy: -194.055
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: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1905.060459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.060459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.060459 (E_RNA)
where:
Base-Base interactions energy: -1323.715
where: short stacking energy: -551.217
Base-Backbone interact. energy: -2.397
local terms energy: -578.948680
where:
bonds (distance) C4'-P energy: -137.052
bonds (distance) P-C4' energy: -118.134
flat angles C4'-P-C4' energy: -128.750
flat angles P-C4'-P energy: -55.006
tors. eta vs tors. theta energy: -140.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1676.183281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.183281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.183281 (E_RNA)
where:
Base-Base interactions energy: -1103.718
where: short stacking energy: -460.283
Base-Backbone interact. energy: -0.886
local terms energy: -571.579755
where:
bonds (distance) C4'-P energy: -129.282
bonds (distance) P-C4' energy: -115.259
flat angles C4'-P-C4' energy: -145.844
flat angles P-C4'-P energy: -81.599
tors. eta vs tors. theta energy: -99.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1373.333290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.333290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.333290 (E_RNA)
where:
Base-Base interactions energy: -880.618
where: short stacking energy: -416.795
Base-Backbone interact. energy: 3.583
local terms energy: -496.298541
where:
bonds (distance) C4'-P energy: -112.089
bonds (distance) P-C4' energy: -122.721
flat angles C4'-P-C4' energy: -118.026
flat angles P-C4'-P energy: -60.209
tors. eta vs tors. theta energy: -83.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -954.424386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.424386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.424386 (E_RNA)
where:
Base-Base interactions energy: -527.580
where: short stacking energy: -268.777
Base-Backbone interact. energy: -2.875
local terms energy: -423.969603
where:
bonds (distance) C4'-P energy: -105.142
bonds (distance) P-C4' energy: -118.190
flat angles C4'-P-C4' energy: -116.277
flat angles P-C4'-P energy: -66.937
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -882.441900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.441900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.441900 (E_RNA)
where:
Base-Base interactions energy: -468.459
where: short stacking energy: -244.070
Base-Backbone interact. energy: 1.649
local terms energy: -415.632280
where:
bonds (distance) C4'-P energy: -124.795
bonds (distance) P-C4' energy: -128.120
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2558.190534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.190534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.190534 (E_RNA)
where:
Base-Base interactions energy: -1798.342
where: short stacking energy: -747.227
Base-Backbone interact. energy: -2.803
local terms energy: -757.045606
where:
bonds (distance) C4'-P energy: -146.405
bonds (distance) P-C4' energy: -120.001
flat angles C4'-P-C4' energy: -169.048
flat angles P-C4'-P energy: -106.207
tors. eta vs tors. theta energy: -215.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2440.178029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.178029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.178029 (E_RNA)
where:
Base-Base interactions energy: -1688.824
where: short stacking energy: -758.705
Base-Backbone interact. energy: -3.351
local terms energy: -748.003818
where:
bonds (distance) C4'-P energy: -123.720
bonds (distance) P-C4' energy: -147.378
flat angles C4'-P-C4' energy: -150.530
flat angles P-C4'-P energy: -92.862
tors. eta vs tors. theta energy: -233.514
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2374.683371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.683371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.683371 (E_RNA)
where:
Base-Base interactions energy: -1660.740
where: short stacking energy: -695.208
Base-Backbone interact. energy: 0.621
local terms energy: -714.564817
where:
bonds (distance) C4'-P energy: -135.521
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -150.885
flat angles P-C4'-P energy: -108.347
tors. eta vs tors. theta energy: -195.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2290.315504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.315504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.315504 (E_RNA)
where:
Base-Base interactions energy: -1557.192
where: short stacking energy: -689.837
Base-Backbone interact. energy: -2.998
local terms energy: -730.124878
where:
bonds (distance) C4'-P energy: -144.572
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -158.342
flat angles P-C4'-P energy: -97.657
tors. eta vs tors. theta energy: -203.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2073.333335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.333335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.333335 (E_RNA)
where:
Base-Base interactions energy: -1409.603
where: short stacking energy: -621.796
Base-Backbone interact. energy: 0.701
local terms energy: -664.431202
where:
bonds (distance) C4'-P energy: -122.912
bonds (distance) P-C4' energy: -130.054
flat angles C4'-P-C4' energy: -140.696
flat angles P-C4'-P energy: -88.922
tors. eta vs tors. theta energy: -181.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1935.105297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.105297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.105297 (E_RNA)
where:
Base-Base interactions energy: -1301.646
where: short stacking energy: -560.749
Base-Backbone interact. energy: 1.523
local terms energy: -634.982555
where:
bonds (distance) C4'-P energy: -133.982
bonds (distance) P-C4' energy: -129.855
flat angles C4'-P-C4' energy: -132.091
flat angles P-C4'-P energy: -90.623
tors. eta vs tors. theta energy: -148.431
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: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1631.902240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.902240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.902240 (E_RNA)
where:
Base-Base interactions energy: -1088.722
where: short stacking energy: -498.218
Base-Backbone interact. energy: 2.148
local terms energy: -545.328480
where:
bonds (distance) C4'-P energy: -129.025
bonds (distance) P-C4' energy: -106.604
flat angles C4'-P-C4' energy: -124.910
flat angles P-C4'-P energy: -71.197
tors. eta vs tors. theta energy: -113.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1389.829159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.829159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.829159 (E_RNA)
where:
Base-Base interactions energy: -883.903
where: short stacking energy: -411.054
Base-Backbone interact. energy: 6.330
local terms energy: -512.255847
where:
bonds (distance) C4'-P energy: -113.969
bonds (distance) P-C4' energy: -118.616
flat angles C4'-P-C4' energy: -124.490
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -81.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -964.948304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.948304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.948304 (E_RNA)
where:
Base-Base interactions energy: -544.654
where: short stacking energy: -275.958
Base-Backbone interact. energy: 10.884
local terms energy: -431.178703
where:
bonds (distance) C4'-P energy: -116.104
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -111.097
flat angles P-C4'-P energy: -68.736
tors. eta vs tors. theta energy: -28.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -880.384654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.384654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.384654 (E_RNA)
where:
Base-Base interactions energy: -503.663
where: short stacking energy: -265.626
Base-Backbone interact. energy: 2.024
local terms energy: -378.745480
where:
bonds (distance) C4'-P energy: -75.048
bonds (distance) P-C4' energy: -128.345
flat angles C4'-P-C4' energy: -90.221
flat angles P-C4'-P energy: -72.144
tors. eta vs tors. theta energy: -12.988
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: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2524.165364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.165364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.165364 (E_RNA)
where:
Base-Base interactions energy: -1759.948
where: short stacking energy: -745.688
Base-Backbone interact. energy: 0.069
local terms energy: -764.286245
where:
bonds (distance) C4'-P energy: -135.209
bonds (distance) P-C4' energy: -131.200
flat angles C4'-P-C4' energy: -160.480
flat angles P-C4'-P energy: -119.958
tors. eta vs tors. theta energy: -217.439
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: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2464.511989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.511989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.511989 (E_RNA)
where:
Base-Base interactions energy: -1705.309
where: short stacking energy: -729.121
Base-Backbone interact. energy: -3.648
local terms energy: -755.555089
where:
bonds (distance) C4'-P energy: -150.355
bonds (distance) P-C4' energy: -124.025
flat angles C4'-P-C4' energy: -159.957
flat angles P-C4'-P energy: -101.515
tors. eta vs tors. theta energy: -219.703
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: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2414.733762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.733762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.733762 (E_RNA)
where:
Base-Base interactions energy: -1646.368
where: short stacking energy: -731.389
Base-Backbone interact. energy: -3.402
local terms energy: -764.964114
where:
bonds (distance) C4'-P energy: -142.182
bonds (distance) P-C4' energy: -138.290
flat angles C4'-P-C4' energy: -156.493
flat angles P-C4'-P energy: -100.111
tors. eta vs tors. theta energy: -227.888
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: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2298.892616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.892616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.892616 (E_RNA)
where:
Base-Base interactions energy: -1594.543
where: short stacking energy: -666.258
Base-Backbone interact. energy: -1.294
local terms energy: -703.055368
where:
bonds (distance) C4'-P energy: -145.505
bonds (distance) P-C4' energy: -116.799
flat angles C4'-P-C4' energy: -146.583
flat angles P-C4'-P energy: -103.057
tors. eta vs tors. theta energy: -191.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2082.196932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.196932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.196932 (E_RNA)
where:
Base-Base interactions energy: -1414.797
where: short stacking energy: -632.465
Base-Backbone interact. energy: -2.337
local terms energy: -665.062173
where:
bonds (distance) C4'-P energy: -119.114
bonds (distance) P-C4' energy: -128.976
flat angles C4'-P-C4' energy: -157.475
flat angles P-C4'-P energy: -74.736
tors. eta vs tors. theta energy: -184.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1955.130970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.130970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.130970 (E_RNA)
where:
Base-Base interactions energy: -1302.376
where: short stacking energy: -585.199
Base-Backbone interact. energy: -3.323
local terms energy: -649.431745
where:
bonds (distance) C4'-P energy: -120.229
bonds (distance) P-C4' energy: -124.247
flat angles C4'-P-C4' energy: -150.747
flat angles P-C4'-P energy: -99.585
tors. eta vs tors. theta energy: -154.624
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: 238
Temperature: 1.200000
Total energy: -1716.175747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.175747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.175747 (E_RNA)
where:
Base-Base interactions energy: -1137.508
where: short stacking energy: -508.769
Base-Backbone interact. energy: 0.976
local terms energy: -579.643818
where:
bonds (distance) C4'-P energy: -127.830
bonds (distance) P-C4' energy: -120.440
flat angles C4'-P-C4' energy: -128.364
flat angles P-C4'-P energy: -77.314
tors. eta vs tors. theta energy: -125.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1363.220754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.220754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.220754 (E_RNA)
where:
Base-Base interactions energy: -856.142
where: short stacking energy: -407.524
Base-Backbone interact. energy: 0.659
local terms energy: -507.737715
where:
bonds (distance) C4'-P energy: -119.570
bonds (distance) P-C4' energy: -119.315
flat angles C4'-P-C4' energy: -119.292
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -82.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -964.870365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.870365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.870365 (E_RNA)
where:
Base-Base interactions energy: -579.283
where: short stacking energy: -257.866
Base-Backbone interact. energy: -2.609
local terms energy: -382.978039
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -111.175
flat angles C4'-P-C4' energy: -85.461
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: -30.626
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: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -865.286783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.286783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.286783 (E_RNA)
where:
Base-Base interactions energy: -468.024
where: short stacking energy: -259.043
Base-Backbone interact. energy: -3.769
local terms energy: -393.493811
where:
bonds (distance) C4'-P energy: -112.353
bonds (distance) P-C4' energy: -116.565
flat angles C4'-P-C4' energy: -111.118
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2498.111446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.111446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.111446 (E_RNA)
where:
Base-Base interactions energy: -1721.761
where: short stacking energy: -739.147
Base-Backbone interact. energy: -5.409
local terms energy: -770.941468
where:
bonds (distance) C4'-P energy: -134.490
bonds (distance) P-C4' energy: -143.844
flat angles C4'-P-C4' energy: -157.701
flat angles P-C4'-P energy: -115.374
tors. eta vs tors. theta energy: -219.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2484.725799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.725799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.725799 (E_RNA)
where:
Base-Base interactions energy: -1699.881
where: short stacking energy: -752.590
Base-Backbone interact. energy: -2.571
local terms energy: -782.273803
where:
bonds (distance) C4'-P energy: -134.727
bonds (distance) P-C4' energy: -148.461
flat angles C4'-P-C4' energy: -159.238
flat angles P-C4'-P energy: -106.985
tors. eta vs tors. theta energy: -232.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2378.181546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.181546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.181546 (E_RNA)
where:
Base-Base interactions energy: -1643.933
where: short stacking energy: -728.609
Base-Backbone interact. energy: -1.200
local terms energy: -733.049371
where:
bonds (distance) C4'-P energy: -127.044
bonds (distance) P-C4' energy: -133.671
flat angles C4'-P-C4' energy: -157.861
flat angles P-C4'-P energy: -98.563
tors. eta vs tors. theta energy: -215.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2260.818060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.818060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.818060 (E_RNA)
where:
Base-Base interactions energy: -1558.804
where: short stacking energy: -639.775
Base-Backbone interact. energy: -1.612
local terms energy: -700.402504
where:
bonds (distance) C4'-P energy: -136.682
bonds (distance) P-C4' energy: -140.461
flat angles C4'-P-C4' energy: -159.247
flat angles P-C4'-P energy: -87.516
tors. eta vs tors. theta energy: -176.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2026.235699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.235699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.235699 (E_RNA)
where:
Base-Base interactions energy: -1375.744
where: short stacking energy: -600.638
Base-Backbone interact. energy: -6.878
local terms energy: -643.613490
where:
bonds (distance) C4'-P energy: -115.559
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -140.689
flat angles P-C4'-P energy: -104.113
tors. eta vs tors. theta energy: -180.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1965.742124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.742124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.742124 (E_RNA)
where:
Base-Base interactions energy: -1324.840
where: short stacking energy: -580.030
Base-Backbone interact. energy: -3.427
local terms energy: -637.475337
where:
bonds (distance) C4'-P energy: -114.301
bonds (distance) P-C4' energy: -131.352
flat angles C4'-P-C4' energy: -139.700
flat angles P-C4'-P energy: -99.840
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: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1721.895354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.895354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.895354 (E_RNA)
where:
Base-Base interactions energy: -1177.301
where: short stacking energy: -504.715
Base-Backbone interact. energy: -3.635
local terms energy: -540.959678
where:
bonds (distance) C4'-P energy: -105.975
bonds (distance) P-C4' energy: -115.767
flat angles C4'-P-C4' energy: -114.298
flat angles P-C4'-P energy: -78.141
tors. eta vs tors. theta energy: -126.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1338.358689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.358689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.358689 (E_RNA)
where:
Base-Base interactions energy: -822.818
where: short stacking energy: -372.398
Base-Backbone interact. energy: 2.743
local terms energy: -518.283649
where:
bonds (distance) C4'-P energy: -123.809
bonds (distance) P-C4' energy: -116.672
flat angles C4'-P-C4' energy: -121.992
flat angles P-C4'-P energy: -68.200
tors. eta vs tors. theta energy: -87.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -987.169829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.169829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.169829 (E_RNA)
where:
Base-Base interactions energy: -550.359
where: short stacking energy: -293.739
Base-Backbone interact. energy: 8.410
local terms energy: -445.220272
where:
bonds (distance) C4'-P energy: -132.288
bonds (distance) P-C4' energy: -110.350
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -786.074356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.074356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.074356 (E_RNA)
where:
Base-Base interactions energy: -386.445
where: short stacking energy: -221.984
Base-Backbone interact. energy: 9.809
local terms energy: -409.438299
where:
bonds (distance) C4'-P energy: -111.725
bonds (distance) P-C4' energy: -136.961
flat angles C4'-P-C4' energy: -103.766
flat angles P-C4'-P energy: -56.638
tors. eta vs tors. theta energy: -0.349
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: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2501.720065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.720065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.720065 (E_RNA)
where:
Base-Base interactions energy: -1711.761
where: short stacking energy: -737.778
Base-Backbone interact. energy: -5.904
local terms energy: -784.055138
where:
bonds (distance) C4'-P energy: -143.841
bonds (distance) P-C4' energy: -150.627
flat angles C4'-P-C4' energy: -162.133
flat angles P-C4'-P energy: -108.155
tors. eta vs tors. theta energy: -219.299
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2456.758011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.758011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.758011 (E_RNA)
where:
Base-Base interactions energy: -1698.418
where: short stacking energy: -734.290
Base-Backbone interact. energy: -4.241
local terms energy: -754.099374
where:
bonds (distance) C4'-P energy: -134.939
bonds (distance) P-C4' energy: -143.417
flat angles C4'-P-C4' energy: -152.895
flat angles P-C4'-P energy: -106.343
tors. eta vs tors. theta energy: -216.505
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: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2347.672542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.672542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.672542 (E_RNA)
where:
Base-Base interactions energy: -1617.952
where: short stacking energy: -722.334
Base-Backbone interact. energy: -3.791
local terms energy: -725.929891
where:
bonds (distance) C4'-P energy: -120.851
bonds (distance) P-C4' energy: -132.521
flat angles C4'-P-C4' energy: -161.811
flat angles P-C4'-P energy: -95.311
tors. eta vs tors. theta energy: -215.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2266.300606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.300606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.300606 (E_RNA)
where:
Base-Base interactions energy: -1590.328
where: short stacking energy: -653.334
Base-Backbone interact. energy: -1.877
local terms energy: -674.095210
where:
bonds (distance) C4'-P energy: -130.378
bonds (distance) P-C4' energy: -128.061
flat angles C4'-P-C4' energy: -152.505
flat angles P-C4'-P energy: -84.614
tors. eta vs tors. theta energy: -178.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1979.538589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.538589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.538589 (E_RNA)
where:
Base-Base interactions energy: -1341.827
where: short stacking energy: -589.916
Base-Backbone interact. energy: -1.328
local terms energy: -636.383633
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -115.357
flat angles C4'-P-C4' energy: -139.103
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -171.434
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: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1952.138726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.138726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.138726 (E_RNA)
where:
Base-Base interactions energy: -1345.947
where: short stacking energy: -599.005
Base-Backbone interact. energy: -1.241
local terms energy: -604.950943
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -131.068
flat angles C4'-P-C4' energy: -139.579
flat angles P-C4'-P energy: -86.639
tors. eta vs tors. theta energy: -154.519
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: 240
Temperature: 1.200000
Total energy: -1766.767197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.767197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.767197 (E_RNA)
where:
Base-Base interactions energy: -1178.736
where: short stacking energy: -503.777
Base-Backbone interact. energy: -5.541
local terms energy: -582.489879
where:
bonds (distance) C4'-P energy: -114.538
bonds (distance) P-C4' energy: -123.021
flat angles C4'-P-C4' energy: -140.343
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -117.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1431.599683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.599683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.599683 (E_RNA)
where:
Base-Base interactions energy: -902.147
where: short stacking energy: -414.708
Base-Backbone interact. energy: -2.666
local terms energy: -526.786850
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -122.280
flat angles C4'-P-C4' energy: -117.000
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -105.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -951.032103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.032103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.032103 (E_RNA)
where:
Base-Base interactions energy: -524.757
where: short stacking energy: -273.175
Base-Backbone interact. energy: 2.866
local terms energy: -429.141483
where:
bonds (distance) C4'-P energy: -106.487
bonds (distance) P-C4' energy: -136.225
flat angles C4'-P-C4' energy: -98.574
flat angles P-C4'-P energy: -65.575
tors. eta vs tors. theta energy: -22.280
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: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -867.739252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.739252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.739252 (E_RNA)
where:
Base-Base interactions energy: -481.105
where: short stacking energy: -258.970
Base-Backbone interact. energy: 1.515
local terms energy: -388.149201
where:
bonds (distance) C4'-P energy: -125.909
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -88.888
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -15.516
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: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2524.927795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.927795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.927795 (E_RNA)
where:
Base-Base interactions energy: -1740.806
where: short stacking energy: -740.371
Base-Backbone interact. energy: -2.679
local terms energy: -781.443086
where:
bonds (distance) C4'-P energy: -146.699
bonds (distance) P-C4' energy: -137.532
flat angles C4'-P-C4' energy: -163.460
flat angles P-C4'-P energy: -107.928
tors. eta vs tors. theta energy: -225.824
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: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2489.682885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.682885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.682885 (E_RNA)
where:
Base-Base interactions energy: -1725.057
where: short stacking energy: -739.480
Base-Backbone interact. energy: 0.673
local terms energy: -765.298314
where:
bonds (distance) C4'-P energy: -152.655
bonds (distance) P-C4' energy: -139.870
flat angles C4'-P-C4' energy: -156.812
flat angles P-C4'-P energy: -98.274
tors. eta vs tors. theta energy: -217.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2381.606238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.606238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.606238 (E_RNA)
where:
Base-Base interactions energy: -1640.542
where: short stacking energy: -687.336
Base-Backbone interact. energy: -3.029
local terms energy: -738.035398
where:
bonds (distance) C4'-P energy: -124.565
bonds (distance) P-C4' energy: -141.417
flat angles C4'-P-C4' energy: -149.218
flat angles P-C4'-P energy: -99.542
tors. eta vs tors. theta energy: -223.294
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: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2272.130269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.130269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.130269 (E_RNA)
where:
Base-Base interactions energy: -1587.033
where: short stacking energy: -625.333
Base-Backbone interact. energy: 4.160
local terms energy: -689.257721
where:
bonds (distance) C4'-P energy: -130.157
bonds (distance) P-C4' energy: -134.039
flat angles C4'-P-C4' energy: -145.801
flat angles P-C4'-P energy: -104.154
tors. eta vs tors. theta energy: -175.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2001.179954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.179954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.179954 (E_RNA)
where:
Base-Base interactions energy: -1359.712
where: short stacking energy: -612.184
Base-Backbone interact. energy: -3.711
local terms energy: -637.756769
where:
bonds (distance) C4'-P energy: -115.067
bonds (distance) P-C4' energy: -128.791
flat angles C4'-P-C4' energy: -145.229
flat angles P-C4'-P energy: -83.865
tors. eta vs tors. theta energy: -164.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1891.232481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.232481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.232481 (E_RNA)
where:
Base-Base interactions energy: -1295.227
where: short stacking energy: -559.035
Base-Backbone interact. energy: -1.902
local terms energy: -594.103633
where:
bonds (distance) C4'-P energy: -112.371
bonds (distance) P-C4' energy: -128.904
flat angles C4'-P-C4' energy: -129.983
flat angles P-C4'-P energy: -77.086
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: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1762.713568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.713568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.713568 (E_RNA)
where:
Base-Base interactions energy: -1173.491
where: short stacking energy: -522.714
Base-Backbone interact. energy: 0.006
local terms energy: -589.229393
where:
bonds (distance) C4'-P energy: -107.143
bonds (distance) P-C4' energy: -132.989
flat angles C4'-P-C4' energy: -131.996
flat angles P-C4'-P energy: -91.640
tors. eta vs tors. theta energy: -125.461
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: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1423.898349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.898349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.898349 (E_RNA)
where:
Base-Base interactions energy: -932.361
where: short stacking energy: -411.007
Base-Backbone interact. energy: 3.354
local terms energy: -494.892107
where:
bonds (distance) C4'-P energy: -104.950
bonds (distance) P-C4' energy: -114.853
flat angles C4'-P-C4' energy: -129.079
flat angles P-C4'-P energy: -53.275
tors. eta vs tors. theta energy: -92.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -958.617576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.617576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.617576 (E_RNA)
where:
Base-Base interactions energy: -501.286
where: short stacking energy: -258.168
Base-Backbone interact. energy: 2.021
local terms energy: -459.351766
where:
bonds (distance) C4'-P energy: -130.198
bonds (distance) P-C4' energy: -110.861
flat angles C4'-P-C4' energy: -121.114
flat angles P-C4'-P energy: -68.074
tors. eta vs tors. theta energy: -29.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -835.818021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.818021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.818021 (E_RNA)
where:
Base-Base interactions energy: -465.049
where: short stacking energy: -236.556
Base-Backbone interact. energy: -1.144
local terms energy: -369.625231
where:
bonds (distance) C4'-P energy: -96.614
bonds (distance) P-C4' energy: -113.060
flat angles C4'-P-C4' energy: -101.149
flat angles P-C4'-P energy: -62.421
tors. eta vs tors. theta energy: 3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2523.899535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.899535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.899535 (E_RNA)
where:
Base-Base interactions energy: -1740.100
where: short stacking energy: -749.035
Base-Backbone interact. energy: -2.740
local terms energy: -781.059843
where:
bonds (distance) C4'-P energy: -138.189
bonds (distance) P-C4' energy: -133.453
flat angles C4'-P-C4' energy: -168.811
flat angles P-C4'-P energy: -112.261
tors. eta vs tors. theta energy: -228.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2459.006749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.006749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.006749 (E_RNA)
where:
Base-Base interactions energy: -1693.248
where: short stacking energy: -754.985
Base-Backbone interact. energy: -1.043
local terms energy: -764.715453
where:
bonds (distance) C4'-P energy: -136.095
bonds (distance) P-C4' energy: -140.188
flat angles C4'-P-C4' energy: -155.889
flat angles P-C4'-P energy: -97.961
tors. eta vs tors. theta energy: -234.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2386.371832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.371832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.371832 (E_RNA)
where:
Base-Base interactions energy: -1630.925
where: short stacking energy: -712.873
Base-Backbone interact. energy: -4.771
local terms energy: -750.675821
where:
bonds (distance) C4'-P energy: -133.044
bonds (distance) P-C4' energy: -133.446
flat angles C4'-P-C4' energy: -156.395
flat angles P-C4'-P energy: -93.596
tors. eta vs tors. theta energy: -234.195
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: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2288.293529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.293529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.293529 (E_RNA)
where:
Base-Base interactions energy: -1605.524
where: short stacking energy: -653.220
Base-Backbone interact. energy: -2.806
local terms energy: -679.963513
where:
bonds (distance) C4'-P energy: -141.661
bonds (distance) P-C4' energy: -127.979
flat angles C4'-P-C4' energy: -136.344
flat angles P-C4'-P energy: -91.091
tors. eta vs tors. theta energy: -182.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2039.266122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.266122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.266122 (E_RNA)
where:
Base-Base interactions energy: -1361.445
where: short stacking energy: -582.366
Base-Backbone interact. energy: 0.991
local terms energy: -678.811479
where:
bonds (distance) C4'-P energy: -107.096
bonds (distance) P-C4' energy: -145.185
flat angles C4'-P-C4' energy: -156.605
flat angles P-C4'-P energy: -93.323
tors. eta vs tors. theta energy: -176.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1930.073509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.073509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.073509 (E_RNA)
where:
Base-Base interactions energy: -1301.572
where: short stacking energy: -566.015
Base-Backbone interact. energy: -0.800
local terms energy: -627.701450
where:
bonds (distance) C4'-P energy: -134.120
bonds (distance) P-C4' energy: -116.273
flat angles C4'-P-C4' energy: -139.598
flat angles P-C4'-P energy: -90.213
tors. eta vs tors. theta energy: -147.496
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: 242
Temperature: 1.200000
Total energy: -1744.290288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.290288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.290288 (E_RNA)
where:
Base-Base interactions energy: -1179.356
where: short stacking energy: -517.310
Base-Backbone interact. energy: -2.546
local terms energy: -562.389169
where:
bonds (distance) C4'-P energy: -99.175
bonds (distance) P-C4' energy: -114.849
flat angles C4'-P-C4' energy: -124.264
flat angles P-C4'-P energy: -84.383
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: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1362.622768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.622768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.622768 (E_RNA)
where:
Base-Base interactions energy: -880.038
where: short stacking energy: -394.278
Base-Backbone interact. energy: 1.655
local terms energy: -484.239893
where:
bonds (distance) C4'-P energy: -110.038
bonds (distance) P-C4' energy: -113.272
flat angles C4'-P-C4' energy: -98.926
flat angles P-C4'-P energy: -80.337
tors. eta vs tors. theta energy: -81.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -990.181583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.181583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.181583 (E_RNA)
where:
Base-Base interactions energy: -570.330
where: short stacking energy: -309.562
Base-Backbone interact. energy: 1.592
local terms energy: -421.443119
where:
bonds (distance) C4'-P energy: -94.532
bonds (distance) P-C4' energy: -123.921
flat angles C4'-P-C4' energy: -106.787
flat angles P-C4'-P energy: -59.315
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -860.056280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.056280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.056280 (E_RNA)
where:
Base-Base interactions energy: -452.072
where: short stacking energy: -261.989
Base-Backbone interact. energy: -2.266
local terms energy: -405.718154
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -124.065
flat angles C4'-P-C4' energy: -99.339
flat angles P-C4'-P energy: -57.345
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2515.761166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.761166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.761166 (E_RNA)
where:
Base-Base interactions energy: -1742.755
where: short stacking energy: -742.962
Base-Backbone interact. energy: -5.105
local terms energy: -767.900972
where:
bonds (distance) C4'-P energy: -131.784
bonds (distance) P-C4' energy: -150.322
flat angles C4'-P-C4' energy: -163.600
flat angles P-C4'-P energy: -103.871
tors. eta vs tors. theta energy: -218.324
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2471.774128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.774128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.774128 (E_RNA)
where:
Base-Base interactions energy: -1679.794
where: short stacking energy: -715.701
Base-Backbone interact. energy: -2.965
local terms energy: -789.015270
where:
bonds (distance) C4'-P energy: -154.275
bonds (distance) P-C4' energy: -144.929
flat angles C4'-P-C4' energy: -160.222
flat angles P-C4'-P energy: -102.963
tors. eta vs tors. theta energy: -226.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2394.082777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.082777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.082777 (E_RNA)
where:
Base-Base interactions energy: -1634.256
where: short stacking energy: -716.420
Base-Backbone interact. energy: -4.540
local terms energy: -755.287349
where:
bonds (distance) C4'-P energy: -123.744
bonds (distance) P-C4' energy: -135.468
flat angles C4'-P-C4' energy: -161.047
flat angles P-C4'-P energy: -108.071
tors. eta vs tors. theta energy: -226.958
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: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2265.198605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.198605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.198605 (E_RNA)
where:
Base-Base interactions energy: -1604.143
where: short stacking energy: -645.649
Base-Backbone interact. energy: -4.128
local terms energy: -656.927364
where:
bonds (distance) C4'-P energy: -135.948
bonds (distance) P-C4' energy: -116.971
flat angles C4'-P-C4' energy: -133.141
flat angles P-C4'-P energy: -105.820
tors. eta vs tors. theta energy: -165.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2006.596935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.596935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.596935 (E_RNA)
where:
Base-Base interactions energy: -1364.529
where: short stacking energy: -610.854
Base-Backbone interact. energy: -5.748
local terms energy: -636.320368
where:
bonds (distance) C4'-P energy: -104.980
bonds (distance) P-C4' energy: -122.233
flat angles C4'-P-C4' energy: -153.821
flat angles P-C4'-P energy: -77.937
tors. eta vs tors. theta energy: -177.350
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: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1915.045842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.045842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.045842 (E_RNA)
where:
Base-Base interactions energy: -1295.278
where: short stacking energy: -581.711
Base-Backbone interact. energy: 1.821
local terms energy: -621.588419
where:
bonds (distance) C4'-P energy: -130.456
bonds (distance) P-C4' energy: -122.803
flat angles C4'-P-C4' energy: -145.786
flat angles P-C4'-P energy: -89.351
tors. eta vs tors. theta energy: -133.193
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: 243
Temperature: 1.200000
Total energy: -1770.176393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.176393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.176393 (E_RNA)
where:
Base-Base interactions energy: -1180.995
where: short stacking energy: -484.020
Base-Backbone interact. energy: -2.260
local terms energy: -586.921324
where:
bonds (distance) C4'-P energy: -114.138
bonds (distance) P-C4' energy: -128.313
flat angles C4'-P-C4' energy: -142.041
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -121.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1352.248318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.248318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.248318 (E_RNA)
where:
Base-Base interactions energy: -849.496
where: short stacking energy: -387.474
Base-Backbone interact. energy: -3.103
local terms energy: -499.649683
where:
bonds (distance) C4'-P energy: -116.252
bonds (distance) P-C4' energy: -123.492
flat angles C4'-P-C4' energy: -127.663
flat angles P-C4'-P energy: -67.024
tors. eta vs tors. theta energy: -65.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -939.269031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.269031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.269031 (E_RNA)
where:
Base-Base interactions energy: -536.489
where: short stacking energy: -280.018
Base-Backbone interact. energy: -0.626
local terms energy: -402.153550
where:
bonds (distance) C4'-P energy: -105.028
bonds (distance) P-C4' energy: -113.402
flat angles C4'-P-C4' energy: -103.837
flat angles P-C4'-P energy: -73.069
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -880.410847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.410847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.410847 (E_RNA)
where:
Base-Base interactions energy: -473.102
where: short stacking energy: -249.319
Base-Backbone interact. energy: -1.519
local terms energy: -405.790763
where:
bonds (distance) C4'-P energy: -109.638
bonds (distance) P-C4' energy: -105.375
flat angles C4'-P-C4' energy: -96.547
flat angles P-C4'-P energy: -69.734
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2541.915752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.915752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.915752 (E_RNA)
where:
Base-Base interactions energy: -1747.709
where: short stacking energy: -740.536
Base-Backbone interact. energy: -6.461
local terms energy: -787.746420
where:
bonds (distance) C4'-P energy: -146.345
bonds (distance) P-C4' energy: -150.522
flat angles C4'-P-C4' energy: -162.285
flat angles P-C4'-P energy: -102.391
tors. eta vs tors. theta energy: -226.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2500.198416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.198416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.198416 (E_RNA)
where:
Base-Base interactions energy: -1721.727
where: short stacking energy: -769.450
Base-Backbone interact. energy: -2.992
local terms energy: -775.479355
where:
bonds (distance) C4'-P energy: -133.362
bonds (distance) P-C4' energy: -149.578
flat angles C4'-P-C4' energy: -156.087
flat angles P-C4'-P energy: -108.126
tors. eta vs tors. theta energy: -228.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2379.540684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.540684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.540684 (E_RNA)
where:
Base-Base interactions energy: -1644.239
where: short stacking energy: -735.111
Base-Backbone interact. energy: -1.851
local terms energy: -733.450944
where:
bonds (distance) C4'-P energy: -116.490
bonds (distance) P-C4' energy: -129.812
flat angles C4'-P-C4' energy: -154.663
flat angles P-C4'-P energy: -102.706
tors. eta vs tors. theta energy: -229.780
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2242.739988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.739988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.739988 (E_RNA)
where:
Base-Base interactions energy: -1551.852
where: short stacking energy: -642.005
Base-Backbone interact. energy: -0.703
local terms energy: -690.184894
where:
bonds (distance) C4'-P energy: -124.930
bonds (distance) P-C4' energy: -144.076
flat angles C4'-P-C4' energy: -139.862
flat angles P-C4'-P energy: -100.528
tors. eta vs tors. theta energy: -180.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1982.118865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.118865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.118865 (E_RNA)
where:
Base-Base interactions energy: -1306.214
where: short stacking energy: -581.586
Base-Backbone interact. energy: -3.837
local terms energy: -672.067705
where:
bonds (distance) C4'-P energy: -129.863
bonds (distance) P-C4' energy: -132.912
flat angles C4'-P-C4' energy: -139.375
flat angles P-C4'-P energy: -104.050
tors. eta vs tors. theta energy: -165.868
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: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1932.032145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.032145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.032145 (E_RNA)
where:
Base-Base interactions energy: -1350.670
where: short stacking energy: -602.101
Base-Backbone interact. energy: 1.160
local terms energy: -582.522620
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -114.137
flat angles C4'-P-C4' energy: -125.703
flat angles P-C4'-P energy: -79.955
tors. eta vs tors. theta energy: -154.807
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: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1792.242332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.242332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.242332 (E_RNA)
where:
Base-Base interactions energy: -1199.127
where: short stacking energy: -554.753
Base-Backbone interact. energy: -2.515
local terms energy: -590.600548
where:
bonds (distance) C4'-P energy: -107.334
bonds (distance) P-C4' energy: -121.221
flat angles C4'-P-C4' energy: -136.464
flat angles P-C4'-P energy: -84.484
tors. eta vs tors. theta energy: -141.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1387.541972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.541972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.541972 (E_RNA)
where:
Base-Base interactions energy: -891.933
where: short stacking energy: -413.405
Base-Backbone interact. energy: 7.061
local terms energy: -502.670109
where:
bonds (distance) C4'-P energy: -119.307
bonds (distance) P-C4' energy: -125.184
flat angles C4'-P-C4' energy: -111.913
flat angles P-C4'-P energy: -62.896
tors. eta vs tors. theta energy: -83.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -974.857207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.857207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.857207 (E_RNA)
where:
Base-Base interactions energy: -562.611
where: short stacking energy: -301.371
Base-Backbone interact. energy: 0.508
local terms energy: -412.754696
where:
bonds (distance) C4'-P energy: -98.105
bonds (distance) P-C4' energy: -124.845
flat angles C4'-P-C4' energy: -115.002
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -25.296
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: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -849.463466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.463466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.463466 (E_RNA)
where:
Base-Base interactions energy: -461.922
where: short stacking energy: -246.418
Base-Backbone interact. energy: -1.951
local terms energy: -385.590539
where:
bonds (distance) C4'-P energy: -97.956
bonds (distance) P-C4' energy: -126.054
flat angles C4'-P-C4' energy: -115.161
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2534.508979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.508979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.508979 (E_RNA)
where:
Base-Base interactions energy: -1756.482
where: short stacking energy: -740.635
Base-Backbone interact. energy: 0.092
local terms energy: -778.118470
where:
bonds (distance) C4'-P energy: -145.872
bonds (distance) P-C4' energy: -147.584
flat angles C4'-P-C4' energy: -154.933
flat angles P-C4'-P energy: -108.642
tors. eta vs tors. theta energy: -221.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2474.604246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.604246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.604246 (E_RNA)
where:
Base-Base interactions energy: -1686.865
where: short stacking energy: -739.645
Base-Backbone interact. energy: -1.174
local terms energy: -786.565121
where:
bonds (distance) C4'-P energy: -129.395
bonds (distance) P-C4' energy: -148.090
flat angles C4'-P-C4' energy: -171.460
flat angles P-C4'-P energy: -102.655
tors. eta vs tors. theta energy: -234.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2397.214352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.214352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.214352 (E_RNA)
where:
Base-Base interactions energy: -1636.977
where: short stacking energy: -728.573
Base-Backbone interact. energy: -1.291
local terms energy: -758.946178
where:
bonds (distance) C4'-P energy: -136.181
bonds (distance) P-C4' energy: -138.415
flat angles C4'-P-C4' energy: -150.901
flat angles P-C4'-P energy: -108.177
tors. eta vs tors. theta energy: -225.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2249.697805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.697805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.697805 (E_RNA)
where:
Base-Base interactions energy: -1559.474
where: short stacking energy: -653.154
Base-Backbone interact. energy: -2.974
local terms energy: -687.249557
where:
bonds (distance) C4'-P energy: -117.931
bonds (distance) P-C4' energy: -134.885
flat angles C4'-P-C4' energy: -142.032
flat angles P-C4'-P energy: -105.992
tors. eta vs tors. theta energy: -186.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1976.628077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.628077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.628077 (E_RNA)
where:
Base-Base interactions energy: -1326.320
where: short stacking energy: -596.245
Base-Backbone interact. energy: -4.008
local terms energy: -646.300005
where:
bonds (distance) C4'-P energy: -127.213
bonds (distance) P-C4' energy: -138.742
flat angles C4'-P-C4' energy: -137.543
flat angles P-C4'-P energy: -80.169
tors. eta vs tors. theta energy: -162.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1944.200899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.200899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.200899 (E_RNA)
where:
Base-Base interactions energy: -1327.556
where: short stacking energy: -562.943
Base-Backbone interact. energy: 5.537
local terms energy: -622.181800
where:
bonds (distance) C4'-P energy: -108.865
bonds (distance) P-C4' energy: -136.379
flat angles C4'-P-C4' energy: -131.790
flat angles P-C4'-P energy: -96.001
tors. eta vs tors. theta energy: -149.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1720.387980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.387980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.387980 (E_RNA)
where:
Base-Base interactions energy: -1124.239
where: short stacking energy: -495.552
Base-Backbone interact. energy: -3.371
local terms energy: -592.778024
where:
bonds (distance) C4'-P energy: -92.544
bonds (distance) P-C4' energy: -138.492
flat angles C4'-P-C4' energy: -130.113
flat angles P-C4'-P energy: -89.253
tors. eta vs tors. theta energy: -142.376
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: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1325.197897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.197897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.197897 (E_RNA)
where:
Base-Base interactions energy: -840.213
where: short stacking energy: -389.666
Base-Backbone interact. energy: 1.572
local terms energy: -486.556493
where:
bonds (distance) C4'-P energy: -106.615
bonds (distance) P-C4' energy: -119.356
flat angles C4'-P-C4' energy: -123.570
flat angles P-C4'-P energy: -72.385
tors. eta vs tors. theta energy: -64.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -953.998356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.998356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.998356 (E_RNA)
where:
Base-Base interactions energy: -500.037
where: short stacking energy: -257.419
Base-Backbone interact. energy: -0.044
local terms energy: -453.916812
where:
bonds (distance) C4'-P energy: -111.584
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -120.865
flat angles P-C4'-P energy: -69.306
tors. eta vs tors. theta energy: -34.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -874.674062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.674062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.674062 (E_RNA)
where:
Base-Base interactions energy: -504.416
where: short stacking energy: -248.192
Base-Backbone interact. energy: 7.645
local terms energy: -377.903601
where:
bonds (distance) C4'-P energy: -88.380
bonds (distance) P-C4' energy: -121.808
flat angles C4'-P-C4' energy: -100.111
flat angles P-C4'-P energy: -52.871
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2512.869461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.869461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.869461 (E_RNA)
where:
Base-Base interactions energy: -1735.742
where: short stacking energy: -735.327
Base-Backbone interact. energy: -4.188
local terms energy: -772.939698
where:
bonds (distance) C4'-P energy: -143.374
bonds (distance) P-C4' energy: -135.139
flat angles C4'-P-C4' energy: -164.717
flat angles P-C4'-P energy: -108.370
tors. eta vs tors. theta energy: -221.339
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: 246
Temperature: 0.950000
Total energy: -2491.621777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.621777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.621777 (E_RNA)
where:
Base-Base interactions energy: -1746.395
where: short stacking energy: -731.554
Base-Backbone interact. energy: -4.809
local terms energy: -740.417618
where:
bonds (distance) C4'-P energy: -137.691
bonds (distance) P-C4' energy: -124.239
flat angles C4'-P-C4' energy: -170.731
flat angles P-C4'-P energy: -91.657
tors. eta vs tors. theta energy: -216.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2405.735211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.735211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.735211 (E_RNA)
where:
Base-Base interactions energy: -1637.349
where: short stacking energy: -747.940
Base-Backbone interact. energy: -2.153
local terms energy: -766.232604
where:
bonds (distance) C4'-P energy: -138.911
bonds (distance) P-C4' energy: -132.288
flat angles C4'-P-C4' energy: -155.977
flat angles P-C4'-P energy: -104.540
tors. eta vs tors. theta energy: -234.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2274.466344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.466344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.466344 (E_RNA)
where:
Base-Base interactions energy: -1594.452
where: short stacking energy: -642.993
Base-Backbone interact. energy: -1.682
local terms energy: -678.331898
where:
bonds (distance) C4'-P energy: -125.296
bonds (distance) P-C4' energy: -143.889
flat angles C4'-P-C4' energy: -147.765
flat angles P-C4'-P energy: -86.978
tors. eta vs tors. theta energy: -174.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2069.782723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.782723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.782723 (E_RNA)
where:
Base-Base interactions energy: -1417.958
where: short stacking energy: -617.242
Base-Backbone interact. energy: 0.204
local terms energy: -652.028667
where:
bonds (distance) C4'-P energy: -116.166
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -153.017
flat angles P-C4'-P energy: -87.527
tors. eta vs tors. theta energy: -172.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1946.475392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.475392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.475392 (E_RNA)
where:
Base-Base interactions energy: -1289.864
where: short stacking energy: -551.109
Base-Backbone interact. energy: -2.253
local terms energy: -654.358470
where:
bonds (distance) C4'-P energy: -105.329
bonds (distance) P-C4' energy: -142.313
flat angles C4'-P-C4' energy: -141.338
flat angles P-C4'-P energy: -101.414
tors. eta vs tors. theta energy: -163.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1715.401772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.401772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.401772 (E_RNA)
where:
Base-Base interactions energy: -1126.046
where: short stacking energy: -479.495
Base-Backbone interact. energy: -0.218
local terms energy: -589.137158
where:
bonds (distance) C4'-P energy: -125.378
bonds (distance) P-C4' energy: -120.255
flat angles C4'-P-C4' energy: -130.794
flat angles P-C4'-P energy: -95.335
tors. eta vs tors. theta energy: -117.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1392.933256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.933256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.933256 (E_RNA)
where:
Base-Base interactions energy: -876.454
where: short stacking energy: -414.696
Base-Backbone interact. energy: -0.887
local terms energy: -515.592427
where:
bonds (distance) C4'-P energy: -109.715
bonds (distance) P-C4' energy: -127.226
flat angles C4'-P-C4' energy: -118.566
flat angles P-C4'-P energy: -75.751
tors. eta vs tors. theta energy: -84.334
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1022.606035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.606035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.606035 (E_RNA)
where:
Base-Base interactions energy: -585.754
where: short stacking energy: -270.506
Base-Backbone interact. energy: -1.319
local terms energy: -435.533051
where:
bonds (distance) C4'-P energy: -107.297
bonds (distance) P-C4' energy: -127.147
flat angles C4'-P-C4' energy: -118.045
flat angles P-C4'-P energy: -72.174
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -837.677016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.677016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.677016 (E_RNA)
where:
Base-Base interactions energy: -454.159
where: short stacking energy: -242.597
Base-Backbone interact. energy: 0.607
local terms energy: -384.124400
where:
bonds (distance) C4'-P energy: -117.770
bonds (distance) P-C4' energy: -129.860
flat angles C4'-P-C4' energy: -81.045
flat angles P-C4'-P energy: -46.871
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2516.824479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.824479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.824479 (E_RNA)
where:
Base-Base interactions energy: -1743.546
where: short stacking energy: -750.282
Base-Backbone interact. energy: -4.276
local terms energy: -769.003225
where:
bonds (distance) C4'-P energy: -136.944
bonds (distance) P-C4' energy: -139.194
flat angles C4'-P-C4' energy: -157.082
flat angles P-C4'-P energy: -116.303
tors. eta vs tors. theta energy: -219.480
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: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2470.002406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.002406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.002406 (E_RNA)
where:
Base-Base interactions energy: -1713.972
where: short stacking energy: -709.108
Base-Backbone interact. energy: 3.337
local terms energy: -759.367227
where:
bonds (distance) C4'-P energy: -138.140
bonds (distance) P-C4' energy: -146.279
flat angles C4'-P-C4' energy: -148.014
flat angles P-C4'-P energy: -114.485
tors. eta vs tors. theta energy: -212.449
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: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2401.609240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.609240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.609240 (E_RNA)
where:
Base-Base interactions energy: -1640.915
where: short stacking energy: -711.741
Base-Backbone interact. energy: 1.888
local terms energy: -762.581790
where:
bonds (distance) C4'-P energy: -139.807
bonds (distance) P-C4' energy: -146.777
flat angles C4'-P-C4' energy: -152.174
flat angles P-C4'-P energy: -106.662
tors. eta vs tors. theta energy: -217.162
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: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2292.525723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.525723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.525723 (E_RNA)
where:
Base-Base interactions energy: -1587.142
where: short stacking energy: -627.896
Base-Backbone interact. energy: -0.449
local terms energy: -704.934846
where:
bonds (distance) C4'-P energy: -131.721
bonds (distance) P-C4' energy: -137.577
flat angles C4'-P-C4' energy: -158.077
flat angles P-C4'-P energy: -98.875
tors. eta vs tors. theta energy: -178.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2086.537143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.537143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.537143 (E_RNA)
where:
Base-Base interactions energy: -1400.058
where: short stacking energy: -632.888
Base-Backbone interact. energy: -1.995
local terms energy: -684.484049
where:
bonds (distance) C4'-P energy: -122.373
bonds (distance) P-C4' energy: -136.932
flat angles C4'-P-C4' energy: -148.690
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -186.016
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: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1902.170297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.170297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.170297 (E_RNA)
where:
Base-Base interactions energy: -1274.333
where: short stacking energy: -550.151
Base-Backbone interact. energy: -0.460
local terms energy: -627.377021
where:
bonds (distance) C4'-P energy: -110.241
bonds (distance) P-C4' energy: -136.097
flat angles C4'-P-C4' energy: -148.673
flat angles P-C4'-P energy: -82.827
tors. eta vs tors. theta energy: -149.540
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: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1754.179654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.179654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.179654 (E_RNA)
where:
Base-Base interactions energy: -1193.798
where: short stacking energy: -540.259
Base-Backbone interact. energy: 0.932
local terms energy: -561.313761
where:
bonds (distance) C4'-P energy: -95.734
bonds (distance) P-C4' energy: -119.749
flat angles C4'-P-C4' energy: -128.889
flat angles P-C4'-P energy: -77.668
tors. eta vs tors. theta energy: -139.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1318.179554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.179554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.179554 (E_RNA)
where:
Base-Base interactions energy: -827.857
where: short stacking energy: -388.322
Base-Backbone interact. energy: -3.090
local terms energy: -487.232459
where:
bonds (distance) C4'-P energy: -121.636
bonds (distance) P-C4' energy: -111.328
flat angles C4'-P-C4' energy: -117.667
flat angles P-C4'-P energy: -69.863
tors. eta vs tors. theta energy: -66.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1047.566115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.566115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.566115 (E_RNA)
where:
Base-Base interactions energy: -614.221
where: short stacking energy: -292.917
Base-Backbone interact. energy: 0.210
local terms energy: -433.555139
where:
bonds (distance) C4'-P energy: -110.850
bonds (distance) P-C4' energy: -109.923
flat angles C4'-P-C4' energy: -111.844
flat angles P-C4'-P energy: -66.688
tors. eta vs tors. theta energy: -34.250
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: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -882.402176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.402176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.402176 (E_RNA)
where:
Base-Base interactions energy: -504.634
where: short stacking energy: -240.629
Base-Backbone interact. energy: 2.215
local terms energy: -379.983067
where:
bonds (distance) C4'-P energy: -97.001
bonds (distance) P-C4' energy: -117.786
flat angles C4'-P-C4' energy: -85.264
flat angles P-C4'-P energy: -84.504
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2507.093032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.093032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.093032 (E_RNA)
where:
Base-Base interactions energy: -1730.747
where: short stacking energy: -740.388
Base-Backbone interact. energy: -0.628
local terms energy: -775.718399
where:
bonds (distance) C4'-P energy: -135.189
bonds (distance) P-C4' energy: -144.498
flat angles C4'-P-C4' energy: -156.553
flat angles P-C4'-P energy: -110.327
tors. eta vs tors. theta energy: -229.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2463.108906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.108906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.108906 (E_RNA)
where:
Base-Base interactions energy: -1691.482
where: short stacking energy: -719.948
Base-Backbone interact. energy: -1.887
local terms energy: -769.740050
where:
bonds (distance) C4'-P energy: -141.081
bonds (distance) P-C4' energy: -137.054
flat angles C4'-P-C4' energy: -161.308
flat angles P-C4'-P energy: -121.345
tors. eta vs tors. theta energy: -208.950
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2403.098161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.098161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.098161 (E_RNA)
where:
Base-Base interactions energy: -1640.482
where: short stacking energy: -746.353
Base-Backbone interact. energy: -4.377
local terms energy: -758.238848
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -141.984
flat angles C4'-P-C4' energy: -154.274
flat angles P-C4'-P energy: -104.703
tors. eta vs tors. theta energy: -230.005
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: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2281.497990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.497990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.497990 (E_RNA)
where:
Base-Base interactions energy: -1654.697
where: short stacking energy: -639.850
Base-Backbone interact. energy: 4.629
local terms energy: -631.429189
where:
bonds (distance) C4'-P energy: -109.280
bonds (distance) P-C4' energy: -117.740
flat angles C4'-P-C4' energy: -147.174
flat angles P-C4'-P energy: -89.973
tors. eta vs tors. theta energy: -167.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2115.998046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.998046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.998046 (E_RNA)
where:
Base-Base interactions energy: -1463.463
where: short stacking energy: -641.194
Base-Backbone interact. energy: -1.284
local terms energy: -651.251132
where:
bonds (distance) C4'-P energy: -120.648
bonds (distance) P-C4' energy: -112.983
flat angles C4'-P-C4' energy: -148.617
flat angles P-C4'-P energy: -93.407
tors. eta vs tors. theta energy: -175.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1937.539084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.539084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.539084 (E_RNA)
where:
Base-Base interactions energy: -1290.947
where: short stacking energy: -575.510
Base-Backbone interact. energy: -3.401
local terms energy: -643.191286
where:
bonds (distance) C4'-P energy: -116.784
bonds (distance) P-C4' energy: -122.206
flat angles C4'-P-C4' energy: -134.975
flat angles P-C4'-P energy: -93.878
tors. eta vs tors. theta energy: -175.349
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: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1692.413865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.413865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.413865 (E_RNA)
where:
Base-Base interactions energy: -1145.747
where: short stacking energy: -501.901
Base-Backbone interact. energy: -4.291
local terms energy: -542.375634
where:
bonds (distance) C4'-P energy: -102.440
bonds (distance) P-C4' energy: -103.609
flat angles C4'-P-C4' energy: -127.830
flat angles P-C4'-P energy: -85.748
tors. eta vs tors. theta energy: -122.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1330.919350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.919350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.919350 (E_RNA)
where:
Base-Base interactions energy: -827.965
where: short stacking energy: -411.960
Base-Backbone interact. energy: -1.782
local terms energy: -501.172593
where:
bonds (distance) C4'-P energy: -109.173
bonds (distance) P-C4' energy: -120.221
flat angles C4'-P-C4' energy: -109.698
flat angles P-C4'-P energy: -74.027
tors. eta vs tors. theta energy: -88.054
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: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1040.263197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.263197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.263197 (E_RNA)
where:
Base-Base interactions energy: -622.550
where: short stacking energy: -306.982
Base-Backbone interact. energy: 1.746
local terms energy: -419.458327
where:
bonds (distance) C4'-P energy: -111.478
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -103.195
flat angles P-C4'-P energy: -61.674
tors. eta vs tors. theta energy: -29.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -865.163464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.163464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.163464 (E_RNA)
where:
Base-Base interactions energy: -474.649
where: short stacking energy: -261.306
Base-Backbone interact. energy: -1.807
local terms energy: -388.707764
where:
bonds (distance) C4'-P energy: -106.871
bonds (distance) P-C4' energy: -111.941
flat angles C4'-P-C4' energy: -89.909
flat angles P-C4'-P energy: -52.244
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2516.789220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.789220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.789220 (E_RNA)
where:
Base-Base interactions energy: -1743.142
where: short stacking energy: -748.675
Base-Backbone interact. energy: -0.271
local terms energy: -773.376924
where:
bonds (distance) C4'-P energy: -146.855
bonds (distance) P-C4' energy: -124.384
flat angles C4'-P-C4' energy: -160.446
flat angles P-C4'-P energy: -115.861
tors. eta vs tors. theta energy: -225.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2450.711455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.711455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.711455 (E_RNA)
where:
Base-Base interactions energy: -1692.815
where: short stacking energy: -733.309
Base-Backbone interact. energy: -3.107
local terms energy: -754.789087
where:
bonds (distance) C4'-P energy: -136.403
bonds (distance) P-C4' energy: -137.110
flat angles C4'-P-C4' energy: -166.914
flat angles P-C4'-P energy: -99.964
tors. eta vs tors. theta energy: -214.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2457.385089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.385089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.385089 (E_RNA)
where:
Base-Base interactions energy: -1710.390
where: short stacking energy: -749.484
Base-Backbone interact. energy: -0.410
local terms energy: -746.585040
where:
bonds (distance) C4'-P energy: -126.486
bonds (distance) P-C4' energy: -132.999
flat angles C4'-P-C4' energy: -161.216
flat angles P-C4'-P energy: -97.881
tors. eta vs tors. theta energy: -228.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2293.458872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.458872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.458872 (E_RNA)
where:
Base-Base interactions energy: -1600.644
where: short stacking energy: -656.786
Base-Backbone interact. energy: -4.226
local terms energy: -688.587952
where:
bonds (distance) C4'-P energy: -138.743
bonds (distance) P-C4' energy: -147.743
flat angles C4'-P-C4' energy: -140.506
flat angles P-C4'-P energy: -84.099
tors. eta vs tors. theta energy: -177.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2145.254293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.254293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.254293 (E_RNA)
where:
Base-Base interactions energy: -1451.663
where: short stacking energy: -623.647
Base-Backbone interact. energy: 1.731
local terms energy: -695.322546
where:
bonds (distance) C4'-P energy: -134.711
bonds (distance) P-C4' energy: -134.581
flat angles C4'-P-C4' energy: -156.233
flat angles P-C4'-P energy: -98.852
tors. eta vs tors. theta energy: -170.945
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: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1933.126635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.126635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.126635 (E_RNA)
where:
Base-Base interactions energy: -1286.456
where: short stacking energy: -585.632
Base-Backbone interact. energy: -3.342
local terms energy: -643.329174
where:
bonds (distance) C4'-P energy: -125.138
bonds (distance) P-C4' energy: -126.650
flat angles C4'-P-C4' energy: -129.639
flat angles P-C4'-P energy: -94.079
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: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1690.281676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.281676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.281676 (E_RNA)
where:
Base-Base interactions energy: -1127.261
where: short stacking energy: -510.445
Base-Backbone interact. energy: 3.111
local terms energy: -566.132416
where:
bonds (distance) C4'-P energy: -125.326
bonds (distance) P-C4' energy: -123.568
flat angles C4'-P-C4' energy: -128.356
flat angles P-C4'-P energy: -63.812
tors. eta vs tors. theta energy: -125.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1374.740408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.740408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.740408 (E_RNA)
where:
Base-Base interactions energy: -838.167
where: short stacking energy: -390.745
Base-Backbone interact. energy: 1.391
local terms energy: -537.965045
where:
bonds (distance) C4'-P energy: -114.432
bonds (distance) P-C4' energy: -116.268
flat angles C4'-P-C4' energy: -129.743
flat angles P-C4'-P energy: -85.375
tors. eta vs tors. theta energy: -92.146
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: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1027.478806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.478806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.478806 (E_RNA)
where:
Base-Base interactions energy: -607.726
where: short stacking energy: -302.438
Base-Backbone interact. energy: 0.503
local terms energy: -420.255683
where:
bonds (distance) C4'-P energy: -117.934
bonds (distance) P-C4' energy: -110.417
flat angles C4'-P-C4' energy: -115.612
flat angles P-C4'-P energy: -53.042
tors. eta vs tors. theta energy: -23.251
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: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -862.427321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.427321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.427321 (E_RNA)
where:
Base-Base interactions energy: -465.997
where: short stacking energy: -262.840
Base-Backbone interact. energy: 0.382
local terms energy: -396.812706
where:
bonds (distance) C4'-P energy: -110.974
bonds (distance) P-C4' energy: -112.309
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -67.736
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2516.675051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.675051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.675051 (E_RNA)
where:
Base-Base interactions energy: -1746.309
where: short stacking energy: -773.425
Base-Backbone interact. energy: 0.752
local terms energy: -771.119019
where:
bonds (distance) C4'-P energy: -141.049
bonds (distance) P-C4' energy: -145.813
flat angles C4'-P-C4' energy: -160.509
flat angles P-C4'-P energy: -93.710
tors. eta vs tors. theta energy: -230.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2438.436908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.436908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.436908 (E_RNA)
where:
Base-Base interactions energy: -1677.311
where: short stacking energy: -714.173
Base-Backbone interact. energy: -2.425
local terms energy: -758.700940
where:
bonds (distance) C4'-P energy: -134.087
bonds (distance) P-C4' energy: -153.155
flat angles C4'-P-C4' energy: -159.592
flat angles P-C4'-P energy: -105.829
tors. eta vs tors. theta energy: -206.038
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2397.674893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.674893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.674893 (E_RNA)
where:
Base-Base interactions energy: -1631.774
where: short stacking energy: -738.135
Base-Backbone interact. energy: -1.005
local terms energy: -764.895063
where:
bonds (distance) C4'-P energy: -129.301
bonds (distance) P-C4' energy: -133.721
flat angles C4'-P-C4' energy: -162.907
flat angles P-C4'-P energy: -101.845
tors. eta vs tors. theta energy: -237.120
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: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2284.451474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.451474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.451474 (E_RNA)
where:
Base-Base interactions energy: -1594.964
where: short stacking energy: -655.468
Base-Backbone interact. energy: 7.141
local terms energy: -696.628297
where:
bonds (distance) C4'-P energy: -131.003
bonds (distance) P-C4' energy: -129.185
flat angles C4'-P-C4' energy: -153.479
flat angles P-C4'-P energy: -91.312
tors. eta vs tors. theta energy: -191.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2078.546783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.546783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.546783 (E_RNA)
where:
Base-Base interactions energy: -1442.390
where: short stacking energy: -617.210
Base-Backbone interact. energy: -2.985
local terms energy: -633.171507
where:
bonds (distance) C4'-P energy: -119.951
bonds (distance) P-C4' energy: -129.626
flat angles C4'-P-C4' energy: -125.388
flat angles P-C4'-P energy: -101.699
tors. eta vs tors. theta energy: -156.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1918.387996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.387996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.387996 (E_RNA)
where:
Base-Base interactions energy: -1283.361
where: short stacking energy: -580.409
Base-Backbone interact. energy: 1.677
local terms energy: -636.703914
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -126.444
flat angles C4'-P-C4' energy: -126.131
flat angles P-C4'-P energy: -102.151
tors. eta vs tors. theta energy: -163.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1711.250379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.250379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.250379 (E_RNA)
where:
Base-Base interactions energy: -1113.498
where: short stacking energy: -506.019
Base-Backbone interact. energy: -3.587
local terms energy: -594.164935
where:
bonds (distance) C4'-P energy: -126.214
bonds (distance) P-C4' energy: -126.788
flat angles C4'-P-C4' energy: -133.014
flat angles P-C4'-P energy: -79.857
tors. eta vs tors. theta energy: -128.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1280.854759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.854759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.854759 (E_RNA)
where:
Base-Base interactions energy: -784.283
where: short stacking energy: -371.314
Base-Backbone interact. energy: -0.832
local terms energy: -495.740060
where:
bonds (distance) C4'-P energy: -118.482
bonds (distance) P-C4' energy: -125.432
flat angles C4'-P-C4' energy: -127.891
flat angles P-C4'-P energy: -58.329
tors. eta vs tors. theta energy: -65.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1121.264042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.264042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.264042 (E_RNA)
where:
Base-Base interactions energy: -642.643
where: short stacking energy: -310.720
Base-Backbone interact. energy: 0.140
local terms energy: -478.761092
where:
bonds (distance) C4'-P energy: -118.263
bonds (distance) P-C4' energy: -127.542
flat angles C4'-P-C4' energy: -123.391
flat angles P-C4'-P energy: -69.134
tors. eta vs tors. theta energy: -40.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -881.882519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.882519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.882519 (E_RNA)
where:
Base-Base interactions energy: -472.236
where: short stacking energy: -246.234
Base-Backbone interact. energy: -2.568
local terms energy: -407.078999
where:
bonds (distance) C4'-P energy: -108.154
bonds (distance) P-C4' energy: -115.106
flat angles C4'-P-C4' energy: -106.337
flat angles P-C4'-P energy: -62.471
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2544.115838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.115838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.115838 (E_RNA)
where:
Base-Base interactions energy: -1734.387
where: short stacking energy: -747.124
Base-Backbone interact. energy: -1.950
local terms energy: -807.779285
where:
bonds (distance) C4'-P energy: -136.639
bonds (distance) P-C4' energy: -163.839
flat angles C4'-P-C4' energy: -173.227
flat angles P-C4'-P energy: -101.608
tors. eta vs tors. theta energy: -232.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2465.106661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.106661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.106661 (E_RNA)
where:
Base-Base interactions energy: -1737.649
where: short stacking energy: -751.623
Base-Backbone interact. energy: -1.049
local terms energy: -726.408481
where:
bonds (distance) C4'-P energy: -118.021
bonds (distance) P-C4' energy: -129.827
flat angles C4'-P-C4' energy: -164.811
flat angles P-C4'-P energy: -98.992
tors. eta vs tors. theta energy: -214.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2369.896923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.896923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.896923 (E_RNA)
where:
Base-Base interactions energy: -1633.513
where: short stacking energy: -710.749
Base-Backbone interact. energy: 0.845
local terms energy: -737.228538
where:
bonds (distance) C4'-P energy: -133.627
bonds (distance) P-C4' energy: -125.200
flat angles C4'-P-C4' energy: -157.654
flat angles P-C4'-P energy: -96.158
tors. eta vs tors. theta energy: -224.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2297.091895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.091895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.091895 (E_RNA)
where:
Base-Base interactions energy: -1608.038
where: short stacking energy: -622.815
Base-Backbone interact. energy: -2.557
local terms energy: -686.497480
where:
bonds (distance) C4'-P energy: -133.606
bonds (distance) P-C4' energy: -125.954
flat angles C4'-P-C4' energy: -160.643
flat angles P-C4'-P energy: -94.136
tors. eta vs tors. theta energy: -172.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2118.679781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.679781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.679781 (E_RNA)
where:
Base-Base interactions energy: -1427.954
where: short stacking energy: -620.218
Base-Backbone interact. energy: -2.037
local terms energy: -688.688220
where:
bonds (distance) C4'-P energy: -126.025
bonds (distance) P-C4' energy: -144.618
flat angles C4'-P-C4' energy: -159.314
flat angles P-C4'-P energy: -91.017
tors. eta vs tors. theta energy: -167.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1893.821646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.821646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.821646 (E_RNA)
where:
Base-Base interactions energy: -1282.329
where: short stacking energy: -584.803
Base-Backbone interact. energy: -2.957
local terms energy: -608.535806
where:
bonds (distance) C4'-P energy: -116.981
bonds (distance) P-C4' energy: -109.138
flat angles C4'-P-C4' energy: -136.367
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -165.566
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: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1656.034896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.034896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.034896 (E_RNA)
where:
Base-Base interactions energy: -1088.053
where: short stacking energy: -497.188
Base-Backbone interact. energy: 0.409
local terms energy: -568.390922
where:
bonds (distance) C4'-P energy: -105.355
bonds (distance) P-C4' energy: -125.283
flat angles C4'-P-C4' energy: -130.601
flat angles P-C4'-P energy: -84.851
tors. eta vs tors. theta energy: -122.301
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: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1343.860571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.860571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.860571 (E_RNA)
where:
Base-Base interactions energy: -825.885
where: short stacking energy: -395.496
Base-Backbone interact. energy: -1.383
local terms energy: -516.593250
where:
bonds (distance) C4'-P energy: -119.729
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -114.748
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -79.554
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: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1056.755738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.755738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.755738 (E_RNA)
where:
Base-Base interactions energy: -616.665
where: short stacking energy: -301.079
Base-Backbone interact. energy: -1.237
local terms energy: -438.854149
where:
bonds (distance) C4'-P energy: -117.793
bonds (distance) P-C4' energy: -123.627
flat angles C4'-P-C4' energy: -104.755
flat angles P-C4'-P energy: -58.359
tors. eta vs tors. theta energy: -34.320
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: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -892.121850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.121850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.121850 (E_RNA)
where:
Base-Base interactions energy: -491.030
where: short stacking energy: -237.210
Base-Backbone interact. energy: 7.225
local terms energy: -408.316981
where:
bonds (distance) C4'-P energy: -124.743
bonds (distance) P-C4' energy: -129.829
flat angles C4'-P-C4' energy: -89.181
flat angles P-C4'-P energy: -62.676
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2547.462240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.462240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.462240 (E_RNA)
where:
Base-Base interactions energy: -1776.935
where: short stacking energy: -766.225
Base-Backbone interact. energy: -0.455
local terms energy: -770.072534
where:
bonds (distance) C4'-P energy: -127.392
bonds (distance) P-C4' energy: -149.444
flat angles C4'-P-C4' energy: -167.466
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -227.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2411.663133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.663133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.663133 (E_RNA)
where:
Base-Base interactions energy: -1652.978
where: short stacking energy: -705.515
Base-Backbone interact. energy: -1.978
local terms energy: -756.707126
where:
bonds (distance) C4'-P energy: -138.201
bonds (distance) P-C4' energy: -136.873
flat angles C4'-P-C4' energy: -154.344
flat angles P-C4'-P energy: -116.252
tors. eta vs tors. theta energy: -211.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2440.778795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.778795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.778795 (E_RNA)
where:
Base-Base interactions energy: -1694.641
where: short stacking energy: -741.779
Base-Backbone interact. energy: -3.691
local terms energy: -742.446630
where:
bonds (distance) C4'-P energy: -144.709
bonds (distance) P-C4' energy: -119.316
flat angles C4'-P-C4' energy: -159.789
flat angles P-C4'-P energy: -99.178
tors. eta vs tors. theta energy: -219.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2324.189778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.189778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.189778 (E_RNA)
where:
Base-Base interactions energy: -1640.109
where: short stacking energy: -627.126
Base-Backbone interact. energy: -0.613
local terms energy: -683.467096
where:
bonds (distance) C4'-P energy: -130.331
bonds (distance) P-C4' energy: -139.361
flat angles C4'-P-C4' energy: -144.956
flat angles P-C4'-P energy: -96.999
tors. eta vs tors. theta energy: -171.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2133.399076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.399076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.399076 (E_RNA)
where:
Base-Base interactions energy: -1478.816
where: short stacking energy: -650.960
Base-Backbone interact. energy: -1.993
local terms energy: -652.590595
where:
bonds (distance) C4'-P energy: -115.555
bonds (distance) P-C4' energy: -119.599
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -92.779
tors. eta vs tors. theta energy: -178.026
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: 252
Temperature: 1.150000
Total energy: -1862.912936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.912936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.912936 (E_RNA)
where:
Base-Base interactions energy: -1222.457
where: short stacking energy: -542.172
Base-Backbone interact. energy: -0.353
local terms energy: -640.102823
where:
bonds (distance) C4'-P energy: -145.993
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -143.554
flat angles P-C4'-P energy: -93.704
tors. eta vs tors. theta energy: -145.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1670.226544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.226544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.226544 (E_RNA)
where:
Base-Base interactions energy: -1100.881
where: short stacking energy: -503.254
Base-Backbone interact. energy: -2.845
local terms energy: -566.500948
where:
bonds (distance) C4'-P energy: -127.098
bonds (distance) P-C4' energy: -109.884
flat angles C4'-P-C4' energy: -139.996
flat angles P-C4'-P energy: -94.304
tors. eta vs tors. theta energy: -95.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1333.405619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.405619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.405619 (E_RNA)
where:
Base-Base interactions energy: -838.432
where: short stacking energy: -412.720
Base-Backbone interact. energy: 2.532
local terms energy: -497.505098
where:
bonds (distance) C4'-P energy: -120.661
bonds (distance) P-C4' energy: -98.037
flat angles C4'-P-C4' energy: -128.447
flat angles P-C4'-P energy: -69.063
tors. eta vs tors. theta energy: -81.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1009.354797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.354797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.354797 (E_RNA)
where:
Base-Base interactions energy: -569.322
where: short stacking energy: -268.928
Base-Backbone interact. energy: 1.221
local terms energy: -441.254026
where:
bonds (distance) C4'-P energy: -109.225
bonds (distance) P-C4' energy: -126.484
flat angles C4'-P-C4' energy: -100.488
flat angles P-C4'-P energy: -73.714
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -876.348693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.348693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.348693 (E_RNA)
where:
Base-Base interactions energy: -441.852
where: short stacking energy: -255.202
Base-Backbone interact. energy: 1.654
local terms energy: -436.151445
where:
bonds (distance) C4'-P energy: -99.606
bonds (distance) P-C4' energy: -133.736
flat angles C4'-P-C4' energy: -107.347
flat angles P-C4'-P energy: -82.976
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2528.065327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.065327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.065327 (E_RNA)
where:
Base-Base interactions energy: -1727.472
where: short stacking energy: -756.288
Base-Backbone interact. energy: -4.115
local terms energy: -796.478913
where:
bonds (distance) C4'-P energy: -138.264
bonds (distance) P-C4' energy: -153.842
flat angles C4'-P-C4' energy: -156.909
flat angles P-C4'-P energy: -111.120
tors. eta vs tors. theta energy: -236.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2405.500009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.500009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.500009 (E_RNA)
where:
Base-Base interactions energy: -1651.012
where: short stacking energy: -700.591
Base-Backbone interact. energy: -2.554
local terms energy: -751.934018
where:
bonds (distance) C4'-P energy: -135.888
bonds (distance) P-C4' energy: -132.026
flat angles C4'-P-C4' energy: -166.879
flat angles P-C4'-P energy: -109.384
tors. eta vs tors. theta energy: -207.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2461.679353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.679353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.679353 (E_RNA)
where:
Base-Base interactions energy: -1697.308
where: short stacking energy: -738.020
Base-Backbone interact. energy: -2.262
local terms energy: -762.109743
where:
bonds (distance) C4'-P energy: -130.040
bonds (distance) P-C4' energy: -140.552
flat angles C4'-P-C4' energy: -156.037
flat angles P-C4'-P energy: -104.053
tors. eta vs tors. theta energy: -231.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2266.957672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.957672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.957672 (E_RNA)
where:
Base-Base interactions energy: -1594.789
where: short stacking energy: -631.164
Base-Backbone interact. energy: -1.665
local terms energy: -670.503610
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -126.632
flat angles C4'-P-C4' energy: -145.755
flat angles P-C4'-P energy: -99.757
tors. eta vs tors. theta energy: -171.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2138.388194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.388194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.388194 (E_RNA)
where:
Base-Base interactions energy: -1452.503
where: short stacking energy: -624.474
Base-Backbone interact. energy: -2.322
local terms energy: -683.562742
where:
bonds (distance) C4'-P energy: -118.850
bonds (distance) P-C4' energy: -137.604
flat angles C4'-P-C4' energy: -149.032
flat angles P-C4'-P energy: -89.696
tors. eta vs tors. theta energy: -188.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1951.267698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.267698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.267698 (E_RNA)
where:
Base-Base interactions energy: -1322.921
where: short stacking energy: -590.010
Base-Backbone interact. energy: -0.514
local terms energy: -627.832658
where:
bonds (distance) C4'-P energy: -123.953
bonds (distance) P-C4' energy: -124.353
flat angles C4'-P-C4' energy: -131.627
flat angles P-C4'-P energy: -89.466
tors. eta vs tors. theta energy: -158.434
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: 253
Temperature: 1.200000
Total energy: -1678.131263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.131263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.131263 (E_RNA)
where:
Base-Base interactions energy: -1083.473
where: short stacking energy: -485.522
Base-Backbone interact. energy: -3.092
local terms energy: -591.566227
where:
bonds (distance) C4'-P energy: -123.749
bonds (distance) P-C4' energy: -114.592
flat angles C4'-P-C4' energy: -142.728
flat angles P-C4'-P energy: -84.746
tors. eta vs tors. theta energy: -125.752
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: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1364.741594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.741594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.741594 (E_RNA)
where:
Base-Base interactions energy: -853.822
where: short stacking energy: -427.503
Base-Backbone interact. energy: -1.727
local terms energy: -509.193209
where:
bonds (distance) C4'-P energy: -110.628
bonds (distance) P-C4' energy: -127.235
flat angles C4'-P-C4' energy: -116.679
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -90.143
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1004.885499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.885499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.885499 (E_RNA)
where:
Base-Base interactions energy: -568.620
where: short stacking energy: -277.608
Base-Backbone interact. energy: -2.286
local terms energy: -433.979657
where:
bonds (distance) C4'-P energy: -102.651
bonds (distance) P-C4' energy: -118.784
flat angles C4'-P-C4' energy: -115.742
flat angles P-C4'-P energy: -71.295
tors. eta vs tors. theta energy: -25.508
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: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -892.339271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.339271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.339271 (E_RNA)
where:
Base-Base interactions energy: -503.597
where: short stacking energy: -248.969
Base-Backbone interact. energy: -2.397
local terms energy: -386.345865
where:
bonds (distance) C4'-P energy: -101.741
bonds (distance) P-C4' energy: -114.250
flat angles C4'-P-C4' energy: -103.240
flat angles P-C4'-P energy: -67.223
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2543.093350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.093350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.093350 (E_RNA)
where:
Base-Base interactions energy: -1720.616
where: short stacking energy: -760.520
Base-Backbone interact. energy: -0.247
local terms energy: -822.230326
where:
bonds (distance) C4'-P energy: -149.789
bonds (distance) P-C4' energy: -143.511
flat angles C4'-P-C4' energy: -170.769
flat angles P-C4'-P energy: -118.261
tors. eta vs tors. theta energy: -239.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2435.298550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.298550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.298550 (E_RNA)
where:
Base-Base interactions energy: -1680.352
where: short stacking energy: -733.710
Base-Backbone interact. energy: -3.020
local terms energy: -751.926576
where:
bonds (distance) C4'-P energy: -133.397
bonds (distance) P-C4' energy: -131.523
flat angles C4'-P-C4' energy: -172.852
flat angles P-C4'-P energy: -98.913
tors. eta vs tors. theta energy: -215.241
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2448.486801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.486801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.486801 (E_RNA)
where:
Base-Base interactions energy: -1692.682
where: short stacking energy: -751.643
Base-Backbone interact. energy: -1.838
local terms energy: -753.966484
where:
bonds (distance) C4'-P energy: -121.361
bonds (distance) P-C4' energy: -137.771
flat angles C4'-P-C4' energy: -159.204
flat angles P-C4'-P energy: -107.206
tors. eta vs tors. theta energy: -228.424
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: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2264.563054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.563054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.563054 (E_RNA)
where:
Base-Base interactions energy: -1576.461
where: short stacking energy: -627.445
Base-Backbone interact. energy: 3.748
local terms energy: -691.849736
where:
bonds (distance) C4'-P energy: -136.179
bonds (distance) P-C4' energy: -131.393
flat angles C4'-P-C4' energy: -144.809
flat angles P-C4'-P energy: -102.412
tors. eta vs tors. theta energy: -177.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2033.278980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.278980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.278980 (E_RNA)
where:
Base-Base interactions energy: -1385.985
where: short stacking energy: -640.366
Base-Backbone interact. energy: -3.177
local terms energy: -644.116141
where:
bonds (distance) C4'-P energy: -121.894
bonds (distance) P-C4' energy: -123.719
flat angles C4'-P-C4' energy: -137.992
flat angles P-C4'-P energy: -78.859
tors. eta vs tors. theta energy: -181.652
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: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2097.648599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.648599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.648599 (E_RNA)
where:
Base-Base interactions energy: -1435.993
where: short stacking energy: -622.556
Base-Backbone interact. energy: 1.083
local terms energy: -662.738237
where:
bonds (distance) C4'-P energy: -119.715
bonds (distance) P-C4' energy: -114.017
flat angles C4'-P-C4' energy: -151.887
flat angles P-C4'-P energy: -95.432
tors. eta vs tors. theta energy: -181.688
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: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1619.545106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.545106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.545106 (E_RNA)
where:
Base-Base interactions energy: -1118.329
where: short stacking energy: -461.964
Base-Backbone interact. energy: -1.939
local terms energy: -499.276903
where:
bonds (distance) C4'-P energy: -106.977
bonds (distance) P-C4' energy: -119.110
flat angles C4'-P-C4' energy: -128.644
flat angles P-C4'-P energy: -55.092
tors. eta vs tors. theta energy: -89.454
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: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1372.768093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.768093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.768093 (E_RNA)
where:
Base-Base interactions energy: -870.282
where: short stacking energy: -418.103
Base-Backbone interact. energy: -1.446
local terms energy: -501.040237
where:
bonds (distance) C4'-P energy: -88.979
bonds (distance) P-C4' energy: -137.056
flat angles C4'-P-C4' energy: -120.589
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -73.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1020.709017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.709017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.709017 (E_RNA)
where:
Base-Base interactions energy: -619.990
where: short stacking energy: -285.435
Base-Backbone interact. energy: -5.068
local terms energy: -395.650609
where:
bonds (distance) C4'-P energy: -109.115
bonds (distance) P-C4' energy: -108.652
flat angles C4'-P-C4' energy: -104.999
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: -34.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -983.847485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.847485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.847485 (E_RNA)
where:
Base-Base interactions energy: -588.849
where: short stacking energy: -282.112
Base-Backbone interact. energy: 0.406
local terms energy: -395.404511
where:
bonds (distance) C4'-P energy: -125.023
bonds (distance) P-C4' energy: -107.765
flat angles C4'-P-C4' energy: -86.061
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -27.264
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: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2530.056871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.056871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.056871 (E_RNA)
where:
Base-Base interactions energy: -1766.689
where: short stacking energy: -762.111
Base-Backbone interact. energy: -2.812
local terms energy: -760.555399
where:
bonds (distance) C4'-P energy: -135.898
bonds (distance) P-C4' energy: -134.201
flat angles C4'-P-C4' energy: -170.959
flat angles P-C4'-P energy: -95.772
tors. eta vs tors. theta energy: -223.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2483.103393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.103393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.103393 (E_RNA)
where:
Base-Base interactions energy: -1695.610
where: short stacking energy: -735.287
Base-Backbone interact. energy: 0.204
local terms energy: -787.696723
where:
bonds (distance) C4'-P energy: -137.910
bonds (distance) P-C4' energy: -150.584
flat angles C4'-P-C4' energy: -169.080
flat angles P-C4'-P energy: -102.556
tors. eta vs tors. theta energy: -227.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2413.752373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.752373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.752373 (E_RNA)
where:
Base-Base interactions energy: -1662.652
where: short stacking energy: -721.371
Base-Backbone interact. energy: -4.435
local terms energy: -746.665413
where:
bonds (distance) C4'-P energy: -110.805
bonds (distance) P-C4' energy: -143.394
flat angles C4'-P-C4' energy: -165.512
flat angles P-C4'-P energy: -115.409
tors. eta vs tors. theta energy: -211.546
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: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2241.942654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.942654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.942654 (E_RNA)
where:
Base-Base interactions energy: -1579.079
where: short stacking energy: -616.126
Base-Backbone interact. energy: -3.518
local terms energy: -659.345542
where:
bonds (distance) C4'-P energy: -130.046
bonds (distance) P-C4' energy: -128.169
flat angles C4'-P-C4' energy: -133.285
flat angles P-C4'-P energy: -100.250
tors. eta vs tors. theta energy: -167.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2008.853180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.853180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.853180 (E_RNA)
where:
Base-Base interactions energy: -1342.442
where: short stacking energy: -593.203
Base-Backbone interact. energy: -3.364
local terms energy: -663.047910
where:
bonds (distance) C4'-P energy: -120.723
bonds (distance) P-C4' energy: -122.302
flat angles C4'-P-C4' energy: -137.994
flat angles P-C4'-P energy: -98.266
tors. eta vs tors. theta energy: -183.763
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: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2017.200263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.200263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.200263 (E_RNA)
where:
Base-Base interactions energy: -1360.681
where: short stacking energy: -578.048
Base-Backbone interact. energy: 0.900
local terms energy: -657.419337
where:
bonds (distance) C4'-P energy: -122.992
bonds (distance) P-C4' energy: -128.913
flat angles C4'-P-C4' energy: -140.575
flat angles P-C4'-P energy: -95.554
tors. eta vs tors. theta energy: -169.386
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: 255
Temperature: 1.200000
Total energy: -1646.438508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.438508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.438508 (E_RNA)
where:
Base-Base interactions energy: -1081.134
where: short stacking energy: -490.701
Base-Backbone interact. energy: -1.404
local terms energy: -563.900560
where:
bonds (distance) C4'-P energy: -118.283
bonds (distance) P-C4' energy: -123.357
flat angles C4'-P-C4' energy: -127.828
flat angles P-C4'-P energy: -74.249
tors. eta vs tors. theta energy: -120.183
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: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1417.345862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.345862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.345862 (E_RNA)
where:
Base-Base interactions energy: -876.869
where: short stacking energy: -441.869
Base-Backbone interact. energy: -1.199
local terms energy: -539.277217
where:
bonds (distance) C4'-P energy: -126.920
bonds (distance) P-C4' energy: -106.470
flat angles C4'-P-C4' energy: -137.655
flat angles P-C4'-P energy: -82.920
tors. eta vs tors. theta energy: -85.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1050.132485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.132485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.132485 (E_RNA)
where:
Base-Base interactions energy: -576.446
where: short stacking energy: -262.130
Base-Backbone interact. energy: 2.860
local terms energy: -476.546299
where:
bonds (distance) C4'-P energy: -127.663
bonds (distance) P-C4' energy: -137.355
flat angles C4'-P-C4' energy: -126.145
flat angles P-C4'-P energy: -59.764
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -981.349907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.349907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.349907 (E_RNA)
where:
Base-Base interactions energy: -587.602
where: short stacking energy: -296.355
Base-Backbone interact. energy: 6.767
local terms energy: -400.514405
where:
bonds (distance) C4'-P energy: -89.787
bonds (distance) P-C4' energy: -129.357
flat angles C4'-P-C4' energy: -96.532
flat angles P-C4'-P energy: -57.474
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2516.931192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.931192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.931192 (E_RNA)
where:
Base-Base interactions energy: -1719.291
where: short stacking energy: -760.992
Base-Backbone interact. energy: -5.604
local terms energy: -792.036393
where:
bonds (distance) C4'-P energy: -132.678
bonds (distance) P-C4' energy: -148.693
flat angles C4'-P-C4' energy: -163.874
flat angles P-C4'-P energy: -114.470
tors. eta vs tors. theta energy: -232.321
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: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2486.472457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.472457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.472457 (E_RNA)
where:
Base-Base interactions energy: -1713.414
where: short stacking energy: -747.065
Base-Backbone interact. energy: -2.671
local terms energy: -770.387418
where:
bonds (distance) C4'-P energy: -131.032
bonds (distance) P-C4' energy: -128.842
flat angles C4'-P-C4' energy: -166.566
flat angles P-C4'-P energy: -110.527
tors. eta vs tors. theta energy: -233.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2405.603163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.603163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.603163 (E_RNA)
where:
Base-Base interactions energy: -1672.072
where: short stacking energy: -723.468
Base-Backbone interact. energy: -0.407
local terms energy: -733.123497
where:
bonds (distance) C4'-P energy: -122.550
bonds (distance) P-C4' energy: -143.888
flat angles C4'-P-C4' energy: -149.597
flat angles P-C4'-P energy: -108.879
tors. eta vs tors. theta energy: -208.208
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2250.127021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.127021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.127021 (E_RNA)
where:
Base-Base interactions energy: -1564.031
where: short stacking energy: -637.121
Base-Backbone interact. energy: -1.144
local terms energy: -684.951539
where:
bonds (distance) C4'-P energy: -131.233
bonds (distance) P-C4' energy: -129.657
flat angles C4'-P-C4' energy: -136.898
flat angles P-C4'-P energy: -101.926
tors. eta vs tors. theta energy: -185.238
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: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2111.668931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.668931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.668931 (E_RNA)
where:
Base-Base interactions energy: -1411.992
where: short stacking energy: -620.353
Base-Backbone interact. energy: -2.304
local terms energy: -697.373414
where:
bonds (distance) C4'-P energy: -129.453
bonds (distance) P-C4' energy: -136.160
flat angles C4'-P-C4' energy: -155.495
flat angles P-C4'-P energy: -87.343
tors. eta vs tors. theta energy: -188.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1967.745422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.745422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.745422 (E_RNA)
where:
Base-Base interactions energy: -1366.583
where: short stacking energy: -563.229
Base-Backbone interact. energy: 3.644
local terms energy: -604.806339
where:
bonds (distance) C4'-P energy: -110.414
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -119.892
flat angles P-C4'-P energy: -86.913
tors. eta vs tors. theta energy: -160.265
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: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1583.041557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.041557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.041557 (E_RNA)
where:
Base-Base interactions energy: -1055.451
where: short stacking energy: -456.546
Base-Backbone interact. energy: -1.226
local terms energy: -526.364852
where:
bonds (distance) C4'-P energy: -115.790
bonds (distance) P-C4' energy: -117.754
flat angles C4'-P-C4' energy: -117.893
flat angles P-C4'-P energy: -73.185
tors. eta vs tors. theta energy: -101.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1399.141866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.141866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.141866 (E_RNA)
where:
Base-Base interactions energy: -864.728
where: short stacking energy: -399.127
Base-Backbone interact. energy: 3.097
local terms energy: -537.510331
where:
bonds (distance) C4'-P energy: -106.880
bonds (distance) P-C4' energy: -124.060
flat angles C4'-P-C4' energy: -131.099
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -96.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1040.344350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.344350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.344350 (E_RNA)
where:
Base-Base interactions energy: -627.819
where: short stacking energy: -336.804
Base-Backbone interact. energy: 3.150
local terms energy: -415.675540
where:
bonds (distance) C4'-P energy: -116.234
bonds (distance) P-C4' energy: -114.337
flat angles C4'-P-C4' energy: -103.178
flat angles P-C4'-P energy: -52.409
tors. eta vs tors. theta energy: -29.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -919.925824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.925824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.925824 (E_RNA)
where:
Base-Base interactions energy: -520.470
where: short stacking energy: -263.225
Base-Backbone interact. energy: -1.444
local terms energy: -398.012458
where:
bonds (distance) C4'-P energy: -107.452
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -103.070
flat angles P-C4'-P energy: -67.965
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2503.185176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.185176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.185176 (E_RNA)
where:
Base-Base interactions energy: -1730.736
where: short stacking energy: -752.274
Base-Backbone interact. energy: -1.693
local terms energy: -770.755637
where:
bonds (distance) C4'-P energy: -135.957
bonds (distance) P-C4' energy: -148.894
flat angles C4'-P-C4' energy: -162.435
flat angles P-C4'-P energy: -107.432
tors. eta vs tors. theta energy: -216.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2481.758647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.758647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.758647 (E_RNA)
where:
Base-Base interactions energy: -1723.034
where: short stacking energy: -723.680
Base-Backbone interact. energy: -1.234
local terms energy: -757.489762
where:
bonds (distance) C4'-P energy: -134.845
bonds (distance) P-C4' energy: -149.342
flat angles C4'-P-C4' energy: -158.846
flat angles P-C4'-P energy: -97.983
tors. eta vs tors. theta energy: -216.474
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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2379.203648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.203648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.203648 (E_RNA)
where:
Base-Base interactions energy: -1627.497
where: short stacking energy: -698.348
Base-Backbone interact. energy: -6.170
local terms energy: -745.536489
where:
bonds (distance) C4'-P energy: -142.565
bonds (distance) P-C4' energy: -131.169
flat angles C4'-P-C4' energy: -149.852
flat angles P-C4'-P energy: -111.205
tors. eta vs tors. theta energy: -210.747
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: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2302.863595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.863595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.863595 (E_RNA)
where:
Base-Base interactions energy: -1605.335
where: short stacking energy: -658.900
Base-Backbone interact. energy: -4.856
local terms energy: -692.672585
where:
bonds (distance) C4'-P energy: -129.446
bonds (distance) P-C4' energy: -146.402
flat angles C4'-P-C4' energy: -146.229
flat angles P-C4'-P energy: -94.711
tors. eta vs tors. theta energy: -175.885
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: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2093.480898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.480898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.480898 (E_RNA)
where:
Base-Base interactions energy: -1407.648
where: short stacking energy: -639.966
Base-Backbone interact. energy: -2.025
local terms energy: -683.808342
where:
bonds (distance) C4'-P energy: -127.737
bonds (distance) P-C4' energy: -131.927
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -100.742
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: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1921.947205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.947205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.947205 (E_RNA)
where:
Base-Base interactions energy: -1295.732
where: short stacking energy: -549.582
Base-Backbone interact. energy: -0.212
local terms energy: -626.003115
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -133.513
flat angles C4'-P-C4' energy: -132.601
flat angles P-C4'-P energy: -93.764
tors. eta vs tors. theta energy: -161.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1627.883150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.883150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.883150 (E_RNA)
where:
Base-Base interactions energy: -1063.705
where: short stacking energy: -475.414
Base-Backbone interact. energy: -1.220
local terms energy: -562.958097
where:
bonds (distance) C4'-P energy: -128.352
bonds (distance) P-C4' energy: -125.780
flat angles C4'-P-C4' energy: -125.420
flat angles P-C4'-P energy: -81.969
tors. eta vs tors. theta energy: -101.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1367.467944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.467944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.467944 (E_RNA)
where:
Base-Base interactions energy: -866.569
where: short stacking energy: -414.957
Base-Backbone interact. energy: 2.863
local terms energy: -503.762746
where:
bonds (distance) C4'-P energy: -106.834
bonds (distance) P-C4' energy: -112.817
flat angles C4'-P-C4' energy: -141.249
flat angles P-C4'-P energy: -77.080
tors. eta vs tors. theta energy: -65.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1065.736797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.736797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.736797 (E_RNA)
where:
Base-Base interactions energy: -605.328
where: short stacking energy: -309.210
Base-Backbone interact. energy: 0.473
local terms energy: -460.882118
where:
bonds (distance) C4'-P energy: -108.425
bonds (distance) P-C4' energy: -122.034
flat angles C4'-P-C4' energy: -111.081
flat angles P-C4'-P energy: -69.303
tors. eta vs tors. theta energy: -50.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -910.083434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.083434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.083434 (E_RNA)
where:
Base-Base interactions energy: -489.576
where: short stacking energy: -265.480
Base-Backbone interact. energy: -1.668
local terms energy: -418.840083
where:
bonds (distance) C4'-P energy: -116.265
bonds (distance) P-C4' energy: -119.834
flat angles C4'-P-C4' energy: -131.117
flat angles P-C4'-P energy: -40.267
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2541.797817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.797817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.797817 (E_RNA)
where:
Base-Base interactions energy: -1732.691
where: short stacking energy: -777.595
Base-Backbone interact. energy: -3.080
local terms energy: -806.026351
where:
bonds (distance) C4'-P energy: -151.604
bonds (distance) P-C4' energy: -135.101
flat angles C4'-P-C4' energy: -172.673
flat angles P-C4'-P energy: -112.657
tors. eta vs tors. theta energy: -233.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2461.038902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.038902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.038902 (E_RNA)
where:
Base-Base interactions energy: -1667.448
where: short stacking energy: -745.111
Base-Backbone interact. energy: -6.317
local terms energy: -787.274231
where:
bonds (distance) C4'-P energy: -149.590
bonds (distance) P-C4' energy: -137.332
flat angles C4'-P-C4' energy: -155.467
flat angles P-C4'-P energy: -124.087
tors. eta vs tors. theta energy: -220.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2394.935951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.935951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.935951 (E_RNA)
where:
Base-Base interactions energy: -1678.324
where: short stacking energy: -725.958
Base-Backbone interact. energy: -2.518
local terms energy: -714.094095
where:
bonds (distance) C4'-P energy: -117.729
bonds (distance) P-C4' energy: -126.079
flat angles C4'-P-C4' energy: -148.715
flat angles P-C4'-P energy: -101.990
tors. eta vs tors. theta energy: -219.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2256.221268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.221268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.221268 (E_RNA)
where:
Base-Base interactions energy: -1591.285
where: short stacking energy: -661.463
Base-Backbone interact. energy: 3.263
local terms energy: -668.199368
where:
bonds (distance) C4'-P energy: -122.238
bonds (distance) P-C4' energy: -138.504
flat angles C4'-P-C4' energy: -146.694
flat angles P-C4'-P energy: -93.507
tors. eta vs tors. theta energy: -167.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2108.634073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.634073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.634073 (E_RNA)
where:
Base-Base interactions energy: -1430.489
where: short stacking energy: -663.275
Base-Backbone interact. energy: -0.263
local terms energy: -677.881859
where:
bonds (distance) C4'-P energy: -133.700
bonds (distance) P-C4' energy: -134.373
flat angles C4'-P-C4' energy: -144.077
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -198.516
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: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1898.126295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.126295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.126295 (E_RNA)
where:
Base-Base interactions energy: -1252.809
where: short stacking energy: -582.270
Base-Backbone interact. energy: -6.860
local terms energy: -638.457795
where:
bonds (distance) C4'-P energy: -100.478
bonds (distance) P-C4' energy: -117.456
flat angles C4'-P-C4' energy: -163.547
flat angles P-C4'-P energy: -95.745
tors. eta vs tors. theta energy: -161.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1722.327570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.327570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.327570 (E_RNA)
where:
Base-Base interactions energy: -1125.805
where: short stacking energy: -489.887
Base-Backbone interact. energy: -0.473
local terms energy: -596.049589
where:
bonds (distance) C4'-P energy: -111.421
bonds (distance) P-C4' energy: -135.402
flat angles C4'-P-C4' energy: -140.993
flat angles P-C4'-P energy: -88.271
tors. eta vs tors. theta energy: -119.963
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: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1289.939904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.939904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.939904 (E_RNA)
where:
Base-Base interactions energy: -786.073
where: short stacking energy: -372.480
Base-Backbone interact. energy: 1.078
local terms energy: -504.944300
where:
bonds (distance) C4'-P energy: -106.765
bonds (distance) P-C4' energy: -130.499
flat angles C4'-P-C4' energy: -108.093
flat angles P-C4'-P energy: -83.474
tors. eta vs tors. theta energy: -76.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1152.545628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.545628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.545628 (E_RNA)
where:
Base-Base interactions energy: -706.436
where: short stacking energy: -352.154
Base-Backbone interact. energy: 5.575
local terms energy: -451.684424
where:
bonds (distance) C4'-P energy: -114.500
bonds (distance) P-C4' energy: -117.888
flat angles C4'-P-C4' energy: -105.308
flat angles P-C4'-P energy: -50.171
tors. eta vs tors. theta energy: -63.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -914.071366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.071366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.071366 (E_RNA)
where:
Base-Base interactions energy: -472.231
where: short stacking energy: -255.466
Base-Backbone interact. energy: 0.430
local terms energy: -442.270202
where:
bonds (distance) C4'-P energy: -120.765
bonds (distance) P-C4' energy: -129.271
flat angles C4'-P-C4' energy: -102.464
flat angles P-C4'-P energy: -64.246
tors. eta vs tors. theta energy: -25.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2528.141335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.141335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.141335 (E_RNA)
where:
Base-Base interactions energy: -1705.607
where: short stacking energy: -752.747
Base-Backbone interact. energy: -3.395
local terms energy: -819.139074
where:
bonds (distance) C4'-P energy: -155.239
bonds (distance) P-C4' energy: -149.953
flat angles C4'-P-C4' energy: -169.521
flat angles P-C4'-P energy: -118.208
tors. eta vs tors. theta energy: -226.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2428.632910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.632910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.632910 (E_RNA)
where:
Base-Base interactions energy: -1670.034
where: short stacking energy: -745.296
Base-Backbone interact. energy: -0.076
local terms energy: -758.522086
where:
bonds (distance) C4'-P energy: -127.163
bonds (distance) P-C4' energy: -137.262
flat angles C4'-P-C4' energy: -161.990
flat angles P-C4'-P energy: -112.360
tors. eta vs tors. theta energy: -219.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2395.553912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.553912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.553912 (E_RNA)
where:
Base-Base interactions energy: -1659.697
where: short stacking energy: -705.076
Base-Backbone interact. energy: -2.101
local terms energy: -733.756475
where:
bonds (distance) C4'-P energy: -118.283
bonds (distance) P-C4' energy: -145.690
flat angles C4'-P-C4' energy: -164.997
flat angles P-C4'-P energy: -89.886
tors. eta vs tors. theta energy: -214.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2225.603394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.603394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.603394 (E_RNA)
where:
Base-Base interactions energy: -1538.572
where: short stacking energy: -629.523
Base-Backbone interact. energy: -0.465
local terms energy: -686.566703
where:
bonds (distance) C4'-P energy: -137.933
bonds (distance) P-C4' energy: -137.814
flat angles C4'-P-C4' energy: -144.613
flat angles P-C4'-P energy: -98.785
tors. eta vs tors. theta energy: -167.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2110.551289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.551289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.551289 (E_RNA)
where:
Base-Base interactions energy: -1433.358
where: short stacking energy: -638.613
Base-Backbone interact. energy: -2.539
local terms energy: -674.654263
where:
bonds (distance) C4'-P energy: -128.209
bonds (distance) P-C4' energy: -127.904
flat angles C4'-P-C4' energy: -131.616
flat angles P-C4'-P energy: -93.324
tors. eta vs tors. theta energy: -193.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1841.496988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.496988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.496988 (E_RNA)
where:
Base-Base interactions energy: -1218.580
where: short stacking energy: -536.888
Base-Backbone interact. energy: -3.131
local terms energy: -619.785220
where:
bonds (distance) C4'-P energy: -127.678
bonds (distance) P-C4' energy: -126.605
flat angles C4'-P-C4' energy: -140.438
flat angles P-C4'-P energy: -88.693
tors. eta vs tors. theta energy: -136.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1680.788351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.788351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.788351 (E_RNA)
where:
Base-Base interactions energy: -1132.645
where: short stacking energy: -479.804
Base-Backbone interact. energy: -0.209
local terms energy: -547.934737
where:
bonds (distance) C4'-P energy: -112.026
bonds (distance) P-C4' energy: -112.493
flat angles C4'-P-C4' energy: -129.188
flat angles P-C4'-P energy: -80.089
tors. eta vs tors. theta energy: -114.139
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1298.171091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.171091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.171091 (E_RNA)
where:
Base-Base interactions energy: -811.485
where: short stacking energy: -378.965
Base-Backbone interact. energy: -0.868
local terms energy: -485.817448
where:
bonds (distance) C4'-P energy: -101.303
bonds (distance) P-C4' energy: -120.221
flat angles C4'-P-C4' energy: -128.555
flat angles P-C4'-P energy: -66.632
tors. eta vs tors. theta energy: -69.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1077.573508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.573508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.573508 (E_RNA)
where:
Base-Base interactions energy: -645.691
where: short stacking energy: -303.853
Base-Backbone interact. energy: -0.513
local terms energy: -431.369703
where:
bonds (distance) C4'-P energy: -111.631
bonds (distance) P-C4' energy: -97.059
flat angles C4'-P-C4' energy: -110.726
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -41.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -913.114622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.114622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.114622 (E_RNA)
where:
Base-Base interactions energy: -490.338
where: short stacking energy: -260.428
Base-Backbone interact. energy: 2.257
local terms energy: -425.033642
where:
bonds (distance) C4'-P energy: -102.955
bonds (distance) P-C4' energy: -117.864
flat angles C4'-P-C4' energy: -113.548
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2528.724579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.724579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.724579 (E_RNA)
where:
Base-Base interactions energy: -1728.992
where: short stacking energy: -760.097
Base-Backbone interact. energy: -4.614
local terms energy: -795.118411
where:
bonds (distance) C4'-P energy: -145.964
bonds (distance) P-C4' energy: -155.505
flat angles C4'-P-C4' energy: -163.650
flat angles P-C4'-P energy: -99.542
tors. eta vs tors. theta energy: -230.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2427.645311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.645311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.645311 (E_RNA)
where:
Base-Base interactions energy: -1665.116
where: short stacking energy: -744.623
Base-Backbone interact. energy: -5.470
local terms energy: -757.059439
where:
bonds (distance) C4'-P energy: -135.194
bonds (distance) P-C4' energy: -134.427
flat angles C4'-P-C4' energy: -164.927
flat angles P-C4'-P energy: -99.131
tors. eta vs tors. theta energy: -223.380
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: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2358.459259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.459259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.459259 (E_RNA)
where:
Base-Base interactions energy: -1628.579
where: short stacking energy: -702.181
Base-Backbone interact. energy: -3.509
local terms energy: -726.370336
where:
bonds (distance) C4'-P energy: -125.418
bonds (distance) P-C4' energy: -136.756
flat angles C4'-P-C4' energy: -153.735
flat angles P-C4'-P energy: -112.049
tors. eta vs tors. theta energy: -198.412
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: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2229.477330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.477330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.477330 (E_RNA)
where:
Base-Base interactions energy: -1552.895
where: short stacking energy: -638.879
Base-Backbone interact. energy: 0.233
local terms energy: -676.815212
where:
bonds (distance) C4'-P energy: -120.889
bonds (distance) P-C4' energy: -138.417
flat angles C4'-P-C4' energy: -148.440
flat angles P-C4'-P energy: -101.730
tors. eta vs tors. theta energy: -167.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2126.061984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.061984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.061984 (E_RNA)
where:
Base-Base interactions energy: -1474.717
where: short stacking energy: -670.950
Base-Backbone interact. energy: -2.270
local terms energy: -649.075280
where:
bonds (distance) C4'-P energy: -112.540
bonds (distance) P-C4' energy: -130.099
flat angles C4'-P-C4' energy: -133.785
flat angles P-C4'-P energy: -92.623
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: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1832.051524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.051524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.051524 (E_RNA)
where:
Base-Base interactions energy: -1240.811
where: short stacking energy: -532.990
Base-Backbone interact. energy: 0.539
local terms energy: -591.779581
where:
bonds (distance) C4'-P energy: -121.017
bonds (distance) P-C4' energy: -110.724
flat angles C4'-P-C4' energy: -125.946
flat angles P-C4'-P energy: -92.141
tors. eta vs tors. theta energy: -141.952
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: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1666.049166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.049166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.049166 (E_RNA)
where:
Base-Base interactions energy: -1095.036
where: short stacking energy: -500.927
Base-Backbone interact. energy: 3.124
local terms energy: -574.136877
where:
bonds (distance) C4'-P energy: -128.500
bonds (distance) P-C4' energy: -125.385
flat angles C4'-P-C4' energy: -116.841
flat angles P-C4'-P energy: -88.598
tors. eta vs tors. theta energy: -114.812
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: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1250.352426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.352426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.352426 (E_RNA)
where:
Base-Base interactions energy: -762.080
where: short stacking energy: -359.062
Base-Backbone interact. energy: 7.244
local terms energy: -495.515800
where:
bonds (distance) C4'-P energy: -113.794
bonds (distance) P-C4' energy: -116.714
flat angles C4'-P-C4' energy: -111.634
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -73.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1116.800017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.800017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.800017 (E_RNA)
where:
Base-Base interactions energy: -661.756
where: short stacking energy: -302.301
Base-Backbone interact. energy: -3.394
local terms energy: -451.649733
where:
bonds (distance) C4'-P energy: -125.245
bonds (distance) P-C4' energy: -105.480
flat angles C4'-P-C4' energy: -123.628
flat angles P-C4'-P energy: -54.237
tors. eta vs tors. theta energy: -43.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -908.688486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.688486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.688486 (E_RNA)
where:
Base-Base interactions energy: -512.001
where: short stacking energy: -262.240
Base-Backbone interact. energy: 2.743
local terms energy: -399.429945
where:
bonds (distance) C4'-P energy: -102.578
bonds (distance) P-C4' energy: -96.420
flat angles C4'-P-C4' energy: -106.729
flat angles P-C4'-P energy: -66.921
tors. eta vs tors. theta energy: -26.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2561.388980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.388980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.388980 (E_RNA)
where:
Base-Base interactions energy: -1780.846
where: short stacking energy: -788.650
Base-Backbone interact. energy: -3.854
local terms energy: -776.688909
where:
bonds (distance) C4'-P energy: -133.436
bonds (distance) P-C4' energy: -149.073
flat angles C4'-P-C4' energy: -163.690
flat angles P-C4'-P energy: -101.848
tors. eta vs tors. theta energy: -228.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2403.720247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.720247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.720247 (E_RNA)
where:
Base-Base interactions energy: -1654.379
where: short stacking energy: -724.204
Base-Backbone interact. energy: 0.097
local terms energy: -749.438184
where:
bonds (distance) C4'-P energy: -139.943
bonds (distance) P-C4' energy: -136.689
flat angles C4'-P-C4' energy: -159.710
flat angles P-C4'-P energy: -109.088
tors. eta vs tors. theta energy: -204.009
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: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2402.152768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.152768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.152768 (E_RNA)
where:
Base-Base interactions energy: -1658.887
where: short stacking energy: -722.572
Base-Backbone interact. energy: -4.231
local terms energy: -739.035049
where:
bonds (distance) C4'-P energy: -132.009
bonds (distance) P-C4' energy: -124.476
flat angles C4'-P-C4' energy: -152.945
flat angles P-C4'-P energy: -106.784
tors. eta vs tors. theta energy: -222.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2221.268363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.268363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.268363 (E_RNA)
where:
Base-Base interactions energy: -1559.722
where: short stacking energy: -644.729
Base-Backbone interact. energy: 0.920
local terms energy: -662.466688
where:
bonds (distance) C4'-P energy: -116.629
bonds (distance) P-C4' energy: -135.790
flat angles C4'-P-C4' energy: -144.529
flat angles P-C4'-P energy: -98.393
tors. eta vs tors. theta energy: -167.125
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: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2111.492316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.492316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.492316 (E_RNA)
where:
Base-Base interactions energy: -1430.284
where: short stacking energy: -639.390
Base-Backbone interact. energy: -0.609
local terms energy: -680.598720
where:
bonds (distance) C4'-P energy: -113.005
bonds (distance) P-C4' energy: -125.423
flat angles C4'-P-C4' energy: -145.869
flat angles P-C4'-P energy: -100.320
tors. eta vs tors. theta energy: -195.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1897.280843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.280843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.280843 (E_RNA)
where:
Base-Base interactions energy: -1288.993
where: short stacking energy: -577.123
Base-Backbone interact. energy: 1.335
local terms energy: -609.623349
where:
bonds (distance) C4'-P energy: -111.266
bonds (distance) P-C4' energy: -132.556
flat angles C4'-P-C4' energy: -122.170
flat angles P-C4'-P energy: -77.083
tors. eta vs tors. theta energy: -166.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1743.020085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.020085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.020085 (E_RNA)
where:
Base-Base interactions energy: -1175.161
where: short stacking energy: -515.125
Base-Backbone interact. energy: 4.753
local terms energy: -572.612327
where:
bonds (distance) C4'-P energy: -121.423
bonds (distance) P-C4' energy: -119.986
flat angles C4'-P-C4' energy: -137.690
flat angles P-C4'-P energy: -76.144
tors. eta vs tors. theta energy: -117.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1310.734976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.734976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.734976 (E_RNA)
where:
Base-Base interactions energy: -787.372
where: short stacking energy: -364.305
Base-Backbone interact. energy: -0.666
local terms energy: -522.696733
where:
bonds (distance) C4'-P energy: -127.278
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -120.921
flat angles P-C4'-P energy: -66.637
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1114.688609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.688609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.688609 (E_RNA)
where:
Base-Base interactions energy: -685.545
where: short stacking energy: -333.977
Base-Backbone interact. energy: -0.236
local terms energy: -428.907528
where:
bonds (distance) C4'-P energy: -101.962
bonds (distance) P-C4' energy: -104.571
flat angles C4'-P-C4' energy: -123.295
flat angles P-C4'-P energy: -58.768
tors. eta vs tors. theta energy: -40.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -897.645192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.645192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.645192 (E_RNA)
where:
Base-Base interactions energy: -489.557
where: short stacking energy: -250.147
Base-Backbone interact. energy: 7.859
local terms energy: -415.947260
where:
bonds (distance) C4'-P energy: -119.662
bonds (distance) P-C4' energy: -113.001
flat angles C4'-P-C4' energy: -101.873
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: -15.952
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: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2541.448803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.448803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.448803 (E_RNA)
where:
Base-Base interactions energy: -1733.462
where: short stacking energy: -772.351
Base-Backbone interact. energy: -3.269
local terms energy: -804.718723
where:
bonds (distance) C4'-P energy: -146.097
bonds (distance) P-C4' energy: -154.056
flat angles C4'-P-C4' energy: -169.698
flat angles P-C4'-P energy: -106.626
tors. eta vs tors. theta energy: -228.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2447.585798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.585798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.585798 (E_RNA)
where:
Base-Base interactions energy: -1697.707
where: short stacking energy: -718.229
Base-Backbone interact. energy: -1.109
local terms energy: -748.770137
where:
bonds (distance) C4'-P energy: -133.920
bonds (distance) P-C4' energy: -131.705
flat angles C4'-P-C4' energy: -169.556
flat angles P-C4'-P energy: -99.090
tors. eta vs tors. theta energy: -214.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2384.845166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.845166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.845166 (E_RNA)
where:
Base-Base interactions energy: -1646.715
where: short stacking energy: -702.906
Base-Backbone interact. energy: -3.934
local terms energy: -734.196171
where:
bonds (distance) C4'-P energy: -128.479
bonds (distance) P-C4' energy: -155.088
flat angles C4'-P-C4' energy: -148.985
flat angles P-C4'-P energy: -85.105
tors. eta vs tors. theta energy: -216.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2266.517211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.517211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.517211 (E_RNA)
where:
Base-Base interactions energy: -1589.932
where: short stacking energy: -640.733
Base-Backbone interact. energy: 2.794
local terms energy: -679.379663
where:
bonds (distance) C4'-P energy: -140.949
bonds (distance) P-C4' energy: -134.768
flat angles C4'-P-C4' energy: -138.793
flat angles P-C4'-P energy: -80.525
tors. eta vs tors. theta energy: -184.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2129.528126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.528126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.528126 (E_RNA)
where:
Base-Base interactions energy: -1463.502
where: short stacking energy: -647.664
Base-Backbone interact. energy: -1.637
local terms energy: -664.389631
where:
bonds (distance) C4'-P energy: -139.383
bonds (distance) P-C4' energy: -110.024
flat angles C4'-P-C4' energy: -141.949
flat angles P-C4'-P energy: -91.619
tors. eta vs tors. theta energy: -181.415
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: 262
Temperature: 1.150000
Total energy: -1901.272287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.272287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.272287 (E_RNA)
where:
Base-Base interactions energy: -1272.699
where: short stacking energy: -553.014
Base-Backbone interact. energy: -2.236
local terms energy: -626.337245
where:
bonds (distance) C4'-P energy: -129.110
bonds (distance) P-C4' energy: -109.091
flat angles C4'-P-C4' energy: -144.139
flat angles P-C4'-P energy: -91.241
tors. eta vs tors. theta energy: -152.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1687.713353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.713353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.713353 (E_RNA)
where:
Base-Base interactions energy: -1123.862
where: short stacking energy: -486.233
Base-Backbone interact. energy: -0.376
local terms energy: -563.475236
where:
bonds (distance) C4'-P energy: -115.794
bonds (distance) P-C4' energy: -123.830
flat angles C4'-P-C4' energy: -148.802
flat angles P-C4'-P energy: -65.411
tors. eta vs tors. theta energy: -109.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1289.379098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.379098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.379098 (E_RNA)
where:
Base-Base interactions energy: -783.766
where: short stacking energy: -362.336
Base-Backbone interact. energy: 2.990
local terms energy: -508.603129
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -130.003
flat angles C4'-P-C4' energy: -114.294
flat angles P-C4'-P energy: -72.812
tors. eta vs tors. theta energy: -67.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1097.142178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.142178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.142178 (E_RNA)
where:
Base-Base interactions energy: -645.544
where: short stacking energy: -304.376
Base-Backbone interact. energy: 4.166
local terms energy: -455.764853
where:
bonds (distance) C4'-P energy: -119.385
bonds (distance) P-C4' energy: -136.393
flat angles C4'-P-C4' energy: -102.023
flat angles P-C4'-P energy: -68.300
tors. eta vs tors. theta energy: -29.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -786.935909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.935909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.935909 (E_RNA)
where:
Base-Base interactions energy: -424.244
where: short stacking energy: -227.417
Base-Backbone interact. energy: -0.183
local terms energy: -362.508569
where:
bonds (distance) C4'-P energy: -117.614
bonds (distance) P-C4' energy: -113.445
flat angles C4'-P-C4' energy: -102.357
flat angles P-C4'-P energy: -46.493
tors. eta vs tors. theta energy: 17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2555.841194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.841194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.841194 (E_RNA)
where:
Base-Base interactions energy: -1757.651
where: short stacking energy: -791.420
Base-Backbone interact. energy: -2.707
local terms energy: -795.483653
where:
bonds (distance) C4'-P energy: -134.523
bonds (distance) P-C4' energy: -145.991
flat angles C4'-P-C4' energy: -162.759
flat angles P-C4'-P energy: -112.728
tors. eta vs tors. theta energy: -239.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2457.810139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.810139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.810139 (E_RNA)
where:
Base-Base interactions energy: -1684.730
where: short stacking energy: -708.233
Base-Backbone interact. energy: 0.951
local terms energy: -774.031985
where:
bonds (distance) C4'-P energy: -158.446
bonds (distance) P-C4' energy: -132.644
flat angles C4'-P-C4' energy: -169.653
flat angles P-C4'-P energy: -104.980
tors. eta vs tors. theta energy: -208.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2375.103755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.103755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.103755 (E_RNA)
where:
Base-Base interactions energy: -1637.030
where: short stacking energy: -701.484
Base-Backbone interact. energy: 0.773
local terms energy: -738.846946
where:
bonds (distance) C4'-P energy: -123.900
bonds (distance) P-C4' energy: -147.729
flat angles C4'-P-C4' energy: -146.468
flat angles P-C4'-P energy: -116.328
tors. eta vs tors. theta energy: -204.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2297.723296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.723296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.723296 (E_RNA)
where:
Base-Base interactions energy: -1615.910
where: short stacking energy: -643.081
Base-Backbone interact. energy: -0.594
local terms energy: -681.219697
where:
bonds (distance) C4'-P energy: -113.423
bonds (distance) P-C4' energy: -137.813
flat angles C4'-P-C4' energy: -147.416
flat angles P-C4'-P energy: -96.850
tors. eta vs tors. theta energy: -185.718
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: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2129.266306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.266306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.266306 (E_RNA)
where:
Base-Base interactions energy: -1436.660
where: short stacking energy: -641.470
Base-Backbone interact. energy: -1.417
local terms energy: -691.189334
where:
bonds (distance) C4'-P energy: -127.716
bonds (distance) P-C4' energy: -124.694
flat angles C4'-P-C4' energy: -147.899
flat angles P-C4'-P energy: -111.349
tors. eta vs tors. theta energy: -179.531
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: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1830.668277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.668277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.668277 (E_RNA)
where:
Base-Base interactions energy: -1233.590
where: short stacking energy: -569.021
Base-Backbone interact. energy: 4.898
local terms energy: -601.975889
where:
bonds (distance) C4'-P energy: -108.301
bonds (distance) P-C4' energy: -112.107
flat angles C4'-P-C4' energy: -141.432
flat angles P-C4'-P energy: -91.708
tors. eta vs tors. theta energy: -148.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1726.313247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.313247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.313247 (E_RNA)
where:
Base-Base interactions energy: -1155.157
where: short stacking energy: -493.382
Base-Backbone interact. energy: -2.132
local terms energy: -569.023923
where:
bonds (distance) C4'-P energy: -106.806
bonds (distance) P-C4' energy: -118.243
flat angles C4'-P-C4' energy: -145.046
flat angles P-C4'-P energy: -80.741
tors. eta vs tors. theta energy: -118.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1253.920955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.920955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.920955 (E_RNA)
where:
Base-Base interactions energy: -748.045
where: short stacking energy: -372.642
Base-Backbone interact. energy: -0.986
local terms energy: -504.890315
where:
bonds (distance) C4'-P energy: -101.667
bonds (distance) P-C4' energy: -121.214
flat angles C4'-P-C4' energy: -127.964
flat angles P-C4'-P energy: -75.092
tors. eta vs tors. theta energy: -78.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1182.358542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.358542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.358542 (E_RNA)
where:
Base-Base interactions energy: -725.076
where: short stacking energy: -322.749
Base-Backbone interact. energy: 0.737
local terms energy: -458.020158
where:
bonds (distance) C4'-P energy: -112.098
bonds (distance) P-C4' energy: -123.472
flat angles C4'-P-C4' energy: -105.916
flat angles P-C4'-P energy: -62.692
tors. eta vs tors. theta energy: -53.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -763.982346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.982346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.982346 (E_RNA)
where:
Base-Base interactions energy: -380.549
where: short stacking energy: -216.931
Base-Backbone interact. energy: -0.855
local terms energy: -382.578326
where:
bonds (distance) C4'-P energy: -111.004
bonds (distance) P-C4' energy: -121.817
flat angles C4'-P-C4' energy: -87.966
flat angles P-C4'-P energy: -80.337
tors. eta vs tors. theta energy: 18.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2547.745554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.745554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.745554 (E_RNA)
where:
Base-Base interactions energy: -1746.358
where: short stacking energy: -774.232
Base-Backbone interact. energy: -2.937
local terms energy: -798.450539
where:
bonds (distance) C4'-P energy: -141.831
bonds (distance) P-C4' energy: -139.061
flat angles C4'-P-C4' energy: -164.994
flat angles P-C4'-P energy: -113.301
tors. eta vs tors. theta energy: -239.264
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: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2453.049428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.049428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.049428 (E_RNA)
where:
Base-Base interactions energy: -1679.926
where: short stacking energy: -729.230
Base-Backbone interact. energy: -2.257
local terms energy: -770.866590
where:
bonds (distance) C4'-P energy: -145.114
bonds (distance) P-C4' energy: -142.847
flat angles C4'-P-C4' energy: -153.937
flat angles P-C4'-P energy: -110.894
tors. eta vs tors. theta energy: -218.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2410.114137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.114137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.114137 (E_RNA)
where:
Base-Base interactions energy: -1661.279
where: short stacking energy: -704.572
Base-Backbone interact. energy: -1.647
local terms energy: -747.188682
where:
bonds (distance) C4'-P energy: -141.094
bonds (distance) P-C4' energy: -141.778
flat angles C4'-P-C4' energy: -157.328
flat angles P-C4'-P energy: -100.643
tors. eta vs tors. theta energy: -206.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2264.494802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.494802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.494802 (E_RNA)
where:
Base-Base interactions energy: -1569.323
where: short stacking energy: -647.169
Base-Backbone interact. energy: -2.381
local terms energy: -692.790269
where:
bonds (distance) C4'-P energy: -119.718
bonds (distance) P-C4' energy: -134.683
flat angles C4'-P-C4' energy: -161.511
flat angles P-C4'-P energy: -105.001
tors. eta vs tors. theta energy: -171.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2150.325220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.325220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.325220 (E_RNA)
where:
Base-Base interactions energy: -1501.931
where: short stacking energy: -659.181
Base-Backbone interact. energy: -2.787
local terms energy: -645.606924
where:
bonds (distance) C4'-P energy: -115.802
bonds (distance) P-C4' energy: -110.606
flat angles C4'-P-C4' energy: -140.485
flat angles P-C4'-P energy: -88.218
tors. eta vs tors. theta energy: -190.496
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: 264
Temperature: 1.150000
Total energy: -1885.837840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.837840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.837840 (E_RNA)
where:
Base-Base interactions energy: -1253.897
where: short stacking energy: -594.748
Base-Backbone interact. energy: -3.889
local terms energy: -628.052302
where:
bonds (distance) C4'-P energy: -127.210
bonds (distance) P-C4' energy: -112.944
flat angles C4'-P-C4' energy: -129.408
flat angles P-C4'-P energy: -96.569
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: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1733.630570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.630570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.630570 (E_RNA)
where:
Base-Base interactions energy: -1177.692
where: short stacking energy: -527.327
Base-Backbone interact. energy: -2.660
local terms energy: -553.278191
where:
bonds (distance) C4'-P energy: -92.321
bonds (distance) P-C4' energy: -127.351
flat angles C4'-P-C4' energy: -118.085
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -144.804
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: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1290.034128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.034128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.034128 (E_RNA)
where:
Base-Base interactions energy: -777.619
where: short stacking energy: -356.624
Base-Backbone interact. energy: 0.912
local terms energy: -513.326468
where:
bonds (distance) C4'-P energy: -102.751
bonds (distance) P-C4' energy: -120.421
flat angles C4'-P-C4' energy: -127.070
flat angles P-C4'-P energy: -79.196
tors. eta vs tors. theta energy: -83.889
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: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1162.913570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.913570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.913570 (E_RNA)
where:
Base-Base interactions energy: -700.594
where: short stacking energy: -310.795
Base-Backbone interact. energy: -1.568
local terms energy: -460.751743
where:
bonds (distance) C4'-P energy: -118.796
bonds (distance) P-C4' energy: -114.370
flat angles C4'-P-C4' energy: -102.013
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -46.864
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: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -724.336961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.336961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.336961 (E_RNA)
where:
Base-Base interactions energy: -346.594
where: short stacking energy: -199.810
Base-Backbone interact. energy: 3.874
local terms energy: -381.617340
where:
bonds (distance) C4'-P energy: -103.126
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -98.939
flat angles P-C4'-P energy: -59.446
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2563.865467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.865467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.865467 (E_RNA)
where:
Base-Base interactions energy: -1766.797
where: short stacking energy: -772.709
Base-Backbone interact. energy: -4.565
local terms energy: -792.503709
where:
bonds (distance) C4'-P energy: -130.871
bonds (distance) P-C4' energy: -155.407
flat angles C4'-P-C4' energy: -158.412
flat angles P-C4'-P energy: -111.741
tors. eta vs tors. theta energy: -236.073
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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2469.908342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.908342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.908342 (E_RNA)
where:
Base-Base interactions energy: -1730.613
where: short stacking energy: -727.457
Base-Backbone interact. energy: -4.308
local terms energy: -734.987190
where:
bonds (distance) C4'-P energy: -138.116
bonds (distance) P-C4' energy: -130.761
flat angles C4'-P-C4' energy: -158.585
flat angles P-C4'-P energy: -98.870
tors. eta vs tors. theta energy: -208.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2380.892616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.892616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.892616 (E_RNA)
where:
Base-Base interactions energy: -1630.970
where: short stacking energy: -687.582
Base-Backbone interact. energy: -0.798
local terms energy: -749.124250
where:
bonds (distance) C4'-P energy: -125.445
bonds (distance) P-C4' energy: -131.803
flat angles C4'-P-C4' energy: -165.196
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -221.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2222.761594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.761594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.761594 (E_RNA)
where:
Base-Base interactions energy: -1555.560
where: short stacking energy: -616.930
Base-Backbone interact. energy: -1.291
local terms energy: -665.910182
where:
bonds (distance) C4'-P energy: -130.732
bonds (distance) P-C4' energy: -133.001
flat angles C4'-P-C4' energy: -148.725
flat angles P-C4'-P energy: -82.456
tors. eta vs tors. theta energy: -170.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2151.884348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.884348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.884348 (E_RNA)
where:
Base-Base interactions energy: -1480.288
where: short stacking energy: -631.259
Base-Backbone interact. energy: 0.644
local terms energy: -672.240206
where:
bonds (distance) C4'-P energy: -132.605
bonds (distance) P-C4' energy: -128.028
flat angles C4'-P-C4' energy: -143.970
flat angles P-C4'-P energy: -88.495
tors. eta vs tors. theta energy: -179.142
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: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1853.167601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.167601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.167601 (E_RNA)
where:
Base-Base interactions energy: -1263.047
where: short stacking energy: -532.166
Base-Backbone interact. energy: -3.256
local terms energy: -586.864150
where:
bonds (distance) C4'-P energy: -125.980
bonds (distance) P-C4' energy: -120.847
flat angles C4'-P-C4' energy: -125.890
flat angles P-C4'-P energy: -74.574
tors. eta vs tors. theta energy: -139.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1675.757882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.757882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.757882 (E_RNA)
where:
Base-Base interactions energy: -1085.215
where: short stacking energy: -473.704
Base-Backbone interact. energy: -0.950
local terms energy: -589.592055
where:
bonds (distance) C4'-P energy: -111.508
bonds (distance) P-C4' energy: -133.846
flat angles C4'-P-C4' energy: -124.370
flat angles P-C4'-P energy: -98.406
tors. eta vs tors. theta energy: -121.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1317.790707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.790707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.790707 (E_RNA)
where:
Base-Base interactions energy: -802.285
where: short stacking energy: -385.498
Base-Backbone interact. energy: -0.831
local terms energy: -514.674904
where:
bonds (distance) C4'-P energy: -99.508
bonds (distance) P-C4' energy: -135.638
flat angles C4'-P-C4' energy: -141.366
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -65.931
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: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1160.866159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.866159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.866159 (E_RNA)
where:
Base-Base interactions energy: -671.287
where: short stacking energy: -331.803
Base-Backbone interact. energy: -1.221
local terms energy: -488.358850
where:
bonds (distance) C4'-P energy: -123.806
bonds (distance) P-C4' energy: -133.416
flat angles C4'-P-C4' energy: -104.508
flat angles P-C4'-P energy: -72.715
tors. eta vs tors. theta energy: -53.915
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: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -737.549876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.549876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.549876 (E_RNA)
where:
Base-Base interactions energy: -360.947
where: short stacking energy: -225.221
Base-Backbone interact. energy: -1.104
local terms energy: -375.499527
where:
bonds (distance) C4'-P energy: -117.812
bonds (distance) P-C4' energy: -117.123
flat angles C4'-P-C4' energy: -90.355
flat angles P-C4'-P energy: -58.436
tors. eta vs tors. theta energy: 8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2556.667513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.667513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.667513 (E_RNA)
where:
Base-Base interactions energy: -1739.796
where: short stacking energy: -767.577
Base-Backbone interact. energy: -4.386
local terms energy: -812.486005
where:
bonds (distance) C4'-P energy: -145.125
bonds (distance) P-C4' energy: -146.802
flat angles C4'-P-C4' energy: -167.660
flat angles P-C4'-P energy: -112.227
tors. eta vs tors. theta energy: -240.671
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: 266
Temperature: 0.950000
Total energy: -2441.974152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.974152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.974152 (E_RNA)
where:
Base-Base interactions energy: -1703.259
where: short stacking energy: -722.290
Base-Backbone interact. energy: -2.687
local terms energy: -736.028401
where:
bonds (distance) C4'-P energy: -126.178
bonds (distance) P-C4' energy: -136.752
flat angles C4'-P-C4' energy: -161.729
flat angles P-C4'-P energy: -104.960
tors. eta vs tors. theta energy: -206.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2362.338863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.338863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.338863 (E_RNA)
where:
Base-Base interactions energy: -1651.469
where: short stacking energy: -719.988
Base-Backbone interact. energy: 0.839
local terms energy: -711.709018
where:
bonds (distance) C4'-P energy: -111.622
bonds (distance) P-C4' energy: -132.777
flat angles C4'-P-C4' energy: -155.224
flat angles P-C4'-P energy: -94.616
tors. eta vs tors. theta energy: -217.470
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: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2229.013814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.013814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.013814 (E_RNA)
where:
Base-Base interactions energy: -1582.466
where: short stacking energy: -662.105
Base-Backbone interact. energy: -1.225
local terms energy: -645.322573
where:
bonds (distance) C4'-P energy: -124.177
bonds (distance) P-C4' energy: -126.578
flat angles C4'-P-C4' energy: -139.884
flat angles P-C4'-P energy: -82.083
tors. eta vs tors. theta energy: -172.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2158.618170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.618170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.618170 (E_RNA)
where:
Base-Base interactions energy: -1479.812
where: short stacking energy: -630.023
Base-Backbone interact. energy: -4.694
local terms energy: -674.112430
where:
bonds (distance) C4'-P energy: -125.377
bonds (distance) P-C4' energy: -125.558
flat angles C4'-P-C4' energy: -159.776
flat angles P-C4'-P energy: -84.638
tors. eta vs tors. theta energy: -178.763
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: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1855.952546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.952546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.952546 (E_RNA)
where:
Base-Base interactions energy: -1230.686
where: short stacking energy: -525.846
Base-Backbone interact. energy: 0.139
local terms energy: -625.405235
where:
bonds (distance) C4'-P energy: -139.316
bonds (distance) P-C4' energy: -131.908
flat angles C4'-P-C4' energy: -136.918
flat angles P-C4'-P energy: -74.784
tors. eta vs tors. theta energy: -142.479
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: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1635.680368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.680368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.680368 (E_RNA)
where:
Base-Base interactions energy: -1061.256
where: short stacking energy: -469.940
Base-Backbone interact. energy: -0.905
local terms energy: -573.519161
where:
bonds (distance) C4'-P energy: -124.503
bonds (distance) P-C4' energy: -124.864
flat angles C4'-P-C4' energy: -146.739
flat angles P-C4'-P energy: -70.913
tors. eta vs tors. theta energy: -106.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1270.188385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.188385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.188385 (E_RNA)
where:
Base-Base interactions energy: -790.714
where: short stacking energy: -371.383
Base-Backbone interact. energy: -1.738
local terms energy: -477.736064
where:
bonds (distance) C4'-P energy: -114.573
bonds (distance) P-C4' energy: -127.259
flat angles C4'-P-C4' energy: -108.475
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: -62.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1162.201378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.201378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.201378 (E_RNA)
where:
Base-Base interactions energy: -738.004
where: short stacking energy: -363.088
Base-Backbone interact. energy: 6.252
local terms energy: -430.449825
where:
bonds (distance) C4'-P energy: -105.403
bonds (distance) P-C4' energy: -108.816
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -58.630
tors. eta vs tors. theta energy: -61.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -747.556663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.556663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.556663 (E_RNA)
where:
Base-Base interactions energy: -313.784
where: short stacking energy: -190.728
Base-Backbone interact. energy: 3.534
local terms energy: -437.306313
where:
bonds (distance) C4'-P energy: -122.061
bonds (distance) P-C4' energy: -136.055
flat angles C4'-P-C4' energy: -111.749
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: 4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2566.863544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.863544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.863544 (E_RNA)
where:
Base-Base interactions energy: -1767.189
where: short stacking energy: -757.061
Base-Backbone interact. energy: -3.664
local terms energy: -796.010249
where:
bonds (distance) C4'-P energy: -143.360
bonds (distance) P-C4' energy: -151.117
flat angles C4'-P-C4' energy: -159.403
flat angles P-C4'-P energy: -106.086
tors. eta vs tors. theta energy: -236.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2437.871190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.871190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.871190 (E_RNA)
where:
Base-Base interactions energy: -1661.410
where: short stacking energy: -719.399
Base-Backbone interact. energy: -3.579
local terms energy: -772.882069
where:
bonds (distance) C4'-P energy: -137.470
bonds (distance) P-C4' energy: -134.300
flat angles C4'-P-C4' energy: -155.498
flat angles P-C4'-P energy: -119.960
tors. eta vs tors. theta energy: -225.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2354.769916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.769916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.769916 (E_RNA)
where:
Base-Base interactions energy: -1619.062
where: short stacking energy: -710.038
Base-Backbone interact. energy: -0.710
local terms energy: -734.998723
where:
bonds (distance) C4'-P energy: -128.391
bonds (distance) P-C4' energy: -141.509
flat angles C4'-P-C4' energy: -156.943
flat angles P-C4'-P energy: -96.987
tors. eta vs tors. theta energy: -211.169
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: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2251.702034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.702034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.702034 (E_RNA)
where:
Base-Base interactions energy: -1595.438
where: short stacking energy: -652.722
Base-Backbone interact. energy: 1.583
local terms energy: -657.847134
where:
bonds (distance) C4'-P energy: -124.466
bonds (distance) P-C4' energy: -137.072
flat angles C4'-P-C4' energy: -134.710
flat angles P-C4'-P energy: -80.319
tors. eta vs tors. theta energy: -181.281
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: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2117.783214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.783214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.783214 (E_RNA)
where:
Base-Base interactions energy: -1459.948
where: short stacking energy: -644.785
Base-Backbone interact. energy: -0.412
local terms energy: -657.422324
where:
bonds (distance) C4'-P energy: -117.116
bonds (distance) P-C4' energy: -127.447
flat angles C4'-P-C4' energy: -142.364
flat angles P-C4'-P energy: -90.359
tors. eta vs tors. theta energy: -180.136
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: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1928.559502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.559502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.559502 (E_RNA)
where:
Base-Base interactions energy: -1281.654
where: short stacking energy: -569.419
Base-Backbone interact. energy: -3.208
local terms energy: -643.696841
where:
bonds (distance) C4'-P energy: -122.302
bonds (distance) P-C4' energy: -131.494
flat angles C4'-P-C4' energy: -146.374
flat angles P-C4'-P energy: -87.924
tors. eta vs tors. theta energy: -155.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1657.059567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.059567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.059567 (E_RNA)
where:
Base-Base interactions energy: -1118.319
where: short stacking energy: -506.892
Base-Backbone interact. energy: 7.180
local terms energy: -545.920487
where:
bonds (distance) C4'-P energy: -118.022
bonds (distance) P-C4' energy: -130.348
flat angles C4'-P-C4' energy: -101.281
flat angles P-C4'-P energy: -71.918
tors. eta vs tors. theta energy: -124.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1356.357101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.357101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.357101 (E_RNA)
where:
Base-Base interactions energy: -889.823
where: short stacking energy: -412.656
Base-Backbone interact. energy: -2.322
local terms energy: -464.212395
where:
bonds (distance) C4'-P energy: -121.509
bonds (distance) P-C4' energy: -105.067
flat angles C4'-P-C4' energy: -110.232
flat angles P-C4'-P energy: -50.882
tors. eta vs tors. theta energy: -76.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1162.847593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.847593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.847593 (E_RNA)
where:
Base-Base interactions energy: -689.217
where: short stacking energy: -322.771
Base-Backbone interact. energy: 2.491
local terms energy: -476.121667
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -119.123
flat angles C4'-P-C4' energy: -131.881
flat angles P-C4'-P energy: -64.311
tors. eta vs tors. theta energy: -53.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -737.353243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.353243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.353243 (E_RNA)
where:
Base-Base interactions energy: -315.661
where: short stacking energy: -192.655
Base-Backbone interact. energy: 3.230
local terms energy: -424.923149
where:
bonds (distance) C4'-P energy: -112.028
bonds (distance) P-C4' energy: -120.926
flat angles C4'-P-C4' energy: -100.146
flat angles P-C4'-P energy: -83.942
tors. eta vs tors. theta energy: -7.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2556.630062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.630062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.630062 (E_RNA)
where:
Base-Base interactions energy: -1772.894
where: short stacking energy: -788.966
Base-Backbone interact. energy: -6.133
local terms energy: -777.602728
where:
bonds (distance) C4'-P energy: -133.518
bonds (distance) P-C4' energy: -137.600
flat angles C4'-P-C4' energy: -164.231
flat angles P-C4'-P energy: -101.543
tors. eta vs tors. theta energy: -240.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2445.917933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.917933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.917933 (E_RNA)
where:
Base-Base interactions energy: -1686.935
where: short stacking energy: -724.328
Base-Backbone interact. energy: -0.752
local terms energy: -758.231580
where:
bonds (distance) C4'-P energy: -140.880
bonds (distance) P-C4' energy: -131.058
flat angles C4'-P-C4' energy: -162.398
flat angles P-C4'-P energy: -118.559
tors. eta vs tors. theta energy: -205.336
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: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2361.920097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.920097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.920097 (E_RNA)
where:
Base-Base interactions energy: -1626.558
where: short stacking energy: -712.088
Base-Backbone interact. energy: -1.421
local terms energy: -733.941549
where:
bonds (distance) C4'-P energy: -124.460
bonds (distance) P-C4' energy: -133.196
flat angles C4'-P-C4' energy: -152.056
flat angles P-C4'-P energy: -101.284
tors. eta vs tors. theta energy: -222.945
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2245.987050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.987050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.987050 (E_RNA)
where:
Base-Base interactions energy: -1569.970
where: short stacking energy: -640.689
Base-Backbone interact. energy: -5.053
local terms energy: -670.964473
where:
bonds (distance) C4'-P energy: -138.749
bonds (distance) P-C4' energy: -119.376
flat angles C4'-P-C4' energy: -135.068
flat angles P-C4'-P energy: -93.694
tors. eta vs tors. theta energy: -184.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2132.262329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.262329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.262329 (E_RNA)
where:
Base-Base interactions energy: -1452.184
where: short stacking energy: -638.442
Base-Backbone interact. energy: -2.703
local terms energy: -677.375500
where:
bonds (distance) C4'-P energy: -124.334
bonds (distance) P-C4' energy: -132.503
flat angles C4'-P-C4' energy: -148.483
flat angles P-C4'-P energy: -93.707
tors. eta vs tors. theta energy: -178.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1929.987245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.987245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.987245 (E_RNA)
where:
Base-Base interactions energy: -1293.329
where: short stacking energy: -603.631
Base-Backbone interact. energy: -4.523
local terms energy: -632.135479
where:
bonds (distance) C4'-P energy: -120.173
bonds (distance) P-C4' energy: -128.049
flat angles C4'-P-C4' energy: -129.876
flat angles P-C4'-P energy: -83.290
tors. eta vs tors. theta energy: -170.748
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: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1650.970860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.970860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.970860 (E_RNA)
where:
Base-Base interactions energy: -1107.400
where: short stacking energy: -485.661
Base-Backbone interact. energy: -2.856
local terms energy: -540.714058
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -103.732
flat angles C4'-P-C4' energy: -122.763
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -112.964
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: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1365.136565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.136565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.136565 (E_RNA)
where:
Base-Base interactions energy: -848.515
where: short stacking energy: -415.165
Base-Backbone interact. energy: -0.565
local terms energy: -516.056617
where:
bonds (distance) C4'-P energy: -131.571
bonds (distance) P-C4' energy: -123.020
flat angles C4'-P-C4' energy: -121.815
flat angles P-C4'-P energy: -54.608
tors. eta vs tors. theta energy: -85.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1173.611407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.611407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.611407 (E_RNA)
where:
Base-Base interactions energy: -707.170
where: short stacking energy: -361.365
Base-Backbone interact. energy: 0.884
local terms energy: -467.325130
where:
bonds (distance) C4'-P energy: -103.440
bonds (distance) P-C4' energy: -113.979
flat angles C4'-P-C4' energy: -129.718
flat angles P-C4'-P energy: -56.920
tors. eta vs tors. theta energy: -63.268
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -754.635505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.635505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.635505 (E_RNA)
where:
Base-Base interactions energy: -357.974
where: short stacking energy: -198.194
Base-Backbone interact. energy: 3.769
local terms energy: -400.430237
where:
bonds (distance) C4'-P energy: -109.888
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -93.466
flat angles P-C4'-P energy: -74.242
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2574.270108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.270108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.270108 (E_RNA)
where:
Base-Base interactions energy: -1752.491
where: short stacking energy: -761.540
Base-Backbone interact. energy: -2.374
local terms energy: -819.405277
where:
bonds (distance) C4'-P energy: -149.263
bonds (distance) P-C4' energy: -156.076
flat angles C4'-P-C4' energy: -174.251
flat angles P-C4'-P energy: -103.421
tors. eta vs tors. theta energy: -236.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2425.232342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.232342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.232342 (E_RNA)
where:
Base-Base interactions energy: -1659.676
where: short stacking energy: -719.631
Base-Backbone interact. energy: -1.334
local terms energy: -764.222608
where:
bonds (distance) C4'-P energy: -136.586
bonds (distance) P-C4' energy: -144.060
flat angles C4'-P-C4' energy: -160.226
flat angles P-C4'-P energy: -114.581
tors. eta vs tors. theta energy: -208.770
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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2362.252366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.252366 (E_RNA)
where:
Base-Base interactions energy: -1624.964
where: short stacking energy: -702.196
Base-Backbone interact. energy: -0.288
local terms energy: -737.000495
where:
bonds (distance) C4'-P energy: -124.588
bonds (distance) P-C4' energy: -127.555
flat angles C4'-P-C4' energy: -159.736
flat angles P-C4'-P energy: -101.518
tors. eta vs tors. theta energy: -223.604
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: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2234.102014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.102014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.102014 (E_RNA)
where:
Base-Base interactions energy: -1567.051
where: short stacking energy: -627.486
Base-Backbone interact. energy: 2.217
local terms energy: -669.268274
where:
bonds (distance) C4'-P energy: -133.899
bonds (distance) P-C4' energy: -135.377
flat angles C4'-P-C4' energy: -146.295
flat angles P-C4'-P energy: -75.612
tors. eta vs tors. theta energy: -178.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2160.570594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.570594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.570594 (E_RNA)
where:
Base-Base interactions energy: -1483.293
where: short stacking energy: -627.671
Base-Backbone interact. energy: -3.666
local terms energy: -673.612278
where:
bonds (distance) C4'-P energy: -128.019
bonds (distance) P-C4' energy: -138.373
flat angles C4'-P-C4' energy: -122.718
flat angles P-C4'-P energy: -103.533
tors. eta vs tors. theta energy: -180.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1909.915013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.915013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.915013 (E_RNA)
where:
Base-Base interactions energy: -1311.199
where: short stacking energy: -580.975
Base-Backbone interact. energy: -2.505
local terms energy: -596.211377
where:
bonds (distance) C4'-P energy: -119.028
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -120.096
flat angles P-C4'-P energy: -88.110
tors. eta vs tors. theta energy: -168.568
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: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1724.868012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.868012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.868012 (E_RNA)
where:
Base-Base interactions energy: -1177.388
where: short stacking energy: -502.425
Base-Backbone interact. energy: 1.025
local terms energy: -548.504607
where:
bonds (distance) C4'-P energy: -104.123
bonds (distance) P-C4' energy: -128.311
flat angles C4'-P-C4' energy: -111.717
flat angles P-C4'-P energy: -76.349
tors. eta vs tors. theta energy: -128.004
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: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1376.288254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.288254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.288254 (E_RNA)
where:
Base-Base interactions energy: -885.229
where: short stacking energy: -420.654
Base-Backbone interact. energy: 0.517
local terms energy: -491.575881
where:
bonds (distance) C4'-P energy: -111.288
bonds (distance) P-C4' energy: -116.495
flat angles C4'-P-C4' energy: -117.916
flat angles P-C4'-P energy: -56.725
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: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1126.272908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.272908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.272908 (E_RNA)
where:
Base-Base interactions energy: -700.310
where: short stacking energy: -328.723
Base-Backbone interact. energy: -0.087
local terms energy: -425.876095
where:
bonds (distance) C4'-P energy: -97.061
bonds (distance) P-C4' energy: -101.212
flat angles C4'-P-C4' energy: -100.734
flat angles P-C4'-P energy: -69.013
tors. eta vs tors. theta energy: -57.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -742.504686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.504686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.504686 (E_RNA)
where:
Base-Base interactions energy: -350.663
where: short stacking energy: -210.901
Base-Backbone interact. energy: -3.318
local terms energy: -388.524574
where:
bonds (distance) C4'-P energy: -123.528
bonds (distance) P-C4' energy: -122.194
flat angles C4'-P-C4' energy: -98.810
flat angles P-C4'-P energy: -48.031
tors. eta vs tors. theta energy: 4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2561.336014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.336014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.336014 (E_RNA)
where:
Base-Base interactions energy: -1789.869
where: short stacking energy: -796.211
Base-Backbone interact. energy: -1.832
local terms energy: -769.635192
where:
bonds (distance) C4'-P energy: -145.884
bonds (distance) P-C4' energy: -121.388
flat angles C4'-P-C4' energy: -166.401
flat angles P-C4'-P energy: -98.085
tors. eta vs tors. theta energy: -237.877
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: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2450.179356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.179356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.179356 (E_RNA)
where:
Base-Base interactions energy: -1687.565
where: short stacking energy: -733.469
Base-Backbone interact. energy: -5.357
local terms energy: -757.257107
where:
bonds (distance) C4'-P energy: -145.696
bonds (distance) P-C4' energy: -154.400
flat angles C4'-P-C4' energy: -155.503
flat angles P-C4'-P energy: -101.675
tors. eta vs tors. theta energy: -199.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2353.085503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.085503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.085503 (E_RNA)
where:
Base-Base interactions energy: -1624.777
where: short stacking energy: -724.504
Base-Backbone interact. energy: -1.838
local terms energy: -726.469554
where:
bonds (distance) C4'-P energy: -118.541
bonds (distance) P-C4' energy: -132.502
flat angles C4'-P-C4' energy: -155.447
flat angles P-C4'-P energy: -103.636
tors. eta vs tors. theta energy: -216.343
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: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2268.224387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.224387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.224387 (E_RNA)
where:
Base-Base interactions energy: -1602.570
where: short stacking energy: -665.282
Base-Backbone interact. energy: 2.061
local terms energy: -667.715373
where:
bonds (distance) C4'-P energy: -134.410
bonds (distance) P-C4' energy: -119.046
flat angles C4'-P-C4' energy: -144.493
flat angles P-C4'-P energy: -96.099
tors. eta vs tors. theta energy: -173.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2095.400792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.400792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.400792 (E_RNA)
where:
Base-Base interactions energy: -1461.773
where: short stacking energy: -648.470
Base-Backbone interact. energy: -1.424
local terms energy: -632.203461
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -132.227
flat angles C4'-P-C4' energy: -141.572
flat angles P-C4'-P energy: -75.299
tors. eta vs tors. theta energy: -180.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1902.823250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.823250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.823250 (E_RNA)
where:
Base-Base interactions energy: -1263.430
where: short stacking energy: -532.092
Base-Backbone interact. energy: 0.499
local terms energy: -639.892141
where:
bonds (distance) C4'-P energy: -123.010
bonds (distance) P-C4' energy: -133.074
flat angles C4'-P-C4' energy: -145.764
flat angles P-C4'-P energy: -86.585
tors. eta vs tors. theta energy: -151.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1744.983291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.983291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.983291 (E_RNA)
where:
Base-Base interactions energy: -1146.674
where: short stacking energy: -525.935
Base-Backbone interact. energy: 5.014
local terms energy: -603.323682
where:
bonds (distance) C4'-P energy: -131.842
bonds (distance) P-C4' energy: -118.783
flat angles C4'-P-C4' energy: -145.799
flat angles P-C4'-P energy: -86.098
tors. eta vs tors. theta energy: -120.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1372.374273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.374273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.374273 (E_RNA)
where:
Base-Base interactions energy: -842.903
where: short stacking energy: -408.880
Base-Backbone interact. energy: 2.091
local terms energy: -531.562153
where:
bonds (distance) C4'-P energy: -122.935
bonds (distance) P-C4' energy: -135.320
flat angles C4'-P-C4' energy: -136.776
flat angles P-C4'-P energy: -75.144
tors. eta vs tors. theta energy: -61.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1144.632920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.632920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.632920 (E_RNA)
where:
Base-Base interactions energy: -691.122
where: short stacking energy: -344.626
Base-Backbone interact. energy: 0.208
local terms energy: -453.719779
where:
bonds (distance) C4'-P energy: -112.160
bonds (distance) P-C4' energy: -108.128
flat angles C4'-P-C4' energy: -125.898
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -770.446022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.446022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.446022 (E_RNA)
where:
Base-Base interactions energy: -403.722
where: short stacking energy: -210.472
Base-Backbone interact. energy: 1.712
local terms energy: -368.435714
where:
bonds (distance) C4'-P energy: -126.118
bonds (distance) P-C4' energy: -122.214
flat angles C4'-P-C4' energy: -92.293
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: 22.171
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: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2558.099635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.099635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.099635 (E_RNA)
where:
Base-Base interactions energy: -1780.177
where: short stacking energy: -784.325
Base-Backbone interact. energy: 2.894
local terms energy: -780.816063
where:
bonds (distance) C4'-P energy: -134.039
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -165.318
flat angles P-C4'-P energy: -103.968
tors. eta vs tors. theta energy: -241.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2428.978742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.978742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.978742 (E_RNA)
where:
Base-Base interactions energy: -1687.701
where: short stacking energy: -708.663
Base-Backbone interact. energy: -4.504
local terms energy: -736.774047
where:
bonds (distance) C4'-P energy: -125.497
bonds (distance) P-C4' energy: -139.799
flat angles C4'-P-C4' energy: -161.699
flat angles P-C4'-P energy: -101.953
tors. eta vs tors. theta energy: -207.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2388.884708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.884708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.884708 (E_RNA)
where:
Base-Base interactions energy: -1658.794
where: short stacking energy: -729.741
Base-Backbone interact. energy: -2.115
local terms energy: -727.975182
where:
bonds (distance) C4'-P energy: -124.959
bonds (distance) P-C4' energy: -133.614
flat angles C4'-P-C4' energy: -150.215
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -221.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2279.559039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.559039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.559039 (E_RNA)
where:
Base-Base interactions energy: -1594.037
where: short stacking energy: -647.374
Base-Backbone interact. energy: -0.534
local terms energy: -684.987966
where:
bonds (distance) C4'-P energy: -122.927
bonds (distance) P-C4' energy: -137.598
flat angles C4'-P-C4' energy: -151.836
flat angles P-C4'-P energy: -89.211
tors. eta vs tors. theta energy: -183.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2123.415216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.415216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.415216 (E_RNA)
where:
Base-Base interactions energy: -1441.507
where: short stacking energy: -627.828
Base-Backbone interact. energy: -1.684
local terms energy: -680.224817
where:
bonds (distance) C4'-P energy: -131.198
bonds (distance) P-C4' energy: -121.104
flat angles C4'-P-C4' energy: -151.238
flat angles P-C4'-P energy: -110.706
tors. eta vs tors. theta energy: -165.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1857.500255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.500255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.500255 (E_RNA)
where:
Base-Base interactions energy: -1251.534
where: short stacking energy: -551.167
Base-Backbone interact. energy: -1.990
local terms energy: -603.976331
where:
bonds (distance) C4'-P energy: -112.809
bonds (distance) P-C4' energy: -121.895
flat angles C4'-P-C4' energy: -127.400
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -153.786
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: 271
Temperature: 1.200000
Total energy: -1715.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.834194 (E_RNA)
where:
Base-Base interactions energy: -1144.734
where: short stacking energy: -492.752
Base-Backbone interact. energy: -3.903
local terms energy: -567.196458
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -123.244
flat angles C4'-P-C4' energy: -137.092
flat angles P-C4'-P energy: -88.300
tors. eta vs tors. theta energy: -108.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1240.565084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.565084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.565084 (E_RNA)
where:
Base-Base interactions energy: -740.447
where: short stacking energy: -351.623
Base-Backbone interact. energy: -2.216
local terms energy: -497.902064
where:
bonds (distance) C4'-P energy: -118.300
bonds (distance) P-C4' energy: -120.398
flat angles C4'-P-C4' energy: -127.537
flat angles P-C4'-P energy: -67.522
tors. eta vs tors. theta energy: -64.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1154.636387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.636387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.636387 (E_RNA)
where:
Base-Base interactions energy: -694.121
where: short stacking energy: -333.866
Base-Backbone interact. energy: -1.817
local terms energy: -458.697696
where:
bonds (distance) C4'-P energy: -112.323
bonds (distance) P-C4' energy: -104.746
flat angles C4'-P-C4' energy: -107.676
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -55.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -770.664235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.664235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.664235 (E_RNA)
where:
Base-Base interactions energy: -401.875
where: short stacking energy: -236.148
Base-Backbone interact. energy: -2.762
local terms energy: -366.027478
where:
bonds (distance) C4'-P energy: -93.372
bonds (distance) P-C4' energy: -101.548
flat angles C4'-P-C4' energy: -101.590
flat angles P-C4'-P energy: -56.671
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2539.051102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.051102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.051102 (E_RNA)
where:
Base-Base interactions energy: -1754.368
where: short stacking energy: -758.156
Base-Backbone interact. energy: -2.436
local terms energy: -782.247513
where:
bonds (distance) C4'-P energy: -136.707
bonds (distance) P-C4' energy: -141.630
flat angles C4'-P-C4' energy: -158.914
flat angles P-C4'-P energy: -112.013
tors. eta vs tors. theta energy: -232.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2439.821528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.821528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.821528 (E_RNA)
where:
Base-Base interactions energy: -1700.976
where: short stacking energy: -731.342
Base-Backbone interact. energy: -3.292
local terms energy: -735.552859
where:
bonds (distance) C4'-P energy: -129.882
bonds (distance) P-C4' energy: -132.954
flat angles C4'-P-C4' energy: -168.923
flat angles P-C4'-P energy: -94.135
tors. eta vs tors. theta energy: -209.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2394.054192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.054192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.054192 (E_RNA)
where:
Base-Base interactions energy: -1659.410
where: short stacking energy: -739.674
Base-Backbone interact. energy: 1.659
local terms energy: -736.303343
where:
bonds (distance) C4'-P energy: -140.662
bonds (distance) P-C4' energy: -131.478
flat angles C4'-P-C4' energy: -144.762
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -225.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2279.243256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.243256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.243256 (E_RNA)
where:
Base-Base interactions energy: -1610.322
where: short stacking energy: -647.075
Base-Backbone interact. energy: -3.624
local terms energy: -665.297328
where:
bonds (distance) C4'-P energy: -134.807
bonds (distance) P-C4' energy: -128.495
flat angles C4'-P-C4' energy: -130.463
flat angles P-C4'-P energy: -84.369
tors. eta vs tors. theta energy: -187.164
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: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2170.411067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.411067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.411067 (E_RNA)
where:
Base-Base interactions energy: -1478.962
where: short stacking energy: -666.136
Base-Backbone interact. energy: -3.169
local terms energy: -688.280038
where:
bonds (distance) C4'-P energy: -116.975
bonds (distance) P-C4' energy: -138.038
flat angles C4'-P-C4' energy: -152.215
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -187.961
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: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1868.078712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.078712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.078712 (E_RNA)
where:
Base-Base interactions energy: -1235.357
where: short stacking energy: -523.972
Base-Backbone interact. energy: 0.333
local terms energy: -633.054935
where:
bonds (distance) C4'-P energy: -132.295
bonds (distance) P-C4' energy: -137.263
flat angles C4'-P-C4' energy: -140.691
flat angles P-C4'-P energy: -88.533
tors. eta vs tors. theta energy: -134.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1730.591654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.591654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.591654 (E_RNA)
where:
Base-Base interactions energy: -1153.215
where: short stacking energy: -489.765
Base-Backbone interact. energy: -0.664
local terms energy: -576.712481
where:
bonds (distance) C4'-P energy: -115.364
bonds (distance) P-C4' energy: -117.254
flat angles C4'-P-C4' energy: -143.221
flat angles P-C4'-P energy: -78.015
tors. eta vs tors. theta energy: -122.858
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: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1223.118487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.118487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.118487 (E_RNA)
where:
Base-Base interactions energy: -746.650
where: short stacking energy: -376.095
Base-Backbone interact. energy: 4.376
local terms energy: -480.843712
where:
bonds (distance) C4'-P energy: -112.791
bonds (distance) P-C4' energy: -116.574
flat angles C4'-P-C4' energy: -123.068
flat angles P-C4'-P energy: -63.475
tors. eta vs tors. theta energy: -64.935
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: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1172.081734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.081734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.081734 (E_RNA)
where:
Base-Base interactions energy: -708.648
where: short stacking energy: -354.676
Base-Backbone interact. energy: 0.749
local terms energy: -464.183295
where:
bonds (distance) C4'-P energy: -125.998
bonds (distance) P-C4' energy: -117.801
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -59.066
tors. eta vs tors. theta energy: -51.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -747.332058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.332058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.332058 (E_RNA)
where:
Base-Base interactions energy: -392.394
where: short stacking energy: -212.739
Base-Backbone interact. energy: 1.958
local terms energy: -356.896598
where:
bonds (distance) C4'-P energy: -95.870
bonds (distance) P-C4' energy: -125.556
flat angles C4'-P-C4' energy: -88.684
flat angles P-C4'-P energy: -52.446
tors. eta vs tors. theta energy: 5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2565.907982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.907982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.907982 (E_RNA)
where:
Base-Base interactions energy: -1768.201
where: short stacking energy: -801.556
Base-Backbone interact. energy: -3.005
local terms energy: -794.702197
where:
bonds (distance) C4'-P energy: -140.840
bonds (distance) P-C4' energy: -133.208
flat angles C4'-P-C4' energy: -171.745
flat angles P-C4'-P energy: -108.694
tors. eta vs tors. theta energy: -240.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2431.749428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.749428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.749428 (E_RNA)
where:
Base-Base interactions energy: -1713.859
where: short stacking energy: -729.897
Base-Backbone interact. energy: -2.398
local terms energy: -715.492049
where:
bonds (distance) C4'-P energy: -139.936
bonds (distance) P-C4' energy: -122.427
flat angles C4'-P-C4' energy: -152.146
flat angles P-C4'-P energy: -87.052
tors. eta vs tors. theta energy: -213.931
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: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2389.539083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.539083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.539083 (E_RNA)
where:
Base-Base interactions energy: -1643.324
where: short stacking energy: -749.666
Base-Backbone interact. energy: -4.065
local terms energy: -742.150289
where:
bonds (distance) C4'-P energy: -131.796
bonds (distance) P-C4' energy: -129.972
flat angles C4'-P-C4' energy: -156.899
flat angles P-C4'-P energy: -107.705
tors. eta vs tors. theta energy: -215.780
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: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2290.476467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.476467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.476467 (E_RNA)
where:
Base-Base interactions energy: -1600.696
where: short stacking energy: -650.735
Base-Backbone interact. energy: -1.697
local terms energy: -688.082951
where:
bonds (distance) C4'-P energy: -119.001
bonds (distance) P-C4' energy: -141.425
flat angles C4'-P-C4' energy: -153.830
flat angles P-C4'-P energy: -100.194
tors. eta vs tors. theta energy: -173.632
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2143.343472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.343472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.343472 (E_RNA)
where:
Base-Base interactions energy: -1453.598
where: short stacking energy: -606.120
Base-Backbone interact. energy: -1.160
local terms energy: -688.585452
where:
bonds (distance) C4'-P energy: -126.186
bonds (distance) P-C4' energy: -125.295
flat angles C4'-P-C4' energy: -154.917
flat angles P-C4'-P energy: -96.289
tors. eta vs tors. theta energy: -185.899
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1853.379519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.379519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.379519 (E_RNA)
where:
Base-Base interactions energy: -1254.020
where: short stacking energy: -543.660
Base-Backbone interact. energy: 0.372
local terms energy: -599.731576
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -126.905
flat angles C4'-P-C4' energy: -130.807
flat angles P-C4'-P energy: -85.845
tors. eta vs tors. theta energy: -141.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1774.126490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.126490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.126490 (E_RNA)
where:
Base-Base interactions energy: -1211.777
where: short stacking energy: -512.453
Base-Backbone interact. energy: -3.491
local terms energy: -558.858879
where:
bonds (distance) C4'-P energy: -100.700
bonds (distance) P-C4' energy: -110.212
flat angles C4'-P-C4' energy: -137.149
flat angles P-C4'-P energy: -85.104
tors. eta vs tors. theta energy: -125.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1273.143154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.143154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.143154 (E_RNA)
where:
Base-Base interactions energy: -793.520
where: short stacking energy: -392.437
Base-Backbone interact. energy: 1.348
local terms energy: -480.971294
where:
bonds (distance) C4'-P energy: -113.380
bonds (distance) P-C4' energy: -132.541
flat angles C4'-P-C4' energy: -127.081
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -62.039
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1214.403654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.403654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.403654 (E_RNA)
where:
Base-Base interactions energy: -752.533
where: short stacking energy: -376.127
Base-Backbone interact. energy: -1.838
local terms energy: -460.032732
where:
bonds (distance) C4'-P energy: -106.390
bonds (distance) P-C4' energy: -112.293
flat angles C4'-P-C4' energy: -122.111
flat angles P-C4'-P energy: -72.862
tors. eta vs tors. theta energy: -46.376
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: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -802.131287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.131287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.131287 (E_RNA)
where:
Base-Base interactions energy: -418.449
where: short stacking energy: -219.100
Base-Backbone interact. energy: -0.759
local terms energy: -382.923873
where:
bonds (distance) C4'-P energy: -97.619
bonds (distance) P-C4' energy: -113.741
flat angles C4'-P-C4' energy: -109.216
flat angles P-C4'-P energy: -55.683
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2581.208544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.208544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.208544 (E_RNA)
where:
Base-Base interactions energy: -1755.888
where: short stacking energy: -777.677
Base-Backbone interact. energy: -3.452
local terms energy: -821.868979
where:
bonds (distance) C4'-P energy: -152.181
bonds (distance) P-C4' energy: -143.865
flat angles C4'-P-C4' energy: -173.540
flat angles P-C4'-P energy: -114.732
tors. eta vs tors. theta energy: -237.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2427.936762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.936762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.936762 (E_RNA)
where:
Base-Base interactions energy: -1689.380
where: short stacking energy: -730.259
Base-Backbone interact. energy: -2.998
local terms energy: -735.558366
where:
bonds (distance) C4'-P energy: -141.333
bonds (distance) P-C4' energy: -133.586
flat angles C4'-P-C4' energy: -154.918
flat angles P-C4'-P energy: -107.203
tors. eta vs tors. theta energy: -198.517
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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2381.383888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.383888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.383888 (E_RNA)
where:
Base-Base interactions energy: -1682.650
where: short stacking energy: -718.856
Base-Backbone interact. energy: -0.309
local terms energy: -698.425221
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -141.819
flat angles C4'-P-C4' energy: -148.329
flat angles P-C4'-P energy: -92.652
tors. eta vs tors. theta energy: -214.272
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: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2245.546163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.546163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.546163 (E_RNA)
where:
Base-Base interactions energy: -1563.241
where: short stacking energy: -607.298
Base-Backbone interact. energy: -1.109
local terms energy: -681.196193
where:
bonds (distance) C4'-P energy: -135.303
bonds (distance) P-C4' energy: -131.412
flat angles C4'-P-C4' energy: -140.521
flat angles P-C4'-P energy: -101.145
tors. eta vs tors. theta energy: -172.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2184.973126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.973126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.973126 (E_RNA)
where:
Base-Base interactions energy: -1487.285
where: short stacking energy: -661.089
Base-Backbone interact. energy: -2.965
local terms energy: -694.722750
where:
bonds (distance) C4'-P energy: -124.049
bonds (distance) P-C4' energy: -132.404
flat angles C4'-P-C4' energy: -150.572
flat angles P-C4'-P energy: -95.002
tors. eta vs tors. theta energy: -192.696
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: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1809.572117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.572117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.572117 (E_RNA)
where:
Base-Base interactions energy: -1219.440
where: short stacking energy: -544.910
Base-Backbone interact. energy: -2.773
local terms energy: -587.359275
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -122.243
flat angles C4'-P-C4' energy: -130.511
flat angles P-C4'-P energy: -85.572
tors. eta vs tors. theta energy: -137.335
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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1778.911075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.911075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.911075 (E_RNA)
where:
Base-Base interactions energy: -1210.475
where: short stacking energy: -529.257
Base-Backbone interact. energy: 0.062
local terms energy: -568.498443
where:
bonds (distance) C4'-P energy: -114.566
bonds (distance) P-C4' energy: -120.227
flat angles C4'-P-C4' energy: -134.345
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -119.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1247.903857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.903857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.903857 (E_RNA)
where:
Base-Base interactions energy: -767.836
where: short stacking energy: -387.896
Base-Backbone interact. energy: -2.743
local terms energy: -477.324840
where:
bonds (distance) C4'-P energy: -97.130
bonds (distance) P-C4' energy: -115.891
flat angles C4'-P-C4' energy: -121.937
flat angles P-C4'-P energy: -58.578
tors. eta vs tors. theta energy: -83.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1266.632978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.632978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.632978 (E_RNA)
where:
Base-Base interactions energy: -801.348
where: short stacking energy: -401.363
Base-Backbone interact. energy: 1.516
local terms energy: -466.800887
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -110.949
flat angles C4'-P-C4' energy: -112.633
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: -70.324
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: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -746.882243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.882243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.882243 (E_RNA)
where:
Base-Base interactions energy: -395.107
where: short stacking energy: -216.874
Base-Backbone interact. energy: 2.864
local terms energy: -354.639029
where:
bonds (distance) C4'-P energy: -120.988
bonds (distance) P-C4' energy: -96.579
flat angles C4'-P-C4' energy: -102.044
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: 6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2573.214305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.214305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.214305 (E_RNA)
where:
Base-Base interactions energy: -1753.417
where: short stacking energy: -786.813
Base-Backbone interact. energy: -3.542
local terms energy: -816.255219
where:
bonds (distance) C4'-P energy: -156.271
bonds (distance) P-C4' energy: -141.617
flat angles C4'-P-C4' energy: -169.465
flat angles P-C4'-P energy: -105.363
tors. eta vs tors. theta energy: -243.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2414.113761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.113761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.113761 (E_RNA)
where:
Base-Base interactions energy: -1689.685
where: short stacking energy: -738.084
Base-Backbone interact. energy: -4.166
local terms energy: -720.262740
where:
bonds (distance) C4'-P energy: -137.322
bonds (distance) P-C4' energy: -135.062
flat angles C4'-P-C4' energy: -150.502
flat angles P-C4'-P energy: -98.326
tors. eta vs tors. theta energy: -199.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2374.282737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.282737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.282737 (E_RNA)
where:
Base-Base interactions energy: -1658.068
where: short stacking energy: -707.952
Base-Backbone interact. energy: -0.956
local terms energy: -715.258146
where:
bonds (distance) C4'-P energy: -138.924
bonds (distance) P-C4' energy: -116.302
flat angles C4'-P-C4' energy: -151.371
flat angles P-C4'-P energy: -97.841
tors. eta vs tors. theta energy: -210.821
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: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2237.505089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.505089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.505089 (E_RNA)
where:
Base-Base interactions energy: -1561.098
where: short stacking energy: -620.931
Base-Backbone interact. energy: -1.738
local terms energy: -674.668820
where:
bonds (distance) C4'-P energy: -143.631
bonds (distance) P-C4' energy: -124.344
flat angles C4'-P-C4' energy: -143.448
flat angles P-C4'-P energy: -91.407
tors. eta vs tors. theta energy: -171.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2196.300093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.300093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.300093 (E_RNA)
where:
Base-Base interactions energy: -1516.676
where: short stacking energy: -654.744
Base-Backbone interact. energy: -5.025
local terms energy: -674.599658
where:
bonds (distance) C4'-P energy: -119.572
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -138.233
flat angles P-C4'-P energy: -91.547
tors. eta vs tors. theta energy: -189.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1788.876426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.876426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.876426 (E_RNA)
where:
Base-Base interactions energy: -1175.464
where: short stacking energy: -522.116
Base-Backbone interact. energy: -2.087
local terms energy: -611.325253
where:
bonds (distance) C4'-P energy: -104.842
bonds (distance) P-C4' energy: -134.498
flat angles C4'-P-C4' energy: -143.813
flat angles P-C4'-P energy: -79.721
tors. eta vs tors. theta energy: -148.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1788.060723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.060723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.060723 (E_RNA)
where:
Base-Base interactions energy: -1205.372
where: short stacking energy: -512.628
Base-Backbone interact. energy: -4.469
local terms energy: -578.219618
where:
bonds (distance) C4'-P energy: -119.619
bonds (distance) P-C4' energy: -111.812
flat angles C4'-P-C4' energy: -136.474
flat angles P-C4'-P energy: -86.102
tors. eta vs tors. theta energy: -124.213
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: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1237.824642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.824642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.824642 (E_RNA)
where:
Base-Base interactions energy: -760.648
where: short stacking energy: -368.208
Base-Backbone interact. energy: -1.496
local terms energy: -475.680485
where:
bonds (distance) C4'-P energy: -115.662
bonds (distance) P-C4' energy: -121.641
flat angles C4'-P-C4' energy: -115.675
flat angles P-C4'-P energy: -60.248
tors. eta vs tors. theta energy: -62.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1226.041946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.041946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.041946 (E_RNA)
where:
Base-Base interactions energy: -774.178
where: short stacking energy: -386.739
Base-Backbone interact. energy: -0.846
local terms energy: -451.018102
where:
bonds (distance) C4'-P energy: -100.450
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -125.641
flat angles P-C4'-P energy: -53.472
tors. eta vs tors. theta energy: -69.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -788.211924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.211924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.211924 (E_RNA)
where:
Base-Base interactions energy: -415.584
where: short stacking energy: -219.134
Base-Backbone interact. energy: 9.261
local terms energy: -381.889303
where:
bonds (distance) C4'-P energy: -105.803
bonds (distance) P-C4' energy: -92.184
flat angles C4'-P-C4' energy: -115.825
flat angles P-C4'-P energy: -54.578
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2574.681114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.681114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.681114 (E_RNA)
where:
Base-Base interactions energy: -1758.935
where: short stacking energy: -762.174
Base-Backbone interact. energy: -1.295
local terms energy: -814.451514
where:
bonds (distance) C4'-P energy: -146.689
bonds (distance) P-C4' energy: -142.333
flat angles C4'-P-C4' energy: -175.905
flat angles P-C4'-P energy: -110.444
tors. eta vs tors. theta energy: -239.081
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: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2422.520134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.520134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.520134 (E_RNA)
where:
Base-Base interactions energy: -1670.469
where: short stacking energy: -698.004
Base-Backbone interact. energy: -1.588
local terms energy: -750.463404
where:
bonds (distance) C4'-P energy: -133.157
bonds (distance) P-C4' energy: -137.962
flat angles C4'-P-C4' energy: -170.846
flat angles P-C4'-P energy: -99.643
tors. eta vs tors. theta energy: -208.855
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: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2361.364591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.364591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.364591 (E_RNA)
where:
Base-Base interactions energy: -1634.596
where: short stacking energy: -725.516
Base-Backbone interact. energy: -1.679
local terms energy: -725.089626
where:
bonds (distance) C4'-P energy: -134.816
bonds (distance) P-C4' energy: -120.459
flat angles C4'-P-C4' energy: -162.381
flat angles P-C4'-P energy: -101.899
tors. eta vs tors. theta energy: -205.534
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: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2258.422588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.422588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.422588 (E_RNA)
where:
Base-Base interactions energy: -1581.926
where: short stacking energy: -628.154
Base-Backbone interact. energy: -4.993
local terms energy: -671.502991
where:
bonds (distance) C4'-P energy: -134.207
bonds (distance) P-C4' energy: -124.136
flat angles C4'-P-C4' energy: -146.971
flat angles P-C4'-P energy: -96.280
tors. eta vs tors. theta energy: -169.908
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: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2150.204352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.204352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.204352 (E_RNA)
where:
Base-Base interactions energy: -1429.396
where: short stacking energy: -622.997
Base-Backbone interact. energy: -2.355
local terms energy: -718.453559
where:
bonds (distance) C4'-P energy: -143.148
bonds (distance) P-C4' energy: -143.750
flat angles C4'-P-C4' energy: -151.056
flat angles P-C4'-P energy: -95.781
tors. eta vs tors. theta energy: -184.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1758.532951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.532951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.532951 (E_RNA)
where:
Base-Base interactions energy: -1181.621
where: short stacking energy: -519.702
Base-Backbone interact. energy: -3.460
local terms energy: -573.451148
where:
bonds (distance) C4'-P energy: -119.407
bonds (distance) P-C4' energy: -128.560
flat angles C4'-P-C4' energy: -123.851
flat angles P-C4'-P energy: -68.991
tors. eta vs tors. theta energy: -132.643
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: 276
Temperature: 1.200000
Total energy: -1781.577528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.577528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.577528 (E_RNA)
where:
Base-Base interactions energy: -1207.691
where: short stacking energy: -512.487
Base-Backbone interact. energy: 1.489
local terms energy: -575.374932
where:
bonds (distance) C4'-P energy: -120.248
bonds (distance) P-C4' energy: -114.802
flat angles C4'-P-C4' energy: -135.226
flat angles P-C4'-P energy: -93.602
tors. eta vs tors. theta energy: -111.496
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: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1242.237491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.237491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.237491 (E_RNA)
where:
Base-Base interactions energy: -774.167
where: short stacking energy: -360.750
Base-Backbone interact. energy: -5.861
local terms energy: -462.209232
where:
bonds (distance) C4'-P energy: -111.199
bonds (distance) P-C4' energy: -126.377
flat angles C4'-P-C4' energy: -111.430
flat angles P-C4'-P energy: -59.209
tors. eta vs tors. theta energy: -53.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1273.458715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.458715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.458715 (E_RNA)
where:
Base-Base interactions energy: -780.945
where: short stacking energy: -372.352
Base-Backbone interact. energy: 3.495
local terms energy: -496.008958
where:
bonds (distance) C4'-P energy: -125.533
bonds (distance) P-C4' energy: -125.296
flat angles C4'-P-C4' energy: -102.108
flat angles P-C4'-P energy: -77.341
tors. eta vs tors. theta energy: -65.731
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: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -714.338400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.338400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.338400 (E_RNA)
where:
Base-Base interactions energy: -355.203
where: short stacking energy: -205.452
Base-Backbone interact. energy: -0.268
local terms energy: -358.866830
where:
bonds (distance) C4'-P energy: -110.359
bonds (distance) P-C4' energy: -136.781
flat angles C4'-P-C4' energy: -64.314
flat angles P-C4'-P energy: -64.380
tors. eta vs tors. theta energy: 16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2569.065443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.065443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.065443 (E_RNA)
where:
Base-Base interactions energy: -1768.606
where: short stacking energy: -790.011
Base-Backbone interact. energy: -2.544
local terms energy: -797.915364
where:
bonds (distance) C4'-P energy: -139.752
bonds (distance) P-C4' energy: -143.582
flat angles C4'-P-C4' energy: -165.925
flat angles P-C4'-P energy: -103.019
tors. eta vs tors. theta energy: -245.637
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: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2434.166701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.166701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.166701 (E_RNA)
where:
Base-Base interactions energy: -1697.195
where: short stacking energy: -720.122
Base-Backbone interact. energy: -3.906
local terms energy: -733.066021
where:
bonds (distance) C4'-P energy: -133.440
bonds (distance) P-C4' energy: -133.069
flat angles C4'-P-C4' energy: -150.790
flat angles P-C4'-P energy: -110.571
tors. eta vs tors. theta energy: -205.196
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: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2398.601849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.601849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.601849 (E_RNA)
where:
Base-Base interactions energy: -1666.242
where: short stacking energy: -752.368
Base-Backbone interact. energy: -3.335
local terms energy: -729.025015
where:
bonds (distance) C4'-P energy: -135.179
bonds (distance) P-C4' energy: -135.118
flat angles C4'-P-C4' energy: -152.007
flat angles P-C4'-P energy: -92.451
tors. eta vs tors. theta energy: -214.271
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2284.008519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.008519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.008519 (E_RNA)
where:
Base-Base interactions energy: -1605.986
where: short stacking energy: -661.262
Base-Backbone interact. energy: -2.520
local terms energy: -675.502439
where:
bonds (distance) C4'-P energy: -137.326
bonds (distance) P-C4' energy: -134.312
flat angles C4'-P-C4' energy: -126.674
flat angles P-C4'-P energy: -97.769
tors. eta vs tors. theta energy: -179.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2181.419455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.419455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.419455 (E_RNA)
where:
Base-Base interactions energy: -1493.246
where: short stacking energy: -652.185
Base-Backbone interact. energy: -3.729
local terms energy: -684.444478
where:
bonds (distance) C4'-P energy: -119.895
bonds (distance) P-C4' energy: -125.043
flat angles C4'-P-C4' energy: -150.702
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -195.921
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: 277
Temperature: 1.150000
Total energy: -1798.231388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.231388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.231388 (E_RNA)
where:
Base-Base interactions energy: -1195.242
where: short stacking energy: -520.961
Base-Backbone interact. energy: -1.076
local terms energy: -601.912843
where:
bonds (distance) C4'-P energy: -117.966
bonds (distance) P-C4' energy: -125.235
flat angles C4'-P-C4' energy: -134.190
flat angles P-C4'-P energy: -85.308
tors. eta vs tors. theta energy: -139.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1756.209757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.209757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.209757 (E_RNA)
where:
Base-Base interactions energy: -1188.252
where: short stacking energy: -516.752
Base-Backbone interact. energy: -2.693
local terms energy: -565.264749
where:
bonds (distance) C4'-P energy: -99.428
bonds (distance) P-C4' energy: -111.793
flat angles C4'-P-C4' energy: -124.511
flat angles P-C4'-P energy: -87.565
tors. eta vs tors. theta energy: -141.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1322.187481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.187481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.187481 (E_RNA)
where:
Base-Base interactions energy: -817.939
where: short stacking energy: -418.438
Base-Backbone interact. energy: -0.114
local terms energy: -504.133668
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -130.660
flat angles C4'-P-C4' energy: -104.406
flat angles P-C4'-P energy: -87.074
tors. eta vs tors. theta energy: -77.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1185.207703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.207703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.207703 (E_RNA)
where:
Base-Base interactions energy: -716.744
where: short stacking energy: -350.206
Base-Backbone interact. energy: -0.532
local terms energy: -467.932191
where:
bonds (distance) C4'-P energy: -104.186
bonds (distance) P-C4' energy: -121.624
flat angles C4'-P-C4' energy: -109.407
flat angles P-C4'-P energy: -70.163
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -723.537426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.537426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.537426 (E_RNA)
where:
Base-Base interactions energy: -316.034
where: short stacking energy: -201.340
Base-Backbone interact. energy: -2.930
local terms energy: -404.574361
where:
bonds (distance) C4'-P energy: -101.594
bonds (distance) P-C4' energy: -122.522
flat angles C4'-P-C4' energy: -105.254
flat angles P-C4'-P energy: -69.180
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2555.808195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.808195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.808195 (E_RNA)
where:
Base-Base interactions energy: -1749.672
where: short stacking energy: -771.858
Base-Backbone interact. energy: -4.360
local terms energy: -801.775457
where:
bonds (distance) C4'-P energy: -145.527
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -159.126
flat angles P-C4'-P energy: -112.931
tors. eta vs tors. theta energy: -244.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2428.498051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.498051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.498051 (E_RNA)
where:
Base-Base interactions energy: -1682.303
where: short stacking energy: -712.543
Base-Backbone interact. energy: 0.509
local terms energy: -746.704189
where:
bonds (distance) C4'-P energy: -140.725
bonds (distance) P-C4' energy: -135.798
flat angles C4'-P-C4' energy: -158.455
flat angles P-C4'-P energy: -101.997
tors. eta vs tors. theta energy: -209.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2405.361627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.361627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.361627 (E_RNA)
where:
Base-Base interactions energy: -1661.939
where: short stacking energy: -744.960
Base-Backbone interact. energy: -0.210
local terms energy: -743.213389
where:
bonds (distance) C4'-P energy: -140.070
bonds (distance) P-C4' energy: -129.076
flat angles C4'-P-C4' energy: -162.353
flat angles P-C4'-P energy: -96.363
tors. eta vs tors. theta energy: -215.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2231.319557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.319557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.319557 (E_RNA)
where:
Base-Base interactions energy: -1543.897
where: short stacking energy: -626.367
Base-Backbone interact. energy: 0.718
local terms energy: -688.140842
where:
bonds (distance) C4'-P energy: -135.811
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -150.265
flat angles P-C4'-P energy: -92.515
tors. eta vs tors. theta energy: -176.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2190.129104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.129104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.129104 (E_RNA)
where:
Base-Base interactions energy: -1495.730
where: short stacking energy: -674.765
Base-Backbone interact. energy: -0.209
local terms energy: -694.189807
where:
bonds (distance) C4'-P energy: -129.310
bonds (distance) P-C4' energy: -119.127
flat angles C4'-P-C4' energy: -151.727
flat angles P-C4'-P energy: -96.167
tors. eta vs tors. theta energy: -197.859
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: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1902.005343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.005343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.005343 (E_RNA)
where:
Base-Base interactions energy: -1309.747
where: short stacking energy: -568.596
Base-Backbone interact. energy: 1.947
local terms energy: -594.204795
where:
bonds (distance) C4'-P energy: -99.462
bonds (distance) P-C4' energy: -113.430
flat angles C4'-P-C4' energy: -149.006
flat angles P-C4'-P energy: -84.263
tors. eta vs tors. theta energy: -148.044
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: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1747.807635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.807635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.807635 (E_RNA)
where:
Base-Base interactions energy: -1182.647
where: short stacking energy: -519.103
Base-Backbone interact. energy: -4.383
local terms energy: -560.777298
where:
bonds (distance) C4'-P energy: -108.786
bonds (distance) P-C4' energy: -108.453
flat angles C4'-P-C4' energy: -113.477
flat angles P-C4'-P energy: -91.325
tors. eta vs tors. theta energy: -138.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1355.607366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.607366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.607366 (E_RNA)
where:
Base-Base interactions energy: -863.688
where: short stacking energy: -398.752
Base-Backbone interact. energy: 1.656
local terms energy: -493.575595
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -118.942
flat angles C4'-P-C4' energy: -111.644
flat angles P-C4'-P energy: -68.250
tors. eta vs tors. theta energy: -83.009
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: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1130.401143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.401143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.401143 (E_RNA)
where:
Base-Base interactions energy: -655.657
where: short stacking energy: -310.551
Base-Backbone interact. energy: 3.017
local terms energy: -477.760866
where:
bonds (distance) C4'-P energy: -126.706
bonds (distance) P-C4' energy: -127.853
flat angles C4'-P-C4' energy: -104.438
flat angles P-C4'-P energy: -77.907
tors. eta vs tors. theta energy: -40.856
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: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -722.412160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.412160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.412160 (E_RNA)
where:
Base-Base interactions energy: -341.819
where: short stacking energy: -198.619
Base-Backbone interact. energy: -1.888
local terms energy: -378.705519
where:
bonds (distance) C4'-P energy: -99.476
bonds (distance) P-C4' energy: -136.256
flat angles C4'-P-C4' energy: -103.415
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: 8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2584.980333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.980333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.980333 (E_RNA)
where:
Base-Base interactions energy: -1764.932
where: short stacking energy: -767.795
Base-Backbone interact. energy: -4.956
local terms energy: -815.092080
where:
bonds (distance) C4'-P energy: -129.958
bonds (distance) P-C4' energy: -154.054
flat angles C4'-P-C4' energy: -171.980
flat angles P-C4'-P energy: -117.486
tors. eta vs tors. theta energy: -241.614
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: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2408.753614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.753614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.753614 (E_RNA)
where:
Base-Base interactions energy: -1664.590
where: short stacking energy: -702.185
Base-Backbone interact. energy: -1.357
local terms energy: -742.806031
where:
bonds (distance) C4'-P energy: -124.258
bonds (distance) P-C4' energy: -140.817
flat angles C4'-P-C4' energy: -159.950
flat angles P-C4'-P energy: -121.396
tors. eta vs tors. theta energy: -196.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2386.139268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.139268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.139268 (E_RNA)
where:
Base-Base interactions energy: -1663.398
where: short stacking energy: -714.645
Base-Backbone interact. energy: -6.418
local terms energy: -716.322995
where:
bonds (distance) C4'-P energy: -138.112
bonds (distance) P-C4' energy: -124.075
flat angles C4'-P-C4' energy: -148.900
flat angles P-C4'-P energy: -97.393
tors. eta vs tors. theta energy: -207.843
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: 279
Temperature: 1.050000
Total energy: -2240.878728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.878728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.878728 (E_RNA)
where:
Base-Base interactions energy: -1543.800
where: short stacking energy: -620.960
Base-Backbone interact. energy: -3.997
local terms energy: -693.081673
where:
bonds (distance) C4'-P energy: -139.083
bonds (distance) P-C4' energy: -127.311
flat angles C4'-P-C4' energy: -150.033
flat angles P-C4'-P energy: -92.367
tors. eta vs tors. theta energy: -184.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2174.317867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.317867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.317867 (E_RNA)
where:
Base-Base interactions energy: -1504.963
where: short stacking energy: -644.170
Base-Backbone interact. energy: -3.105
local terms energy: -666.250525
where:
bonds (distance) C4'-P energy: -121.326
bonds (distance) P-C4' energy: -117.163
flat angles C4'-P-C4' energy: -149.185
flat angles P-C4'-P energy: -92.732
tors. eta vs tors. theta energy: -185.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1907.713092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.713092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.713092 (E_RNA)
where:
Base-Base interactions energy: -1254.317
where: short stacking energy: -582.231
Base-Backbone interact. energy: -1.452
local terms energy: -651.944125
where:
bonds (distance) C4'-P energy: -121.460
bonds (distance) P-C4' energy: -116.841
flat angles C4'-P-C4' energy: -140.558
flat angles P-C4'-P energy: -98.174
tors. eta vs tors. theta energy: -174.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1808.293736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.293736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.293736 (E_RNA)
where:
Base-Base interactions energy: -1216.751
where: short stacking energy: -524.932
Base-Backbone interact. energy: -3.385
local terms energy: -588.157888
where:
bonds (distance) C4'-P energy: -124.235
bonds (distance) P-C4' energy: -121.880
flat angles C4'-P-C4' energy: -120.529
flat angles P-C4'-P energy: -89.164
tors. eta vs tors. theta energy: -132.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1333.431688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.431688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.431688 (E_RNA)
where:
Base-Base interactions energy: -849.119
where: short stacking energy: -389.382
Base-Backbone interact. energy: -0.885
local terms energy: -483.427865
where:
bonds (distance) C4'-P energy: -91.165
bonds (distance) P-C4' energy: -112.923
flat angles C4'-P-C4' energy: -117.138
flat angles P-C4'-P energy: -79.940
tors. eta vs tors. theta energy: -82.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1188.436769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.436769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.436769 (E_RNA)
where:
Base-Base interactions energy: -709.355
where: short stacking energy: -345.037
Base-Backbone interact. energy: 2.866
local terms energy: -481.947439
where:
bonds (distance) C4'-P energy: -116.352
bonds (distance) P-C4' energy: -134.540
flat angles C4'-P-C4' energy: -118.308
flat angles P-C4'-P energy: -63.572
tors. eta vs tors. theta energy: -49.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -723.042869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.042869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.042869 (E_RNA)
where:
Base-Base interactions energy: -365.631
where: short stacking energy: -213.426
Base-Backbone interact. energy: 1.220
local terms energy: -358.631234
where:
bonds (distance) C4'-P energy: -101.761
bonds (distance) P-C4' energy: -121.699
flat angles C4'-P-C4' energy: -99.148
flat angles P-C4'-P energy: -37.795
tors. eta vs tors. theta energy: 1.772
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: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2549.279176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.279176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.279176 (E_RNA)
where:
Base-Base interactions energy: -1760.403
where: short stacking energy: -777.362
Base-Backbone interact. energy: -4.651
local terms energy: -784.225302
where:
bonds (distance) C4'-P energy: -124.195
bonds (distance) P-C4' energy: -141.367
flat angles C4'-P-C4' energy: -173.427
flat angles P-C4'-P energy: -112.825
tors. eta vs tors. theta energy: -232.412
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: 280
Temperature: 0.950000
Total energy: -2441.496700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.496700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.496700 (E_RNA)
where:
Base-Base interactions energy: -1687.602
where: short stacking energy: -738.646
Base-Backbone interact. energy: -1.268
local terms energy: -752.627024
where:
bonds (distance) C4'-P energy: -132.874
bonds (distance) P-C4' energy: -133.248
flat angles C4'-P-C4' energy: -157.507
flat angles P-C4'-P energy: -110.361
tors. eta vs tors. theta energy: -218.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2366.742060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.742060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.742060 (E_RNA)
where:
Base-Base interactions energy: -1648.201
where: short stacking energy: -694.552
Base-Backbone interact. energy: -2.720
local terms energy: -715.821556
where:
bonds (distance) C4'-P energy: -121.964
bonds (distance) P-C4' energy: -134.290
flat angles C4'-P-C4' energy: -167.747
flat angles P-C4'-P energy: -91.673
tors. eta vs tors. theta energy: -200.146
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2266.062704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.062704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.062704 (E_RNA)
where:
Base-Base interactions energy: -1594.066
where: short stacking energy: -641.337
Base-Backbone interact. energy: 6.102
local terms energy: -678.099275
where:
bonds (distance) C4'-P energy: -129.449
bonds (distance) P-C4' energy: -119.758
flat angles C4'-P-C4' energy: -154.681
flat angles P-C4'-P energy: -90.230
tors. eta vs tors. theta energy: -183.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2162.098744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.098744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.098744 (E_RNA)
where:
Base-Base interactions energy: -1483.093
where: short stacking energy: -631.133
Base-Backbone interact. energy: -0.717
local terms energy: -678.288076
where:
bonds (distance) C4'-P energy: -122.773
bonds (distance) P-C4' energy: -126.466
flat angles C4'-P-C4' energy: -161.704
flat angles P-C4'-P energy: -88.746
tors. eta vs tors. theta energy: -178.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1925.983894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.983894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.983894 (E_RNA)
where:
Base-Base interactions energy: -1299.050
where: short stacking energy: -575.704
Base-Backbone interact. energy: 2.099
local terms energy: -629.032706
where:
bonds (distance) C4'-P energy: -127.736
bonds (distance) P-C4' energy: -121.576
flat angles C4'-P-C4' energy: -139.119
flat angles P-C4'-P energy: -87.129
tors. eta vs tors. theta energy: -153.473
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: 280
Temperature: 1.200000
Total energy: -1774.857201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.857201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.857201 (E_RNA)
where:
Base-Base interactions energy: -1210.062
where: short stacking energy: -530.037
Base-Backbone interact. energy: -2.600
local terms energy: -562.195165
where:
bonds (distance) C4'-P energy: -142.545
bonds (distance) P-C4' energy: -105.365
flat angles C4'-P-C4' energy: -124.095
flat angles P-C4'-P energy: -74.166
tors. eta vs tors. theta energy: -116.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1276.034202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.034202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.034202 (E_RNA)
where:
Base-Base interactions energy: -794.900
where: short stacking energy: -375.651
Base-Backbone interact. energy: -0.009
local terms energy: -481.125196
where:
bonds (distance) C4'-P energy: -111.950
bonds (distance) P-C4' energy: -124.731
flat angles C4'-P-C4' energy: -113.291
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -61.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1167.671643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.671643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.671643 (E_RNA)
where:
Base-Base interactions energy: -724.953
where: short stacking energy: -334.181
Base-Backbone interact. energy: 2.363
local terms energy: -445.082099
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -115.534
flat angles C4'-P-C4' energy: -81.178
flat angles P-C4'-P energy: -85.299
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -707.156661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.156661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.156661 (E_RNA)
where:
Base-Base interactions energy: -362.819
where: short stacking energy: -242.061
Base-Backbone interact. energy: -0.694
local terms energy: -343.643537
where:
bonds (distance) C4'-P energy: -100.331
bonds (distance) P-C4' energy: -111.450
flat angles C4'-P-C4' energy: -101.905
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: 18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2555.621775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.621775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.621775 (E_RNA)
where:
Base-Base interactions energy: -1745.558
where: short stacking energy: -767.939
Base-Backbone interact. energy: -0.156
local terms energy: -809.908016
where:
bonds (distance) C4'-P energy: -143.664
bonds (distance) P-C4' energy: -143.295
flat angles C4'-P-C4' energy: -166.120
flat angles P-C4'-P energy: -120.762
tors. eta vs tors. theta energy: -236.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2427.052093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.052093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.052093 (E_RNA)
where:
Base-Base interactions energy: -1679.275
where: short stacking energy: -717.953
Base-Backbone interact. energy: -1.013
local terms energy: -746.764412
where:
bonds (distance) C4'-P energy: -133.025
bonds (distance) P-C4' energy: -148.265
flat angles C4'-P-C4' energy: -160.792
flat angles P-C4'-P energy: -108.848
tors. eta vs tors. theta energy: -195.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2349.897954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.897954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.897954 (E_RNA)
where:
Base-Base interactions energy: -1638.388
where: short stacking energy: -674.594
Base-Backbone interact. energy: -5.347
local terms energy: -706.163343
where:
bonds (distance) C4'-P energy: -125.033
bonds (distance) P-C4' energy: -138.146
flat angles C4'-P-C4' energy: -134.147
flat angles P-C4'-P energy: -117.098
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: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2271.074725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.074725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.074725 (E_RNA)
where:
Base-Base interactions energy: -1565.379
where: short stacking energy: -688.345
Base-Backbone interact. energy: 5.299
local terms energy: -710.994130
where:
bonds (distance) C4'-P energy: -136.754
bonds (distance) P-C4' energy: -128.843
flat angles C4'-P-C4' energy: -142.463
flat angles P-C4'-P energy: -100.892
tors. eta vs tors. theta energy: -202.043
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2164.849484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.849484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.849484 (E_RNA)
where:
Base-Base interactions energy: -1530.062
where: short stacking energy: -634.392
Base-Backbone interact. energy: -4.613
local terms energy: -630.175319
where:
bonds (distance) C4'-P energy: -132.898
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -136.694
flat angles P-C4'-P energy: -81.482
tors. eta vs tors. theta energy: -174.517
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: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1915.453899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.453899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.453899 (E_RNA)
where:
Base-Base interactions energy: -1248.982
where: short stacking energy: -555.303
Base-Backbone interact. energy: -5.321
local terms energy: -661.150575
where:
bonds (distance) C4'-P energy: -124.901
bonds (distance) P-C4' energy: -134.033
flat angles C4'-P-C4' energy: -147.570
flat angles P-C4'-P energy: -105.069
tors. eta vs tors. theta energy: -149.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1768.046899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.046899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.046899 (E_RNA)
where:
Base-Base interactions energy: -1158.480
where: short stacking energy: -502.063
Base-Backbone interact. energy: -8.266
local terms energy: -601.300600
where:
bonds (distance) C4'-P energy: -110.973
bonds (distance) P-C4' energy: -123.262
flat angles C4'-P-C4' energy: -135.927
flat angles P-C4'-P energy: -96.724
tors. eta vs tors. theta energy: -134.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1291.131910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.131910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.131910 (E_RNA)
where:
Base-Base interactions energy: -813.839
where: short stacking energy: -406.446
Base-Backbone interact. energy: -1.642
local terms energy: -475.650417
where:
bonds (distance) C4'-P energy: -86.296
bonds (distance) P-C4' energy: -117.426
flat angles C4'-P-C4' energy: -122.389
flat angles P-C4'-P energy: -78.190
tors. eta vs tors. theta energy: -71.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1170.671557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.671557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.671557 (E_RNA)
where:
Base-Base interactions energy: -745.966
where: short stacking energy: -340.449
Base-Backbone interact. energy: -2.792
local terms energy: -421.913707
where:
bonds (distance) C4'-P energy: -103.618
bonds (distance) P-C4' energy: -105.171
flat angles C4'-P-C4' energy: -113.199
flat angles P-C4'-P energy: -68.506
tors. eta vs tors. theta energy: -31.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -736.828865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.828865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.828865 (E_RNA)
where:
Base-Base interactions energy: -355.595
where: short stacking energy: -219.023
Base-Backbone interact. energy: -2.355
local terms energy: -378.878357
where:
bonds (distance) C4'-P energy: -115.739
bonds (distance) P-C4' energy: -113.846
flat angles C4'-P-C4' energy: -83.530
flat angles P-C4'-P energy: -51.601
tors. eta vs tors. theta energy: -14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2576.520442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.520442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.520442 (E_RNA)
where:
Base-Base interactions energy: -1766.843
where: short stacking energy: -768.925
Base-Backbone interact. energy: -4.451
local terms energy: -805.225695
where:
bonds (distance) C4'-P energy: -139.871
bonds (distance) P-C4' energy: -137.258
flat angles C4'-P-C4' energy: -162.932
flat angles P-C4'-P energy: -127.350
tors. eta vs tors. theta energy: -237.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2476.957912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.957912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.957912 (E_RNA)
where:
Base-Base interactions energy: -1733.617
where: short stacking energy: -745.245
Base-Backbone interact. energy: -0.112
local terms energy: -743.228966
where:
bonds (distance) C4'-P energy: -138.820
bonds (distance) P-C4' energy: -138.919
flat angles C4'-P-C4' energy: -149.755
flat angles P-C4'-P energy: -106.472
tors. eta vs tors. theta energy: -209.263
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: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2355.169998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.169998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.169998 (E_RNA)
where:
Base-Base interactions energy: -1651.589
where: short stacking energy: -667.247
Base-Backbone interact. energy: -1.816
local terms energy: -701.764507
where:
bonds (distance) C4'-P energy: -135.295
bonds (distance) P-C4' energy: -137.668
flat angles C4'-P-C4' energy: -137.215
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -196.582
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: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2184.202878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.202878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.202878 (E_RNA)
where:
Base-Base interactions energy: -1533.802
where: short stacking energy: -634.156
Base-Backbone interact. energy: -0.706
local terms energy: -649.694877
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -122.717
flat angles C4'-P-C4' energy: -134.816
flat angles P-C4'-P energy: -88.048
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: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2183.854368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.854368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.854368 (E_RNA)
where:
Base-Base interactions energy: -1547.370
where: short stacking energy: -636.526
Base-Backbone interact. energy: 4.545
local terms energy: -641.029381
where:
bonds (distance) C4'-P energy: -119.057
bonds (distance) P-C4' energy: -124.669
flat angles C4'-P-C4' energy: -137.243
flat angles P-C4'-P energy: -86.073
tors. eta vs tors. theta energy: -173.987
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: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1903.464331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.464331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.464331 (E_RNA)
where:
Base-Base interactions energy: -1272.003
where: short stacking energy: -526.819
Base-Backbone interact. energy: -4.209
local terms energy: -627.252223
where:
bonds (distance) C4'-P energy: -113.555
bonds (distance) P-C4' energy: -129.557
flat angles C4'-P-C4' energy: -141.026
flat angles P-C4'-P energy: -87.128
tors. eta vs tors. theta energy: -155.985
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: 282
Temperature: 1.200000
Total energy: -1751.088476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.088476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.088476 (E_RNA)
where:
Base-Base interactions energy: -1168.939
where: short stacking energy: -529.078
Base-Backbone interact. energy: -1.404
local terms energy: -580.744738
where:
bonds (distance) C4'-P energy: -115.661
bonds (distance) P-C4' energy: -117.520
flat angles C4'-P-C4' energy: -131.708
flat angles P-C4'-P energy: -87.343
tors. eta vs tors. theta energy: -128.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1274.708696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.708696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.708696 (E_RNA)
where:
Base-Base interactions energy: -770.792
where: short stacking energy: -393.859
Base-Backbone interact. energy: -0.711
local terms energy: -503.205635
where:
bonds (distance) C4'-P energy: -99.463
bonds (distance) P-C4' energy: -123.385
flat angles C4'-P-C4' energy: -131.479
flat angles P-C4'-P energy: -63.183
tors. eta vs tors. theta energy: -85.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1137.103537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.103537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.103537 (E_RNA)
where:
Base-Base interactions energy: -690.322
where: short stacking energy: -337.620
Base-Backbone interact. energy: 12.387
local terms energy: -459.167974
where:
bonds (distance) C4'-P energy: -112.316
bonds (distance) P-C4' energy: -122.011
flat angles C4'-P-C4' energy: -116.445
flat angles P-C4'-P energy: -62.241
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -712.091415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.091415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.091415 (E_RNA)
where:
Base-Base interactions energy: -350.251
where: short stacking energy: -212.304
Base-Backbone interact. energy: 0.795
local terms energy: -362.634756
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -125.402
flat angles C4'-P-C4' energy: -92.075
flat angles P-C4'-P energy: -56.081
tors. eta vs tors. theta energy: 18.254
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: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2570.802173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.802173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.802173 (E_RNA)
where:
Base-Base interactions energy: -1767.456
where: short stacking energy: -790.724
Base-Backbone interact. energy: 1.274
local terms energy: -804.620855
where:
bonds (distance) C4'-P energy: -145.977
bonds (distance) P-C4' energy: -135.292
flat angles C4'-P-C4' energy: -165.520
flat angles P-C4'-P energy: -119.097
tors. eta vs tors. theta energy: -238.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2431.227876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.227876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.227876 (E_RNA)
where:
Base-Base interactions energy: -1683.892
where: short stacking energy: -717.808
Base-Backbone interact. energy: -0.277
local terms energy: -747.059438
where:
bonds (distance) C4'-P energy: -138.707
bonds (distance) P-C4' energy: -148.880
flat angles C4'-P-C4' energy: -163.298
flat angles P-C4'-P energy: -103.259
tors. eta vs tors. theta energy: -192.915
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: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2360.765538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.765538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.765538 (E_RNA)
where:
Base-Base interactions energy: -1644.090
where: short stacking energy: -700.249
Base-Backbone interact. energy: 2.341
local terms energy: -719.016509
where:
bonds (distance) C4'-P energy: -139.499
bonds (distance) P-C4' energy: -132.556
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -90.219
tors. eta vs tors. theta energy: -205.164
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: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2239.612993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.612993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.612993 (E_RNA)
where:
Base-Base interactions energy: -1575.669
where: short stacking energy: -640.206
Base-Backbone interact. energy: -5.427
local terms energy: -658.516447
where:
bonds (distance) C4'-P energy: -122.611
bonds (distance) P-C4' energy: -116.167
flat angles C4'-P-C4' energy: -145.427
flat angles P-C4'-P energy: -91.964
tors. eta vs tors. theta energy: -182.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2136.422980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.422980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.422980 (E_RNA)
where:
Base-Base interactions energy: -1462.508
where: short stacking energy: -629.376
Base-Backbone interact. energy: -2.413
local terms energy: -671.501864
where:
bonds (distance) C4'-P energy: -121.881
bonds (distance) P-C4' energy: -131.829
flat angles C4'-P-C4' energy: -145.183
flat angles P-C4'-P energy: -87.998
tors. eta vs tors. theta energy: -184.611
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: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1858.595263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.595263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.595263 (E_RNA)
where:
Base-Base interactions energy: -1253.846
where: short stacking energy: -560.854
Base-Backbone interact. energy: -1.839
local terms energy: -602.909677
where:
bonds (distance) C4'-P energy: -108.554
bonds (distance) P-C4' energy: -106.902
flat angles C4'-P-C4' energy: -147.617
flat angles P-C4'-P energy: -87.488
tors. eta vs tors. theta energy: -152.349
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: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1773.467702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.467702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.467702 (E_RNA)
where:
Base-Base interactions energy: -1199.223
where: short stacking energy: -501.348
Base-Backbone interact. energy: -0.159
local terms energy: -574.086305
where:
bonds (distance) C4'-P energy: -122.018
bonds (distance) P-C4' energy: -123.914
flat angles C4'-P-C4' energy: -118.892
flat angles P-C4'-P energy: -75.766
tors. eta vs tors. theta energy: -133.497
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1275.546092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.546092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.546092 (E_RNA)
where:
Base-Base interactions energy: -762.624
where: short stacking energy: -399.085
Base-Backbone interact. energy: -1.992
local terms energy: -510.930733
where:
bonds (distance) C4'-P energy: -122.871
bonds (distance) P-C4' energy: -125.687
flat angles C4'-P-C4' energy: -114.407
flat angles P-C4'-P energy: -73.291
tors. eta vs tors. theta energy: -74.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1150.021696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.021696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.021696 (E_RNA)
where:
Base-Base interactions energy: -668.305
where: short stacking energy: -333.500
Base-Backbone interact. energy: 3.624
local terms energy: -485.339962
where:
bonds (distance) C4'-P energy: -123.100
bonds (distance) P-C4' energy: -106.572
flat angles C4'-P-C4' energy: -123.994
flat angles P-C4'-P energy: -78.847
tors. eta vs tors. theta energy: -52.826
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: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -724.160818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.160818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.160818 (E_RNA)
where:
Base-Base interactions energy: -344.437
where: short stacking energy: -215.987
Base-Backbone interact. energy: 3.322
local terms energy: -383.045004
where:
bonds (distance) C4'-P energy: -116.312
bonds (distance) P-C4' energy: -123.198
flat angles C4'-P-C4' energy: -94.108
flat angles P-C4'-P energy: -65.331
tors. eta vs tors. theta energy: 15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2572.348949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.348949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.348949 (E_RNA)
where:
Base-Base interactions energy: -1785.419
where: short stacking energy: -794.094
Base-Backbone interact. energy: -0.123
local terms energy: -786.807630
where:
bonds (distance) C4'-P energy: -135.861
bonds (distance) P-C4' energy: -136.282
flat angles C4'-P-C4' energy: -170.593
flat angles P-C4'-P energy: -105.178
tors. eta vs tors. theta energy: -238.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2466.026683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.026683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.026683 (E_RNA)
where:
Base-Base interactions energy: -1725.928
where: short stacking energy: -722.455
Base-Backbone interact. energy: -0.066
local terms energy: -740.032205
where:
bonds (distance) C4'-P energy: -124.635
bonds (distance) P-C4' energy: -141.470
flat angles C4'-P-C4' energy: -158.463
flat angles P-C4'-P energy: -111.958
tors. eta vs tors. theta energy: -203.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2349.739018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.739018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.739018 (E_RNA)
where:
Base-Base interactions energy: -1637.704
where: short stacking energy: -710.236
Base-Backbone interact. energy: -1.121
local terms energy: -710.914188
where:
bonds (distance) C4'-P energy: -136.355
bonds (distance) P-C4' energy: -133.082
flat angles C4'-P-C4' energy: -142.755
flat angles P-C4'-P energy: -96.786
tors. eta vs tors. theta energy: -201.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2253.475720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.475720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.475720 (E_RNA)
where:
Base-Base interactions energy: -1584.066
where: short stacking energy: -629.801
Base-Backbone interact. energy: -2.828
local terms energy: -666.582144
where:
bonds (distance) C4'-P energy: -122.016
bonds (distance) P-C4' energy: -133.427
flat angles C4'-P-C4' energy: -141.084
flat angles P-C4'-P energy: -91.032
tors. eta vs tors. theta energy: -179.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2149.371643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.371643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.371643 (E_RNA)
where:
Base-Base interactions energy: -1460.253
where: short stacking energy: -645.489
Base-Backbone interact. energy: -3.090
local terms energy: -686.028463
where:
bonds (distance) C4'-P energy: -118.732
bonds (distance) P-C4' energy: -126.127
flat angles C4'-P-C4' energy: -149.028
flat angles P-C4'-P energy: -97.482
tors. eta vs tors. theta energy: -194.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1855.433664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.433664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.433664 (E_RNA)
where:
Base-Base interactions energy: -1232.290
where: short stacking energy: -552.397
Base-Backbone interact. energy: -2.601
local terms energy: -620.542639
where:
bonds (distance) C4'-P energy: -114.853
bonds (distance) P-C4' energy: -130.121
flat angles C4'-P-C4' energy: -129.878
flat angles P-C4'-P energy: -83.491
tors. eta vs tors. theta energy: -162.199
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1721.285564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.285564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.285564 (E_RNA)
where:
Base-Base interactions energy: -1157.819
where: short stacking energy: -512.357
Base-Backbone interact. energy: -1.732
local terms energy: -561.734598
where:
bonds (distance) C4'-P energy: -107.697
bonds (distance) P-C4' energy: -110.515
flat angles C4'-P-C4' energy: -134.567
flat angles P-C4'-P energy: -88.841
tors. eta vs tors. theta energy: -120.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1267.151487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.151487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.151487 (E_RNA)
where:
Base-Base interactions energy: -770.715
where: short stacking energy: -381.334
Base-Backbone interact. energy: -1.394
local terms energy: -495.042381
where:
bonds (distance) C4'-P energy: -114.457
bonds (distance) P-C4' energy: -106.017
flat angles C4'-P-C4' energy: -129.119
flat angles P-C4'-P energy: -78.343
tors. eta vs tors. theta energy: -67.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1132.418676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.418676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.418676 (E_RNA)
where:
Base-Base interactions energy: -651.940
where: short stacking energy: -269.043
Base-Backbone interact. energy: 2.741
local terms energy: -483.220518
where:
bonds (distance) C4'-P energy: -112.399
bonds (distance) P-C4' energy: -137.019
flat angles C4'-P-C4' energy: -109.437
flat angles P-C4'-P energy: -86.554
tors. eta vs tors. theta energy: -37.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -740.343669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.343669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.343669 (E_RNA)
where:
Base-Base interactions energy: -369.554
where: short stacking energy: -215.916
Base-Backbone interact. energy: 0.114
local terms energy: -370.903403
where:
bonds (distance) C4'-P energy: -87.563
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -111.222
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2553.980976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.980976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.980976 (E_RNA)
where:
Base-Base interactions energy: -1757.288
where: short stacking energy: -758.541
Base-Backbone interact. energy: -5.800
local terms energy: -790.892771
where:
bonds (distance) C4'-P energy: -144.995
bonds (distance) P-C4' energy: -148.180
flat angles C4'-P-C4' energy: -151.421
flat angles P-C4'-P energy: -105.990
tors. eta vs tors. theta energy: -240.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2418.408001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.408001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.408001 (E_RNA)
where:
Base-Base interactions energy: -1650.617
where: short stacking energy: -696.894
Base-Backbone interact. energy: 1.454
local terms energy: -769.245142
where:
bonds (distance) C4'-P energy: -132.715
bonds (distance) P-C4' energy: -145.165
flat angles C4'-P-C4' energy: -170.812
flat angles P-C4'-P energy: -113.296
tors. eta vs tors. theta energy: -207.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2353.727116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.727116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.727116 (E_RNA)
where:
Base-Base interactions energy: -1641.749
where: short stacking energy: -702.080
Base-Backbone interact. energy: 0.816
local terms energy: -712.793902
where:
bonds (distance) C4'-P energy: -137.789
bonds (distance) P-C4' energy: -132.835
flat angles C4'-P-C4' energy: -144.620
flat angles P-C4'-P energy: -94.481
tors. eta vs tors. theta energy: -203.068
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: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2218.534687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.534687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.534687 (E_RNA)
where:
Base-Base interactions energy: -1575.875
where: short stacking energy: -633.471
Base-Backbone interact. energy: -4.328
local terms energy: -638.331122
where:
bonds (distance) C4'-P energy: -124.160
bonds (distance) P-C4' energy: -136.817
flat angles C4'-P-C4' energy: -132.553
flat angles P-C4'-P energy: -78.155
tors. eta vs tors. theta energy: -166.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2168.650056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.650056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.650056 (E_RNA)
where:
Base-Base interactions energy: -1523.503
where: short stacking energy: -661.040
Base-Backbone interact. energy: -1.340
local terms energy: -643.807652
where:
bonds (distance) C4'-P energy: -122.632
bonds (distance) P-C4' energy: -114.242
flat angles C4'-P-C4' energy: -139.373
flat angles P-C4'-P energy: -82.416
tors. eta vs tors. theta energy: -185.145
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: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1818.538095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.538095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.538095 (E_RNA)
where:
Base-Base interactions energy: -1206.634
where: short stacking energy: -535.714
Base-Backbone interact. energy: -2.982
local terms energy: -608.921829
where:
bonds (distance) C4'-P energy: -105.425
bonds (distance) P-C4' energy: -137.917
flat angles C4'-P-C4' energy: -124.492
flat angles P-C4'-P energy: -91.707
tors. eta vs tors. theta energy: -149.380
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: 285
Temperature: 1.200000
Total energy: -1684.854129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.854129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.854129 (E_RNA)
where:
Base-Base interactions energy: -1127.563
where: short stacking energy: -509.328
Base-Backbone interact. energy: -4.680
local terms energy: -552.611097
where:
bonds (distance) C4'-P energy: -114.896
bonds (distance) P-C4' energy: -112.488
flat angles C4'-P-C4' energy: -133.149
flat angles P-C4'-P energy: -65.121
tors. eta vs tors. theta energy: -126.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1285.838181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.838181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.838181 (E_RNA)
where:
Base-Base interactions energy: -779.817
where: short stacking energy: -370.968
Base-Backbone interact. energy: 4.917
local terms energy: -510.937597
where:
bonds (distance) C4'-P energy: -111.213
bonds (distance) P-C4' energy: -119.813
flat angles C4'-P-C4' energy: -117.693
flat angles P-C4'-P energy: -100.108
tors. eta vs tors. theta energy: -62.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1121.921967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.921967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.921967 (E_RNA)
where:
Base-Base interactions energy: -669.980
where: short stacking energy: -330.249
Base-Backbone interact. energy: 3.069
local terms energy: -455.010885
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -140.310
flat angles C4'-P-C4' energy: -124.870
flat angles P-C4'-P energy: -60.338
tors. eta vs tors. theta energy: -40.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -723.998447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.998447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.998447 (E_RNA)
where:
Base-Base interactions energy: -352.169
where: short stacking energy: -206.150
Base-Backbone interact. energy: 2.883
local terms energy: -374.712733
where:
bonds (distance) C4'-P energy: -107.302
bonds (distance) P-C4' energy: -118.707
flat angles C4'-P-C4' energy: -104.836
flat angles P-C4'-P energy: -65.585
tors. eta vs tors. theta energy: 21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2576.988258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.988258 (E_RNA)
where:
Base-Base interactions energy: -1761.543
where: short stacking energy: -777.399
Base-Backbone interact. energy: -4.502
local terms energy: -810.942619
where:
bonds (distance) C4'-P energy: -141.924
bonds (distance) P-C4' energy: -153.199
flat angles C4'-P-C4' energy: -166.247
flat angles P-C4'-P energy: -110.554
tors. eta vs tors. theta energy: -239.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2431.484220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.484220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.484220 (E_RNA)
where:
Base-Base interactions energy: -1666.288
where: short stacking energy: -728.718
Base-Backbone interact. energy: -2.085
local terms energy: -763.111014
where:
bonds (distance) C4'-P energy: -143.492
bonds (distance) P-C4' energy: -140.518
flat angles C4'-P-C4' energy: -163.367
flat angles P-C4'-P energy: -113.227
tors. eta vs tors. theta energy: -202.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2334.657122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.657122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.657122 (E_RNA)
where:
Base-Base interactions energy: -1631.508
where: short stacking energy: -678.913
Base-Backbone interact. energy: -2.994
local terms energy: -700.154905
where:
bonds (distance) C4'-P energy: -135.717
bonds (distance) P-C4' energy: -131.334
flat angles C4'-P-C4' energy: -150.378
flat angles P-C4'-P energy: -88.504
tors. eta vs tors. theta energy: -194.222
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: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2239.151517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.151517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.151517 (E_RNA)
where:
Base-Base interactions energy: -1569.504
where: short stacking energy: -611.754
Base-Backbone interact. energy: 0.503
local terms energy: -670.150943
where:
bonds (distance) C4'-P energy: -129.194
bonds (distance) P-C4' energy: -129.332
flat angles C4'-P-C4' energy: -152.418
flat angles P-C4'-P energy: -94.079
tors. eta vs tors. theta energy: -165.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2145.023246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.023246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.023246 (E_RNA)
where:
Base-Base interactions energy: -1463.433
where: short stacking energy: -627.095
Base-Backbone interact. energy: -4.138
local terms energy: -677.452070
where:
bonds (distance) C4'-P energy: -129.557
bonds (distance) P-C4' energy: -130.505
flat angles C4'-P-C4' energy: -137.492
flat angles P-C4'-P energy: -93.954
tors. eta vs tors. theta energy: -185.945
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: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1841.558734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.558734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.558734 (E_RNA)
where:
Base-Base interactions energy: -1251.990
where: short stacking energy: -540.895
Base-Backbone interact. energy: -0.634
local terms energy: -588.934993
where:
bonds (distance) C4'-P energy: -112.843
bonds (distance) P-C4' energy: -121.861
flat angles C4'-P-C4' energy: -136.333
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -143.546
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: 286
Temperature: 1.200000
Total energy: -1755.640382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.640382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.640382 (E_RNA)
where:
Base-Base interactions energy: -1181.722
where: short stacking energy: -506.103
Base-Backbone interact. energy: -2.224
local terms energy: -571.694629
where:
bonds (distance) C4'-P energy: -100.946
bonds (distance) P-C4' energy: -129.200
flat angles C4'-P-C4' energy: -114.015
flat angles P-C4'-P energy: -96.277
tors. eta vs tors. theta energy: -131.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1290.656454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.656454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.656454 (E_RNA)
where:
Base-Base interactions energy: -792.657
where: short stacking energy: -403.507
Base-Backbone interact. energy: 4.528
local terms energy: -502.527884
where:
bonds (distance) C4'-P energy: -113.340
bonds (distance) P-C4' energy: -117.595
flat angles C4'-P-C4' energy: -110.408
flat angles P-C4'-P energy: -88.330
tors. eta vs tors. theta energy: -72.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1094.481349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.481349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.481349 (E_RNA)
where:
Base-Base interactions energy: -636.280
where: short stacking energy: -313.357
Base-Backbone interact. energy: 1.472
local terms energy: -459.672919
where:
bonds (distance) C4'-P energy: -107.054
bonds (distance) P-C4' energy: -103.681
flat angles C4'-P-C4' energy: -135.018
flat angles P-C4'-P energy: -68.042
tors. eta vs tors. theta energy: -45.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -758.165062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.165062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.165062 (E_RNA)
where:
Base-Base interactions energy: -390.583
where: short stacking energy: -195.553
Base-Backbone interact. energy: -0.117
local terms energy: -367.464939
where:
bonds (distance) C4'-P energy: -108.810
bonds (distance) P-C4' energy: -117.058
flat angles C4'-P-C4' energy: -90.845
flat angles P-C4'-P energy: -69.295
tors. eta vs tors. theta energy: 18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2582.470293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.470293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.470293 (E_RNA)
where:
Base-Base interactions energy: -1772.943
where: short stacking energy: -768.695
Base-Backbone interact. energy: -4.109
local terms energy: -805.418856
where:
bonds (distance) C4'-P energy: -141.016
bonds (distance) P-C4' energy: -134.103
flat angles C4'-P-C4' energy: -165.938
flat angles P-C4'-P energy: -122.280
tors. eta vs tors. theta energy: -242.081
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2444.602995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.602995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.602995 (E_RNA)
where:
Base-Base interactions energy: -1668.397
where: short stacking energy: -743.125
Base-Backbone interact. energy: -3.180
local terms energy: -773.025545
where:
bonds (distance) C4'-P energy: -133.015
bonds (distance) P-C4' energy: -151.915
flat angles C4'-P-C4' energy: -160.895
flat angles P-C4'-P energy: -115.172
tors. eta vs tors. theta energy: -212.028
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: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2325.265282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.265282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.265282 (E_RNA)
where:
Base-Base interactions energy: -1608.070
where: short stacking energy: -696.105
Base-Backbone interact. energy: -3.928
local terms energy: -713.266923
where:
bonds (distance) C4'-P energy: -123.113
bonds (distance) P-C4' energy: -141.799
flat angles C4'-P-C4' energy: -147.673
flat angles P-C4'-P energy: -102.580
tors. eta vs tors. theta energy: -198.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2193.677148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.677148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.677148 (E_RNA)
where:
Base-Base interactions energy: -1528.741
where: short stacking energy: -627.739
Base-Backbone interact. energy: -1.435
local terms energy: -663.501105
where:
bonds (distance) C4'-P energy: -110.457
bonds (distance) P-C4' energy: -126.638
flat angles C4'-P-C4' energy: -150.499
flat angles P-C4'-P energy: -100.763
tors. eta vs tors. theta energy: -175.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2155.325594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.325594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.325594 (E_RNA)
where:
Base-Base interactions energy: -1472.640
where: short stacking energy: -629.822
Base-Backbone interact. energy: -0.032
local terms energy: -682.653522
where:
bonds (distance) C4'-P energy: -120.851
bonds (distance) P-C4' energy: -140.742
flat angles C4'-P-C4' energy: -146.308
flat angles P-C4'-P energy: -96.231
tors. eta vs tors. theta energy: -178.522
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1808.697014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.697014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.697014 (E_RNA)
where:
Base-Base interactions energy: -1224.228
where: short stacking energy: -537.269
Base-Backbone interact. energy: 0.574
local terms energy: -585.043328
where:
bonds (distance) C4'-P energy: -121.032
bonds (distance) P-C4' energy: -114.551
flat angles C4'-P-C4' energy: -137.676
flat angles P-C4'-P energy: -89.553
tors. eta vs tors. theta energy: -122.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1792.506347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.506347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.506347 (E_RNA)
where:
Base-Base interactions energy: -1161.920
where: short stacking energy: -513.047
Base-Backbone interact. energy: -3.462
local terms energy: -627.124052
where:
bonds (distance) C4'-P energy: -128.127
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -136.933
flat angles P-C4'-P energy: -91.520
tors. eta vs tors. theta energy: -143.523
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: 287
Temperature: 1.250000
Total energy: -1309.004175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.004175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.004175 (E_RNA)
where:
Base-Base interactions energy: -826.537
where: short stacking energy: -391.702
Base-Backbone interact. energy: -2.021
local terms energy: -480.445737
where:
bonds (distance) C4'-P energy: -105.185
bonds (distance) P-C4' energy: -120.345
flat angles C4'-P-C4' energy: -113.932
flat angles P-C4'-P energy: -65.785
tors. eta vs tors. theta energy: -75.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1145.833762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.833762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.833762 (E_RNA)
where:
Base-Base interactions energy: -685.178
where: short stacking energy: -339.003
Base-Backbone interact. energy: -0.434
local terms energy: -460.222126
where:
bonds (distance) C4'-P energy: -114.259
bonds (distance) P-C4' energy: -117.435
flat angles C4'-P-C4' energy: -106.484
flat angles P-C4'-P energy: -80.196
tors. eta vs tors. theta energy: -41.848
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: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -872.738106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.738106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.738106 (E_RNA)
where:
Base-Base interactions energy: -487.970
where: short stacking energy: -252.931
Base-Backbone interact. energy: 8.118
local terms energy: -392.885237
where:
bonds (distance) C4'-P energy: -109.986
bonds (distance) P-C4' energy: -117.928
flat angles C4'-P-C4' energy: -104.955
flat angles P-C4'-P energy: -56.427
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2542.230195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.230195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.230195 (E_RNA)
where:
Base-Base interactions energy: -1713.168
where: short stacking energy: -749.794
Base-Backbone interact. energy: -2.789
local terms energy: -826.272548
where:
bonds (distance) C4'-P energy: -168.723
bonds (distance) P-C4' energy: -150.279
flat angles C4'-P-C4' energy: -162.724
flat angles P-C4'-P energy: -107.423
tors. eta vs tors. theta energy: -237.124
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: 288
Temperature: 0.950000
Total energy: -2441.845066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.845066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.845066 (E_RNA)
where:
Base-Base interactions energy: -1685.042
where: short stacking energy: -721.288
Base-Backbone interact. energy: -2.953
local terms energy: -753.850150
where:
bonds (distance) C4'-P energy: -140.916
bonds (distance) P-C4' energy: -138.409
flat angles C4'-P-C4' energy: -162.995
flat angles P-C4'-P energy: -101.296
tors. eta vs tors. theta energy: -210.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2374.307806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.307806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.307806 (E_RNA)
where:
Base-Base interactions energy: -1628.579
where: short stacking energy: -718.658
Base-Backbone interact. energy: -6.751
local terms energy: -738.978243
where:
bonds (distance) C4'-P energy: -134.907
bonds (distance) P-C4' energy: -134.125
flat angles C4'-P-C4' energy: -159.246
flat angles P-C4'-P energy: -108.147
tors. eta vs tors. theta energy: -202.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2206.470238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.470238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.470238 (E_RNA)
where:
Base-Base interactions energy: -1501.154
where: short stacking energy: -674.259
Base-Backbone interact. energy: -1.238
local terms energy: -704.077868
where:
bonds (distance) C4'-P energy: -140.977
bonds (distance) P-C4' energy: -123.375
flat angles C4'-P-C4' energy: -156.373
flat angles P-C4'-P energy: -96.456
tors. eta vs tors. theta energy: -186.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2180.452102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.452102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.452102 (E_RNA)
where:
Base-Base interactions energy: -1521.736
where: short stacking energy: -612.374
Base-Backbone interact. energy: 4.533
local terms energy: -663.249331
where:
bonds (distance) C4'-P energy: -125.698
bonds (distance) P-C4' energy: -144.127
flat angles C4'-P-C4' energy: -137.881
flat angles P-C4'-P energy: -92.506
tors. eta vs tors. theta energy: -163.037
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: 288
Temperature: 1.150000
Total energy: -1760.469157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.469157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.469157 (E_RNA)
where:
Base-Base interactions energy: -1156.676
where: short stacking energy: -499.069
Base-Backbone interact. energy: -5.030
local terms energy: -598.763115
where:
bonds (distance) C4'-P energy: -109.451
bonds (distance) P-C4' energy: -123.471
flat angles C4'-P-C4' energy: -140.349
flat angles P-C4'-P energy: -90.044
tors. eta vs tors. theta energy: -135.449
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: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1741.498193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.498193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.498193 (E_RNA)
where:
Base-Base interactions energy: -1149.490
where: short stacking energy: -495.691
Base-Backbone interact. energy: -0.658
local terms energy: -591.350291
where:
bonds (distance) C4'-P energy: -125.894
bonds (distance) P-C4' energy: -144.610
flat angles C4'-P-C4' energy: -115.410
flat angles P-C4'-P energy: -88.684
tors. eta vs tors. theta energy: -116.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1318.930987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.930987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.930987 (E_RNA)
where:
Base-Base interactions energy: -815.085
where: short stacking energy: -382.265
Base-Backbone interact. energy: -0.799
local terms energy: -503.046744
where:
bonds (distance) C4'-P energy: -128.380
bonds (distance) P-C4' energy: -116.162
flat angles C4'-P-C4' energy: -110.715
flat angles P-C4'-P energy: -77.292
tors. eta vs tors. theta energy: -70.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1128.535299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.535299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.535299 (E_RNA)
where:
Base-Base interactions energy: -693.311
where: short stacking energy: -320.755
Base-Backbone interact. energy: 4.135
local terms energy: -439.359329
where:
bonds (distance) C4'-P energy: -92.983
bonds (distance) P-C4' energy: -126.076
flat angles C4'-P-C4' energy: -109.033
flat angles P-C4'-P energy: -71.223
tors. eta vs tors. theta energy: -40.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -869.293294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.293294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.293294 (E_RNA)
where:
Base-Base interactions energy: -482.535
where: short stacking energy: -228.404
Base-Backbone interact. energy: -1.442
local terms energy: -385.316478
where:
bonds (distance) C4'-P energy: -91.023
bonds (distance) P-C4' energy: -105.813
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -77.074
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2564.501874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.501874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.501874 (E_RNA)
where:
Base-Base interactions energy: -1764.765
where: short stacking energy: -786.642
Base-Backbone interact. energy: -1.120
local terms energy: -798.616284
where:
bonds (distance) C4'-P energy: -141.625
bonds (distance) P-C4' energy: -141.106
flat angles C4'-P-C4' energy: -160.918
flat angles P-C4'-P energy: -112.374
tors. eta vs tors. theta energy: -242.593
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2453.032531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.032531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.032531 (E_RNA)
where:
Base-Base interactions energy: -1707.794
where: short stacking energy: -713.915
Base-Backbone interact. energy: -1.104
local terms energy: -744.134875
where:
bonds (distance) C4'-P energy: -141.683
bonds (distance) P-C4' energy: -129.225
flat angles C4'-P-C4' energy: -164.979
flat angles P-C4'-P energy: -105.744
tors. eta vs tors. theta energy: -202.504
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: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2344.923595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.923595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.923595 (E_RNA)
where:
Base-Base interactions energy: -1645.539
where: short stacking energy: -688.162
Base-Backbone interact. energy: -1.965
local terms energy: -697.420033
where:
bonds (distance) C4'-P energy: -119.455
bonds (distance) P-C4' energy: -133.854
flat angles C4'-P-C4' energy: -149.620
flat angles P-C4'-P energy: -93.138
tors. eta vs tors. theta energy: -201.353
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: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2227.425780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.425780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.425780 (E_RNA)
where:
Base-Base interactions energy: -1556.646
where: short stacking energy: -631.568
Base-Backbone interact. energy: -2.146
local terms energy: -668.633843
where:
bonds (distance) C4'-P energy: -105.472
bonds (distance) P-C4' energy: -129.935
flat angles C4'-P-C4' energy: -163.954
flat angles P-C4'-P energy: -96.815
tors. eta vs tors. theta energy: -172.459
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2194.881081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.881081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.881081 (E_RNA)
where:
Base-Base interactions energy: -1515.648
where: short stacking energy: -637.225
Base-Backbone interact. energy: 2.893
local terms energy: -682.125924
where:
bonds (distance) C4'-P energy: -149.526
bonds (distance) P-C4' energy: -119.105
flat angles C4'-P-C4' energy: -142.537
flat angles P-C4'-P energy: -100.963
tors. eta vs tors. theta energy: -169.995
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: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1883.356640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.356640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.356640 (E_RNA)
where:
Base-Base interactions energy: -1256.922
where: short stacking energy: -569.358
Base-Backbone interact. energy: -3.411
local terms energy: -623.023674
where:
bonds (distance) C4'-P energy: -128.464
bonds (distance) P-C4' energy: -120.025
flat angles C4'-P-C4' energy: -138.028
flat angles P-C4'-P energy: -92.362
tors. eta vs tors. theta energy: -144.145
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: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1751.504297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.504297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.504297 (E_RNA)
where:
Base-Base interactions energy: -1177.805
where: short stacking energy: -521.507
Base-Backbone interact. energy: -3.075
local terms energy: -570.624113
where:
bonds (distance) C4'-P energy: -105.601
bonds (distance) P-C4' energy: -124.037
flat angles C4'-P-C4' energy: -132.426
flat angles P-C4'-P energy: -92.351
tors. eta vs tors. theta energy: -116.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1347.377435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.377435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.377435 (E_RNA)
where:
Base-Base interactions energy: -861.429
where: short stacking energy: -390.665
Base-Backbone interact. energy: 0.670
local terms energy: -486.618033
where:
bonds (distance) C4'-P energy: -99.179
bonds (distance) P-C4' energy: -132.855
flat angles C4'-P-C4' energy: -117.089
flat angles P-C4'-P energy: -69.361
tors. eta vs tors. theta energy: -68.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1156.797091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.797091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.797091 (E_RNA)
where:
Base-Base interactions energy: -694.273
where: short stacking energy: -350.453
Base-Backbone interact. energy: -2.812
local terms energy: -459.712204
where:
bonds (distance) C4'-P energy: -110.387
bonds (distance) P-C4' energy: -103.909
flat angles C4'-P-C4' energy: -119.270
flat angles P-C4'-P energy: -71.190
tors. eta vs tors. theta energy: -54.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -941.501049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.501049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.501049 (E_RNA)
where:
Base-Base interactions energy: -533.275
where: short stacking energy: -268.244
Base-Backbone interact. energy: 3.420
local terms energy: -411.646029
where:
bonds (distance) C4'-P energy: -103.734
bonds (distance) P-C4' energy: -107.964
flat angles C4'-P-C4' energy: -95.455
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: -40.521
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: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2561.548740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.548740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.548740 (E_RNA)
where:
Base-Base interactions energy: -1765.638
where: short stacking energy: -763.396
Base-Backbone interact. energy: -7.429
local terms energy: -788.481219
where:
bonds (distance) C4'-P energy: -133.885
bonds (distance) P-C4' energy: -142.358
flat angles C4'-P-C4' energy: -152.076
flat angles P-C4'-P energy: -124.105
tors. eta vs tors. theta energy: -236.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2410.493270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.493270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.493270 (E_RNA)
where:
Base-Base interactions energy: -1684.216
where: short stacking energy: -684.008
Base-Backbone interact. energy: -3.309
local terms energy: -722.968144
where:
bonds (distance) C4'-P energy: -138.879
bonds (distance) P-C4' energy: -130.546
flat angles C4'-P-C4' energy: -152.119
flat angles P-C4'-P energy: -107.409
tors. eta vs tors. theta energy: -194.016
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: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2393.476446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.476446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.476446 (E_RNA)
where:
Base-Base interactions energy: -1667.665
where: short stacking energy: -696.438
Base-Backbone interact. energy: -4.904
local terms energy: -720.907168
where:
bonds (distance) C4'-P energy: -128.476
bonds (distance) P-C4' energy: -131.153
flat angles C4'-P-C4' energy: -152.390
flat angles P-C4'-P energy: -109.664
tors. eta vs tors. theta energy: -199.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2258.362898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.362898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.362898 (E_RNA)
where:
Base-Base interactions energy: -1587.879
where: short stacking energy: -637.513
Base-Backbone interact. energy: -1.678
local terms energy: -668.805692
where:
bonds (distance) C4'-P energy: -117.881
bonds (distance) P-C4' energy: -136.069
flat angles C4'-P-C4' energy: -141.257
flat angles P-C4'-P energy: -95.784
tors. eta vs tors. theta energy: -177.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2198.571080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.571080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.571080 (E_RNA)
where:
Base-Base interactions energy: -1532.540
where: short stacking energy: -642.352
Base-Backbone interact. energy: -2.484
local terms energy: -663.546523
where:
bonds (distance) C4'-P energy: -126.487
bonds (distance) P-C4' energy: -110.252
flat angles C4'-P-C4' energy: -150.722
flat angles P-C4'-P energy: -86.956
tors. eta vs tors. theta energy: -189.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1849.023295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.023295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.023295 (E_RNA)
where:
Base-Base interactions energy: -1231.100
where: short stacking energy: -549.438
Base-Backbone interact. energy: -4.285
local terms energy: -613.637809
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -131.045
flat angles C4'-P-C4' energy: -149.340
flat angles P-C4'-P energy: -91.459
tors. eta vs tors. theta energy: -134.205
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: 290
Temperature: 1.200000
Total energy: -1774.559321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.559321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.559321 (E_RNA)
where:
Base-Base interactions energy: -1178.428
where: short stacking energy: -540.101
Base-Backbone interact. energy: -0.921
local terms energy: -595.210991
where:
bonds (distance) C4'-P energy: -127.104
bonds (distance) P-C4' energy: -108.696
flat angles C4'-P-C4' energy: -142.995
flat angles P-C4'-P energy: -89.707
tors. eta vs tors. theta energy: -126.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1321.389396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.389396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.389396 (E_RNA)
where:
Base-Base interactions energy: -830.952
where: short stacking energy: -399.511
Base-Backbone interact. energy: -4.207
local terms energy: -486.231230
where:
bonds (distance) C4'-P energy: -120.873
bonds (distance) P-C4' energy: -108.728
flat angles C4'-P-C4' energy: -108.352
flat angles P-C4'-P energy: -77.603
tors. eta vs tors. theta energy: -70.675
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1124.014586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.014586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.014586 (E_RNA)
where:
Base-Base interactions energy: -688.966
where: short stacking energy: -337.208
Base-Backbone interact. energy: 0.182
local terms energy: -435.231173
where:
bonds (distance) C4'-P energy: -119.749
bonds (distance) P-C4' energy: -94.590
flat angles C4'-P-C4' energy: -103.123
flat angles P-C4'-P energy: -87.517
tors. eta vs tors. theta energy: -30.252
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: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -891.396108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.396108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.396108 (E_RNA)
where:
Base-Base interactions energy: -499.152
where: short stacking energy: -260.681
Base-Backbone interact. energy: -3.504
local terms energy: -388.740242
where:
bonds (distance) C4'-P energy: -96.298
bonds (distance) P-C4' energy: -115.634
flat angles C4'-P-C4' energy: -98.495
flat angles P-C4'-P energy: -64.723
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2568.092476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.092476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.092476 (E_RNA)
where:
Base-Base interactions energy: -1769.458
where: short stacking energy: -767.666
Base-Backbone interact. energy: -5.578
local terms energy: -793.057281
where:
bonds (distance) C4'-P energy: -134.514
bonds (distance) P-C4' energy: -146.709
flat angles C4'-P-C4' energy: -170.952
flat angles P-C4'-P energy: -105.323
tors. eta vs tors. theta energy: -235.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2435.992309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.992309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.992309 (E_RNA)
where:
Base-Base interactions energy: -1686.774
where: short stacking energy: -705.686
Base-Backbone interact. energy: -2.707
local terms energy: -746.511153
where:
bonds (distance) C4'-P energy: -136.456
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -155.746
flat angles P-C4'-P energy: -107.328
tors. eta vs tors. theta energy: -212.093
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: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2410.628249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.628249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.628249 (E_RNA)
where:
Base-Base interactions energy: -1677.974
where: short stacking energy: -715.905
Base-Backbone interact. energy: -5.113
local terms energy: -727.541335
where:
bonds (distance) C4'-P energy: -140.487
bonds (distance) P-C4' energy: -128.618
flat angles C4'-P-C4' energy: -160.070
flat angles P-C4'-P energy: -98.524
tors. eta vs tors. theta energy: -199.842
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: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2264.995485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.995485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.995485 (E_RNA)
where:
Base-Base interactions energy: -1548.505
where: short stacking energy: -670.987
Base-Backbone interact. energy: -1.942
local terms energy: -714.548348
where:
bonds (distance) C4'-P energy: -131.311
bonds (distance) P-C4' energy: -131.836
flat angles C4'-P-C4' energy: -151.535
flat angles P-C4'-P energy: -105.480
tors. eta vs tors. theta energy: -194.386
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: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2204.614249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.614249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.614249 (E_RNA)
where:
Base-Base interactions energy: -1530.583
where: short stacking energy: -599.290
Base-Backbone interact. energy: -2.675
local terms energy: -671.356339
where:
bonds (distance) C4'-P energy: -141.777
bonds (distance) P-C4' energy: -145.347
flat angles C4'-P-C4' energy: -142.596
flat angles P-C4'-P energy: -75.451
tors. eta vs tors. theta energy: -166.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1858.852414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.852414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.852414 (E_RNA)
where:
Base-Base interactions energy: -1273.796
where: short stacking energy: -531.633
Base-Backbone interact. energy: 0.372
local terms energy: -585.427810
where:
bonds (distance) C4'-P energy: -115.331
bonds (distance) P-C4' energy: -119.716
flat angles C4'-P-C4' energy: -142.317
flat angles P-C4'-P energy: -78.090
tors. eta vs tors. theta energy: -129.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1746.984994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.984994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.984994 (E_RNA)
where:
Base-Base interactions energy: -1167.401
where: short stacking energy: -506.066
Base-Backbone interact. energy: -0.601
local terms energy: -578.983040
where:
bonds (distance) C4'-P energy: -108.598
bonds (distance) P-C4' energy: -126.094
flat angles C4'-P-C4' energy: -129.443
flat angles P-C4'-P energy: -82.377
tors. eta vs tors. theta energy: -132.472
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: 291
Temperature: 1.250000
Total energy: -1300.791306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.791306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.791306 (E_RNA)
where:
Base-Base interactions energy: -824.523
where: short stacking energy: -392.583
Base-Backbone interact. energy: 9.039
local terms energy: -485.307835
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -141.172
flat angles C4'-P-C4' energy: -94.537
flat angles P-C4'-P energy: -64.291
tors. eta vs tors. theta energy: -66.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1087.564685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.564685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.564685 (E_RNA)
where:
Base-Base interactions energy: -627.719
where: short stacking energy: -330.336
Base-Backbone interact. energy: -0.232
local terms energy: -459.613169
where:
bonds (distance) C4'-P energy: -109.469
bonds (distance) P-C4' energy: -112.789
flat angles C4'-P-C4' energy: -111.095
flat angles P-C4'-P energy: -69.039
tors. eta vs tors. theta energy: -57.221
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -898.671502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.671502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.671502 (E_RNA)
where:
Base-Base interactions energy: -511.933
where: short stacking energy: -256.961
Base-Backbone interact. energy: -1.764
local terms energy: -384.974163
where:
bonds (distance) C4'-P energy: -96.179
bonds (distance) P-C4' energy: -122.222
flat angles C4'-P-C4' energy: -95.589
flat angles P-C4'-P energy: -64.630
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2566.875575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.875575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.875575 (E_RNA)
where:
Base-Base interactions energy: -1749.683
where: short stacking energy: -767.362
Base-Backbone interact. energy: -2.619
local terms energy: -814.573528
where:
bonds (distance) C4'-P energy: -145.452
bonds (distance) P-C4' energy: -134.439
flat angles C4'-P-C4' energy: -171.069
flat angles P-C4'-P energy: -122.099
tors. eta vs tors. theta energy: -241.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2451.514808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.514808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.514808 (E_RNA)
where:
Base-Base interactions energy: -1686.077
where: short stacking energy: -703.380
Base-Backbone interact. energy: -4.619
local terms energy: -760.818871
where:
bonds (distance) C4'-P energy: -125.720
bonds (distance) P-C4' energy: -151.765
flat angles C4'-P-C4' energy: -162.065
flat angles P-C4'-P energy: -105.642
tors. eta vs tors. theta energy: -215.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2348.075072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.075072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.075072 (E_RNA)
where:
Base-Base interactions energy: -1626.924
where: short stacking energy: -694.632
Base-Backbone interact. energy: -2.668
local terms energy: -718.482560
where:
bonds (distance) C4'-P energy: -133.045
bonds (distance) P-C4' energy: -128.545
flat angles C4'-P-C4' energy: -156.605
flat angles P-C4'-P energy: -106.071
tors. eta vs tors. theta energy: -194.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2215.913232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.913232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.913232 (E_RNA)
where:
Base-Base interactions energy: -1524.645
where: short stacking energy: -650.454
Base-Backbone interact. energy: -3.038
local terms energy: -688.230406
where:
bonds (distance) C4'-P energy: -112.036
bonds (distance) P-C4' energy: -141.360
flat angles C4'-P-C4' energy: -153.981
flat angles P-C4'-P energy: -88.695
tors. eta vs tors. theta energy: -192.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2188.846412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.846412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.846412 (E_RNA)
where:
Base-Base interactions energy: -1522.596
where: short stacking energy: -620.072
Base-Backbone interact. energy: -1.114
local terms energy: -665.136792
where:
bonds (distance) C4'-P energy: -119.436
bonds (distance) P-C4' energy: -137.719
flat angles C4'-P-C4' energy: -142.089
flat angles P-C4'-P energy: -94.261
tors. eta vs tors. theta energy: -171.631
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: 292
Temperature: 1.150000
Total energy: -1855.431722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.431722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.431722 (E_RNA)
where:
Base-Base interactions energy: -1226.062
where: short stacking energy: -554.945
Base-Backbone interact. energy: -1.235
local terms energy: -628.134523
where:
bonds (distance) C4'-P energy: -133.099
bonds (distance) P-C4' energy: -130.579
flat angles C4'-P-C4' energy: -145.047
flat angles P-C4'-P energy: -76.123
tors. eta vs tors. theta energy: -143.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1746.386782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.386782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.386782 (E_RNA)
where:
Base-Base interactions energy: -1205.545
where: short stacking energy: -535.686
Base-Backbone interact. energy: 7.034
local terms energy: -547.875249
where:
bonds (distance) C4'-P energy: -97.034
bonds (distance) P-C4' energy: -134.635
flat angles C4'-P-C4' energy: -121.983
flat angles P-C4'-P energy: -71.312
tors. eta vs tors. theta energy: -122.911
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: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1384.957312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.957312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.957312 (E_RNA)
where:
Base-Base interactions energy: -872.086
where: short stacking energy: -394.490
Base-Backbone interact. energy: -2.664
local terms energy: -510.207333
where:
bonds (distance) C4'-P energy: -121.248
bonds (distance) P-C4' energy: -136.581
flat angles C4'-P-C4' energy: -117.207
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -65.286
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: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1103.852404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.852404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.852404 (E_RNA)
where:
Base-Base interactions energy: -653.077
where: short stacking energy: -332.775
Base-Backbone interact. energy: -3.193
local terms energy: -447.581751
where:
bonds (distance) C4'-P energy: -95.047
bonds (distance) P-C4' energy: -122.615
flat angles C4'-P-C4' energy: -123.305
flat angles P-C4'-P energy: -64.825
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -904.781836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.781836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.781836 (E_RNA)
where:
Base-Base interactions energy: -500.393
where: short stacking energy: -284.627
Base-Backbone interact. energy: 0.581
local terms energy: -404.970635
where:
bonds (distance) C4'-P energy: -126.543
bonds (distance) P-C4' energy: -103.717
flat angles C4'-P-C4' energy: -83.518
flat angles P-C4'-P energy: -57.718
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2546.187736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.187736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.187736 (E_RNA)
where:
Base-Base interactions energy: -1759.577
where: short stacking energy: -782.206
Base-Backbone interact. energy: -1.923
local terms energy: -784.687764
where:
bonds (distance) C4'-P energy: -130.426
bonds (distance) P-C4' energy: -144.528
flat angles C4'-P-C4' energy: -163.588
flat angles P-C4'-P energy: -108.558
tors. eta vs tors. theta energy: -237.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2495.058569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.058569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.058569 (E_RNA)
where:
Base-Base interactions energy: -1713.764
where: short stacking energy: -734.554
Base-Backbone interact. energy: -5.450
local terms energy: -775.844168
where:
bonds (distance) C4'-P energy: -128.332
bonds (distance) P-C4' energy: -143.448
flat angles C4'-P-C4' energy: -167.381
flat angles P-C4'-P energy: -109.718
tors. eta vs tors. theta energy: -226.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2353.968745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.968745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.968745 (E_RNA)
where:
Base-Base interactions energy: -1616.990
where: short stacking energy: -705.558
Base-Backbone interact. energy: -2.850
local terms energy: -734.129106
where:
bonds (distance) C4'-P energy: -138.335
bonds (distance) P-C4' energy: -139.015
flat angles C4'-P-C4' energy: -144.519
flat angles P-C4'-P energy: -111.855
tors. eta vs tors. theta energy: -200.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2292.200836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.200836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.200836 (E_RNA)
where:
Base-Base interactions energy: -1553.550
where: short stacking energy: -670.779
Base-Backbone interact. energy: -3.342
local terms energy: -735.308984
where:
bonds (distance) C4'-P energy: -134.143
bonds (distance) P-C4' energy: -146.135
flat angles C4'-P-C4' energy: -152.201
flat angles P-C4'-P energy: -107.036
tors. eta vs tors. theta energy: -195.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2179.214886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.214886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.214886 (E_RNA)
where:
Base-Base interactions energy: -1512.061
where: short stacking energy: -631.052
Base-Backbone interact. energy: -2.337
local terms energy: -664.817218
where:
bonds (distance) C4'-P energy: -107.094
bonds (distance) P-C4' energy: -134.156
flat angles C4'-P-C4' energy: -147.292
flat angles P-C4'-P energy: -84.400
tors. eta vs tors. theta energy: -191.875
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: 293
Temperature: 1.150000
Total energy: -1848.478047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.478047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.478047 (E_RNA)
where:
Base-Base interactions energy: -1249.068
where: short stacking energy: -534.809
Base-Backbone interact. energy: -1.911
local terms energy: -597.498380
where:
bonds (distance) C4'-P energy: -107.490
bonds (distance) P-C4' energy: -140.988
flat angles C4'-P-C4' energy: -128.332
flat angles P-C4'-P energy: -82.085
tors. eta vs tors. theta energy: -138.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1762.755475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.755475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.755475 (E_RNA)
where:
Base-Base interactions energy: -1190.535
where: short stacking energy: -509.135
Base-Backbone interact. energy: -0.173
local terms energy: -572.047199
where:
bonds (distance) C4'-P energy: -115.593
bonds (distance) P-C4' energy: -112.804
flat angles C4'-P-C4' energy: -135.353
flat angles P-C4'-P energy: -77.102
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: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1384.631177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.631177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.631177 (E_RNA)
where:
Base-Base interactions energy: -860.279
where: short stacking energy: -406.612
Base-Backbone interact. energy: -0.126
local terms energy: -524.226844
where:
bonds (distance) C4'-P energy: -131.726
bonds (distance) P-C4' energy: -129.054
flat angles C4'-P-C4' energy: -116.880
flat angles P-C4'-P energy: -76.474
tors. eta vs tors. theta energy: -70.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1131.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.717072 (E_RNA)
where:
Base-Base interactions energy: -684.125
where: short stacking energy: -351.302
Base-Backbone interact. energy: -4.207
local terms energy: -443.384868
where:
bonds (distance) C4'-P energy: -126.766
bonds (distance) P-C4' energy: -104.405
flat angles C4'-P-C4' energy: -105.426
flat angles P-C4'-P energy: -51.403
tors. eta vs tors. theta energy: -55.384
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: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -874.059593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.059593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.059593 (E_RNA)
where:
Base-Base interactions energy: -480.346
where: short stacking energy: -257.861
Base-Backbone interact. energy: -0.305
local terms energy: -393.408870
where:
bonds (distance) C4'-P energy: -103.196
bonds (distance) P-C4' energy: -118.241
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2578.378345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.378345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.378345 (E_RNA)
where:
Base-Base interactions energy: -1780.522
where: short stacking energy: -779.560
Base-Backbone interact. energy: -4.288
local terms energy: -793.567925
where:
bonds (distance) C4'-P energy: -133.593
bonds (distance) P-C4' energy: -129.784
flat angles C4'-P-C4' energy: -172.822
flat angles P-C4'-P energy: -114.343
tors. eta vs tors. theta energy: -243.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2464.233918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.233918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.233918 (E_RNA)
where:
Base-Base interactions energy: -1706.107
where: short stacking energy: -720.187
Base-Backbone interact. energy: 0.443
local terms energy: -758.569563
where:
bonds (distance) C4'-P energy: -133.662
bonds (distance) P-C4' energy: -137.762
flat angles C4'-P-C4' energy: -160.136
flat angles P-C4'-P energy: -113.326
tors. eta vs tors. theta energy: -213.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2361.968335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.968335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.968335 (E_RNA)
where:
Base-Base interactions energy: -1632.537
where: short stacking energy: -687.699
Base-Backbone interact. energy: -3.167
local terms energy: -726.264279
where:
bonds (distance) C4'-P energy: -121.245
bonds (distance) P-C4' energy: -126.640
flat angles C4'-P-C4' energy: -161.804
flat angles P-C4'-P energy: -113.136
tors. eta vs tors. theta energy: -203.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2255.187029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.187029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.187029 (E_RNA)
where:
Base-Base interactions energy: -1571.813
where: short stacking energy: -688.426
Base-Backbone interact. energy: -0.156
local terms energy: -683.217742
where:
bonds (distance) C4'-P energy: -132.213
bonds (distance) P-C4' energy: -134.206
flat angles C4'-P-C4' energy: -140.607
flat angles P-C4'-P energy: -80.554
tors. eta vs tors. theta energy: -195.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2178.348407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.348407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.348407 (E_RNA)
where:
Base-Base interactions energy: -1527.328
where: short stacking energy: -602.900
Base-Backbone interact. energy: -4.178
local terms energy: -646.843304
where:
bonds (distance) C4'-P energy: -127.412
bonds (distance) P-C4' energy: -115.586
flat angles C4'-P-C4' energy: -149.785
flat angles P-C4'-P energy: -89.684
tors. eta vs tors. theta energy: -164.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1820.218472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.218472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.218472 (E_RNA)
where:
Base-Base interactions energy: -1202.518
where: short stacking energy: -568.671
Base-Backbone interact. energy: -3.503
local terms energy: -614.197379
where:
bonds (distance) C4'-P energy: -141.408
bonds (distance) P-C4' energy: -118.889
flat angles C4'-P-C4' energy: -138.130
flat angles P-C4'-P energy: -69.394
tors. eta vs tors. theta energy: -146.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1737.253172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.253172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.253172 (E_RNA)
where:
Base-Base interactions energy: -1164.910
where: short stacking energy: -513.763
Base-Backbone interact. energy: 0.602
local terms energy: -572.945102
where:
bonds (distance) C4'-P energy: -111.240
bonds (distance) P-C4' energy: -125.879
flat angles C4'-P-C4' energy: -127.895
flat angles P-C4'-P energy: -79.481
tors. eta vs tors. theta energy: -128.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1322.737041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.737041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.737041 (E_RNA)
where:
Base-Base interactions energy: -840.472
where: short stacking energy: -411.440
Base-Backbone interact. energy: 2.502
local terms energy: -484.766830
where:
bonds (distance) C4'-P energy: -113.850
bonds (distance) P-C4' energy: -102.486
flat angles C4'-P-C4' energy: -142.955
flat angles P-C4'-P energy: -60.299
tors. eta vs tors. theta energy: -65.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1065.875237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.875237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.875237 (E_RNA)
where:
Base-Base interactions energy: -674.730
where: short stacking energy: -302.390
Base-Backbone interact. energy: 3.853
local terms energy: -394.998046
where:
bonds (distance) C4'-P energy: -107.372
bonds (distance) P-C4' energy: -112.504
flat angles C4'-P-C4' energy: -110.412
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -892.156540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.156540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.156540 (E_RNA)
where:
Base-Base interactions energy: -469.511
where: short stacking energy: -248.496
Base-Backbone interact. energy: -0.481
local terms energy: -422.165001
where:
bonds (distance) C4'-P energy: -108.574
bonds (distance) P-C4' energy: -145.798
flat angles C4'-P-C4' energy: -107.802
flat angles P-C4'-P energy: -50.407
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2565.166835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.166835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.166835 (E_RNA)
where:
Base-Base interactions energy: -1760.583
where: short stacking energy: -757.068
Base-Backbone interact. energy: -4.463
local terms energy: -800.120875
where:
bonds (distance) C4'-P energy: -143.820
bonds (distance) P-C4' energy: -145.895
flat angles C4'-P-C4' energy: -166.700
flat angles P-C4'-P energy: -101.371
tors. eta vs tors. theta energy: -242.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2442.918797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.918797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.918797 (E_RNA)
where:
Base-Base interactions energy: -1680.692
where: short stacking energy: -712.696
Base-Backbone interact. energy: -3.245
local terms energy: -758.982440
where:
bonds (distance) C4'-P energy: -138.759
bonds (distance) P-C4' energy: -140.405
flat angles C4'-P-C4' energy: -162.819
flat angles P-C4'-P energy: -106.133
tors. eta vs tors. theta energy: -210.867
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: 295
Temperature: 1.000000
Total energy: -2336.041593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.041593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.041593 (E_RNA)
where:
Base-Base interactions energy: -1612.908
where: short stacking energy: -686.872
Base-Backbone interact. energy: 0.095
local terms energy: -723.228416
where:
bonds (distance) C4'-P energy: -128.394
bonds (distance) P-C4' energy: -135.673
flat angles C4'-P-C4' energy: -154.125
flat angles P-C4'-P energy: -108.832
tors. eta vs tors. theta energy: -196.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2209.271248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.271248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.271248 (E_RNA)
where:
Base-Base interactions energy: -1528.025
where: short stacking energy: -638.301
Base-Backbone interact. energy: -3.797
local terms energy: -677.448892
where:
bonds (distance) C4'-P energy: -124.457
bonds (distance) P-C4' energy: -139.452
flat angles C4'-P-C4' energy: -152.658
flat angles P-C4'-P energy: -84.516
tors. eta vs tors. theta energy: -176.366
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: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2216.974567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.974567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.974567 (E_RNA)
where:
Base-Base interactions energy: -1538.506
where: short stacking energy: -664.985
Base-Backbone interact. energy: -4.625
local terms energy: -673.843411
where:
bonds (distance) C4'-P energy: -113.153
bonds (distance) P-C4' energy: -125.555
flat angles C4'-P-C4' energy: -152.170
flat angles P-C4'-P energy: -95.037
tors. eta vs tors. theta energy: -187.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1815.878346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.878346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.878346 (E_RNA)
where:
Base-Base interactions energy: -1212.298
where: short stacking energy: -553.491
Base-Backbone interact. energy: -1.861
local terms energy: -601.719024
where:
bonds (distance) C4'-P energy: -129.116
bonds (distance) P-C4' energy: -120.839
flat angles C4'-P-C4' energy: -153.543
flat angles P-C4'-P energy: -62.610
tors. eta vs tors. theta energy: -135.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1707.878507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.878507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.878507 (E_RNA)
where:
Base-Base interactions energy: -1136.223
where: short stacking energy: -477.117
Base-Backbone interact. energy: -0.423
local terms energy: -571.233061
where:
bonds (distance) C4'-P energy: -111.863
bonds (distance) P-C4' energy: -123.530
flat angles C4'-P-C4' energy: -131.304
flat angles P-C4'-P energy: -86.518
tors. eta vs tors. theta energy: -118.019
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: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1379.158519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.158519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.158519 (E_RNA)
where:
Base-Base interactions energy: -838.658
where: short stacking energy: -414.823
Base-Backbone interact. energy: -2.232
local terms energy: -538.268258
where:
bonds (distance) C4'-P energy: -127.156
bonds (distance) P-C4' energy: -133.524
flat angles C4'-P-C4' energy: -129.023
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -67.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1098.448774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.448774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.448774 (E_RNA)
where:
Base-Base interactions energy: -620.338
where: short stacking energy: -308.572
Base-Backbone interact. energy: 1.094
local terms energy: -479.204977
where:
bonds (distance) C4'-P energy: -127.751
bonds (distance) P-C4' energy: -123.951
flat angles C4'-P-C4' energy: -106.368
flat angles P-C4'-P energy: -76.529
tors. eta vs tors. theta energy: -44.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -877.783547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.783547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.783547 (E_RNA)
where:
Base-Base interactions energy: -504.826
where: short stacking energy: -295.868
Base-Backbone interact. energy: 0.456
local terms energy: -373.413731
where:
bonds (distance) C4'-P energy: -99.980
bonds (distance) P-C4' energy: -104.594
flat angles C4'-P-C4' energy: -95.093
flat angles P-C4'-P energy: -58.829
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2561.427639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.427639 (E_RNA)
where:
Base-Base interactions energy: -1767.531
where: short stacking energy: -786.137
Base-Backbone interact. energy: -2.490
local terms energy: -791.406981
where:
bonds (distance) C4'-P energy: -133.672
bonds (distance) P-C4' energy: -139.233
flat angles C4'-P-C4' energy: -169.200
flat angles P-C4'-P energy: -106.315
tors. eta vs tors. theta energy: -242.988
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: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2463.992225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.992225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.992225 (E_RNA)
where:
Base-Base interactions energy: -1708.686
where: short stacking energy: -738.680
Base-Backbone interact. energy: -1.881
local terms energy: -753.424984
where:
bonds (distance) C4'-P energy: -127.565
bonds (distance) P-C4' energy: -136.683
flat angles C4'-P-C4' energy: -164.207
flat angles P-C4'-P energy: -107.448
tors. eta vs tors. theta energy: -217.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2385.776458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.776458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.776458 (E_RNA)
where:
Base-Base interactions energy: -1679.253
where: short stacking energy: -704.932
Base-Backbone interact. energy: 0.069
local terms energy: -706.591722
where:
bonds (distance) C4'-P energy: -118.282
bonds (distance) P-C4' energy: -146.203
flat angles C4'-P-C4' energy: -142.789
flat angles P-C4'-P energy: -92.663
tors. eta vs tors. theta energy: -206.654
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: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2209.718917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.718917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.718917 (E_RNA)
where:
Base-Base interactions energy: -1528.919
where: short stacking energy: -617.604
Base-Backbone interact. energy: -4.646
local terms energy: -676.154615
where:
bonds (distance) C4'-P energy: -119.956
bonds (distance) P-C4' energy: -124.494
flat angles C4'-P-C4' energy: -157.241
flat angles P-C4'-P energy: -96.815
tors. eta vs tors. theta energy: -177.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2234.705743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.705743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.705743 (E_RNA)
where:
Base-Base interactions energy: -1552.556
where: short stacking energy: -687.169
Base-Backbone interact. energy: -2.043
local terms energy: -680.106907
where:
bonds (distance) C4'-P energy: -125.787
bonds (distance) P-C4' energy: -126.024
flat angles C4'-P-C4' energy: -141.167
flat angles P-C4'-P energy: -95.139
tors. eta vs tors. theta energy: -191.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1861.424699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.424699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.424699 (E_RNA)
where:
Base-Base interactions energy: -1218.917
where: short stacking energy: -562.962
Base-Backbone interact. energy: 1.026
local terms energy: -643.533466
where:
bonds (distance) C4'-P energy: -130.900
bonds (distance) P-C4' energy: -116.643
flat angles C4'-P-C4' energy: -142.109
flat angles P-C4'-P energy: -101.180
tors. eta vs tors. theta energy: -152.701
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: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1716.532271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.532271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.532271 (E_RNA)
where:
Base-Base interactions energy: -1154.871
where: short stacking energy: -513.752
Base-Backbone interact. energy: -3.262
local terms energy: -558.398961
where:
bonds (distance) C4'-P energy: -113.150
bonds (distance) P-C4' energy: -122.343
flat angles C4'-P-C4' energy: -127.084
flat angles P-C4'-P energy: -71.733
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: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1426.495819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.495819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.495819 (E_RNA)
where:
Base-Base interactions energy: -890.960
where: short stacking energy: -409.339
Base-Backbone interact. energy: 2.261
local terms energy: -537.796684
where:
bonds (distance) C4'-P energy: -110.700
bonds (distance) P-C4' energy: -132.300
flat angles C4'-P-C4' energy: -122.876
flat angles P-C4'-P energy: -84.753
tors. eta vs tors. theta energy: -87.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1185.114132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.114132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.114132 (E_RNA)
where:
Base-Base interactions energy: -722.409
where: short stacking energy: -361.252
Base-Backbone interact. energy: -2.326
local terms energy: -460.379778
where:
bonds (distance) C4'-P energy: -104.552
bonds (distance) P-C4' energy: -110.222
flat angles C4'-P-C4' energy: -121.153
flat angles P-C4'-P energy: -62.813
tors. eta vs tors. theta energy: -61.640
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: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -843.965274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.965274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.965274 (E_RNA)
where:
Base-Base interactions energy: -436.067
where: short stacking energy: -229.271
Base-Backbone interact. energy: 7.005
local terms energy: -414.903006
where:
bonds (distance) C4'-P energy: -107.476
bonds (distance) P-C4' energy: -106.786
flat angles C4'-P-C4' energy: -115.460
flat angles P-C4'-P energy: -76.936
tors. eta vs tors. theta energy: -8.245
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: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2558.277325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.277325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.277325 (E_RNA)
where:
Base-Base interactions energy: -1736.093
where: short stacking energy: -774.754
Base-Backbone interact. energy: -0.967
local terms energy: -821.218289
where:
bonds (distance) C4'-P energy: -153.566
bonds (distance) P-C4' energy: -142.867
flat angles C4'-P-C4' energy: -169.705
flat angles P-C4'-P energy: -119.100
tors. eta vs tors. theta energy: -235.980
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: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2456.713477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.713477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.713477 (E_RNA)
where:
Base-Base interactions energy: -1726.123
where: short stacking energy: -733.017
Base-Backbone interact. energy: 0.563
local terms energy: -731.153947
where:
bonds (distance) C4'-P energy: -131.053
bonds (distance) P-C4' energy: -139.376
flat angles C4'-P-C4' energy: -151.223
flat angles P-C4'-P energy: -96.926
tors. eta vs tors. theta energy: -212.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2341.260655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.260655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.260655 (E_RNA)
where:
Base-Base interactions energy: -1627.428
where: short stacking energy: -672.512
Base-Backbone interact. energy: -4.703
local terms energy: -709.129659
where:
bonds (distance) C4'-P energy: -127.516
bonds (distance) P-C4' energy: -137.093
flat angles C4'-P-C4' energy: -148.295
flat angles P-C4'-P energy: -110.914
tors. eta vs tors. theta energy: -185.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2300.925715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.925715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.925715 (E_RNA)
where:
Base-Base interactions energy: -1598.183
where: short stacking energy: -706.410
Base-Backbone interact. energy: -0.082
local terms energy: -702.660673
where:
bonds (distance) C4'-P energy: -130.076
bonds (distance) P-C4' energy: -127.354
flat angles C4'-P-C4' energy: -136.103
flat angles P-C4'-P energy: -98.092
tors. eta vs tors. theta energy: -211.036
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: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2182.390638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.390638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.390638 (E_RNA)
where:
Base-Base interactions energy: -1513.679
where: short stacking energy: -591.531
Base-Backbone interact. energy: -1.307
local terms energy: -667.404819
where:
bonds (distance) C4'-P energy: -127.712
bonds (distance) P-C4' energy: -135.995
flat angles C4'-P-C4' energy: -142.103
flat angles P-C4'-P energy: -93.939
tors. eta vs tors. theta energy: -167.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1785.360541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.360541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.360541 (E_RNA)
where:
Base-Base interactions energy: -1148.167
where: short stacking energy: -543.713
Base-Backbone interact. energy: 1.649
local terms energy: -638.842561
where:
bonds (distance) C4'-P energy: -114.060
bonds (distance) P-C4' energy: -128.450
flat angles C4'-P-C4' energy: -151.833
flat angles P-C4'-P energy: -100.963
tors. eta vs tors. theta energy: -143.536
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: 297
Temperature: 1.200000
Total energy: -1692.197366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.197366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.197366 (E_RNA)
where:
Base-Base interactions energy: -1107.684
where: short stacking energy: -498.284
Base-Backbone interact. energy: 2.780
local terms energy: -587.293008
where:
bonds (distance) C4'-P energy: -124.638
bonds (distance) P-C4' energy: -124.995
flat angles C4'-P-C4' energy: -117.943
flat angles P-C4'-P energy: -84.967
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: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1422.978293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.978293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.978293 (E_RNA)
where:
Base-Base interactions energy: -884.404
where: short stacking energy: -411.444
Base-Backbone interact. energy: -0.369
local terms energy: -538.205434
where:
bonds (distance) C4'-P energy: -120.761
bonds (distance) P-C4' energy: -114.124
flat angles C4'-P-C4' energy: -119.099
flat angles P-C4'-P energy: -84.337
tors. eta vs tors. theta energy: -99.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1159.312500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.312500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.312500 (E_RNA)
where:
Base-Base interactions energy: -701.174
where: short stacking energy: -314.122
Base-Backbone interact. energy: -1.563
local terms energy: -456.575735
where:
bonds (distance) C4'-P energy: -128.212
bonds (distance) P-C4' energy: -113.816
flat angles C4'-P-C4' energy: -102.626
flat angles P-C4'-P energy: -63.131
tors. eta vs tors. theta energy: -48.791
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: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -885.429511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.429511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.429511 (E_RNA)
where:
Base-Base interactions energy: -490.595
where: short stacking energy: -239.104
Base-Backbone interact. energy: -1.577
local terms energy: -393.257194
where:
bonds (distance) C4'-P energy: -104.059
bonds (distance) P-C4' energy: -117.749
flat angles C4'-P-C4' energy: -90.127
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2577.978035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.978035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.978035 (E_RNA)
where:
Base-Base interactions energy: -1776.750
where: short stacking energy: -779.134
Base-Backbone interact. energy: -1.144
local terms energy: -800.083503
where:
bonds (distance) C4'-P energy: -145.502
bonds (distance) P-C4' energy: -129.028
flat angles C4'-P-C4' energy: -171.791
flat angles P-C4'-P energy: -116.890
tors. eta vs tors. theta energy: -236.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2482.754350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.754350 (E_RNA)
where:
Base-Base interactions energy: -1706.927
where: short stacking energy: -744.037
Base-Backbone interact. energy: -0.754
local terms energy: -775.073672
where:
bonds (distance) C4'-P energy: -146.888
bonds (distance) P-C4' energy: -152.538
flat angles C4'-P-C4' energy: -148.592
flat angles P-C4'-P energy: -111.573
tors. eta vs tors. theta energy: -215.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2352.892089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.892089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.892089 (E_RNA)
where:
Base-Base interactions energy: -1625.154
where: short stacking energy: -692.081
Base-Backbone interact. energy: -3.166
local terms energy: -724.571727
where:
bonds (distance) C4'-P energy: -127.029
bonds (distance) P-C4' energy: -121.386
flat angles C4'-P-C4' energy: -159.174
flat angles P-C4'-P energy: -105.239
tors. eta vs tors. theta energy: -211.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2306.970038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.970038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.970038 (E_RNA)
where:
Base-Base interactions energy: -1607.596
where: short stacking energy: -655.885
Base-Backbone interact. energy: -1.605
local terms energy: -697.769493
where:
bonds (distance) C4'-P energy: -130.197
bonds (distance) P-C4' energy: -126.419
flat angles C4'-P-C4' energy: -148.888
flat angles P-C4'-P energy: -92.629
tors. eta vs tors. theta energy: -199.636
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: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2174.495096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.495096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.495096 (E_RNA)
where:
Base-Base interactions energy: -1488.437
where: short stacking energy: -628.696
Base-Backbone interact. energy: -1.237
local terms energy: -684.821401
where:
bonds (distance) C4'-P energy: -131.111
bonds (distance) P-C4' energy: -140.293
flat angles C4'-P-C4' energy: -141.429
flat angles P-C4'-P energy: -105.281
tors. eta vs tors. theta energy: -166.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1796.303097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.303097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.303097 (E_RNA)
where:
Base-Base interactions energy: -1181.888
where: short stacking energy: -538.140
Base-Backbone interact. energy: -2.232
local terms energy: -612.182952
where:
bonds (distance) C4'-P energy: -117.501
bonds (distance) P-C4' energy: -125.155
flat angles C4'-P-C4' energy: -131.191
flat angles P-C4'-P energy: -96.132
tors. eta vs tors. theta energy: -142.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1733.904773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.904773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.904773 (E_RNA)
where:
Base-Base interactions energy: -1182.423
where: short stacking energy: -549.073
Base-Backbone interact. energy: -0.640
local terms energy: -550.841857
where:
bonds (distance) C4'-P energy: -102.537
bonds (distance) P-C4' energy: -105.795
flat angles C4'-P-C4' energy: -127.876
flat angles P-C4'-P energy: -73.899
tors. eta vs tors. theta energy: -140.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1380.329215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.329215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.329215 (E_RNA)
where:
Base-Base interactions energy: -854.523
where: short stacking energy: -397.434
Base-Backbone interact. energy: -0.946
local terms energy: -524.859907
where:
bonds (distance) C4'-P energy: -124.075
bonds (distance) P-C4' energy: -127.714
flat angles C4'-P-C4' energy: -122.072
flat angles P-C4'-P energy: -67.904
tors. eta vs tors. theta energy: -83.096
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: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1099.004683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.004683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.004683 (E_RNA)
where:
Base-Base interactions energy: -653.291
where: short stacking energy: -287.477
Base-Backbone interact. energy: 0.502
local terms energy: -446.215205
where:
bonds (distance) C4'-P energy: -111.394
bonds (distance) P-C4' energy: -114.996
flat angles C4'-P-C4' energy: -108.777
flat angles P-C4'-P energy: -77.786
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -882.661990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.661990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.661990 (E_RNA)
where:
Base-Base interactions energy: -473.768
where: short stacking energy: -245.132
Base-Backbone interact. energy: -2.839
local terms energy: -406.054733
where:
bonds (distance) C4'-P energy: -110.122
bonds (distance) P-C4' energy: -109.421
flat angles C4'-P-C4' energy: -121.988
flat angles P-C4'-P energy: -64.449
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2562.071338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.071338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.071338 (E_RNA)
where:
Base-Base interactions energy: -1766.426
where: short stacking energy: -772.580
Base-Backbone interact. energy: -4.200
local terms energy: -791.445490
where:
bonds (distance) C4'-P energy: -130.361
bonds (distance) P-C4' energy: -140.743
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -125.374
tors. eta vs tors. theta energy: -230.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2463.963173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.963173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.963173 (E_RNA)
where:
Base-Base interactions energy: -1703.846
where: short stacking energy: -745.930
Base-Backbone interact. energy: -1.598
local terms energy: -758.519516
where:
bonds (distance) C4'-P energy: -137.121
bonds (distance) P-C4' energy: -139.292
flat angles C4'-P-C4' energy: -153.741
flat angles P-C4'-P energy: -107.797
tors. eta vs tors. theta energy: -220.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2345.669441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.669441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.669441 (E_RNA)
where:
Base-Base interactions energy: -1606.672
where: short stacking energy: -701.266
Base-Backbone interact. energy: -1.977
local terms energy: -737.020595
where:
bonds (distance) C4'-P energy: -133.329
bonds (distance) P-C4' energy: -129.747
flat angles C4'-P-C4' energy: -162.022
flat angles P-C4'-P energy: -97.020
tors. eta vs tors. theta energy: -214.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2341.287807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.287807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.287807 (E_RNA)
where:
Base-Base interactions energy: -1635.397
where: short stacking energy: -675.519
Base-Backbone interact. energy: -1.653
local terms energy: -704.238135
where:
bonds (distance) C4'-P energy: -130.742
bonds (distance) P-C4' energy: -115.991
flat angles C4'-P-C4' energy: -162.868
flat angles P-C4'-P energy: -104.285
tors. eta vs tors. theta energy: -190.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2193.145326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.145326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.145326 (E_RNA)
where:
Base-Base interactions energy: -1537.917
where: short stacking energy: -639.615
Base-Backbone interact. energy: -2.063
local terms energy: -653.165726
where:
bonds (distance) C4'-P energy: -118.144
bonds (distance) P-C4' energy: -114.920
flat angles C4'-P-C4' energy: -132.250
flat angles P-C4'-P energy: -100.173
tors. eta vs tors. theta energy: -187.680
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1822.110228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.110228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.110228 (E_RNA)
where:
Base-Base interactions energy: -1223.380
where: short stacking energy: -563.288
Base-Backbone interact. energy: -4.637
local terms energy: -594.093149
where:
bonds (distance) C4'-P energy: -116.731
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -133.049
flat angles P-C4'-P energy: -89.511
tors. eta vs tors. theta energy: -145.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1767.605057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.605057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.605057 (E_RNA)
where:
Base-Base interactions energy: -1134.238
where: short stacking energy: -517.598
Base-Backbone interact. energy: 1.593
local terms energy: -634.959206
where:
bonds (distance) C4'-P energy: -132.465
bonds (distance) P-C4' energy: -136.792
flat angles C4'-P-C4' energy: -140.024
flat angles P-C4'-P energy: -88.405
tors. eta vs tors. theta energy: -137.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1322.648875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.648875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.648875 (E_RNA)
where:
Base-Base interactions energy: -832.156
where: short stacking energy: -385.027
Base-Backbone interact. energy: -4.845
local terms energy: -485.647640
where:
bonds (distance) C4'-P energy: -108.845
bonds (distance) P-C4' energy: -123.395
flat angles C4'-P-C4' energy: -127.551
flat angles P-C4'-P energy: -61.705
tors. eta vs tors. theta energy: -64.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1141.469586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.469586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.469586 (E_RNA)
where:
Base-Base interactions energy: -706.134
where: short stacking energy: -345.739
Base-Backbone interact. energy: -3.692
local terms energy: -431.643979
where:
bonds (distance) C4'-P energy: -101.180
bonds (distance) P-C4' energy: -106.693
flat angles C4'-P-C4' energy: -109.588
flat angles P-C4'-P energy: -67.109
tors. eta vs tors. theta energy: -47.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -836.288713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.288713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.288713 (E_RNA)
where:
Base-Base interactions energy: -456.086
where: short stacking energy: -235.571
Base-Backbone interact. energy: -4.492
local terms energy: -375.710300
where:
bonds (distance) C4'-P energy: -111.293
bonds (distance) P-C4' energy: -116.966
flat angles C4'-P-C4' energy: -101.282
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2590.320688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.320688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.320688 (E_RNA)
where:
Base-Base interactions energy: -1795.392
where: short stacking energy: -764.260
Base-Backbone interact. energy: -2.213
local terms energy: -792.715391
where:
bonds (distance) C4'-P energy: -132.443
bonds (distance) P-C4' energy: -145.604
flat angles C4'-P-C4' energy: -167.774
flat angles P-C4'-P energy: -115.510
tors. eta vs tors. theta energy: -231.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2440.850190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.850190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.850190 (E_RNA)
where:
Base-Base interactions energy: -1670.272
where: short stacking energy: -706.725
Base-Backbone interact. energy: -2.695
local terms energy: -767.883377
where:
bonds (distance) C4'-P energy: -138.354
bonds (distance) P-C4' energy: -138.158
flat angles C4'-P-C4' energy: -168.184
flat angles P-C4'-P energy: -107.854
tors. eta vs tors. theta energy: -215.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2371.696547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.696547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.696547 (E_RNA)
where:
Base-Base interactions energy: -1638.899
where: short stacking energy: -694.890
Base-Backbone interact. energy: -0.500
local terms energy: -732.298121
where:
bonds (distance) C4'-P energy: -136.897
bonds (distance) P-C4' energy: -134.983
flat angles C4'-P-C4' energy: -158.085
flat angles P-C4'-P energy: -109.405
tors. eta vs tors. theta energy: -192.928
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: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2323.425164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.425164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.425164 (E_RNA)
where:
Base-Base interactions energy: -1600.543
where: short stacking energy: -685.978
Base-Backbone interact. energy: -3.206
local terms energy: -719.676874
where:
bonds (distance) C4'-P energy: -130.350
bonds (distance) P-C4' energy: -134.604
flat angles C4'-P-C4' energy: -157.101
flat angles P-C4'-P energy: -93.276
tors. eta vs tors. theta energy: -204.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2215.689403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.689403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.689403 (E_RNA)
where:
Base-Base interactions energy: -1536.367
where: short stacking energy: -631.676
Base-Backbone interact. energy: 0.163
local terms energy: -679.485103
where:
bonds (distance) C4'-P energy: -112.497
bonds (distance) P-C4' energy: -140.939
flat angles C4'-P-C4' energy: -160.115
flat angles P-C4'-P energy: -94.749
tors. eta vs tors. theta energy: -171.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1796.059543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.059543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.059543 (E_RNA)
where:
Base-Base interactions energy: -1202.153
where: short stacking energy: -533.036
Base-Backbone interact. energy: -3.571
local terms energy: -590.335722
where:
bonds (distance) C4'-P energy: -106.335
bonds (distance) P-C4' energy: -119.773
flat angles C4'-P-C4' energy: -140.183
flat angles P-C4'-P energy: -90.552
tors. eta vs tors. theta energy: -133.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1797.563362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.563362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.563362 (E_RNA)
where:
Base-Base interactions energy: -1221.413
where: short stacking energy: -534.977
Base-Backbone interact. energy: -3.384
local terms energy: -572.766373
where:
bonds (distance) C4'-P energy: -104.553
bonds (distance) P-C4' energy: -118.099
flat angles C4'-P-C4' energy: -135.208
flat angles P-C4'-P energy: -80.786
tors. eta vs tors. theta energy: -134.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1310.526254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.526254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.526254 (E_RNA)
where:
Base-Base interactions energy: -792.728
where: short stacking energy: -383.364
Base-Backbone interact. energy: -1.491
local terms energy: -516.306714
where:
bonds (distance) C4'-P energy: -119.880
bonds (distance) P-C4' energy: -114.054
flat angles C4'-P-C4' energy: -132.815
flat angles P-C4'-P energy: -77.778
tors. eta vs tors. theta energy: -71.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1199.278710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.278710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.278710 (E_RNA)
where:
Base-Base interactions energy: -721.435
where: short stacking energy: -353.572
Base-Backbone interact. energy: 2.895
local terms energy: -480.739331
where:
bonds (distance) C4'-P energy: -116.640
bonds (distance) P-C4' energy: -117.156
flat angles C4'-P-C4' energy: -113.324
flat angles P-C4'-P energy: -76.806
tors. eta vs tors. theta energy: -56.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -848.990421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.990421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.990421 (E_RNA)
where:
Base-Base interactions energy: -435.099
where: short stacking energy: -231.144
Base-Backbone interact. energy: 4.391
local terms energy: -418.281752
where:
bonds (distance) C4'-P energy: -104.026
bonds (distance) P-C4' energy: -128.261
flat angles C4'-P-C4' energy: -103.282
flat angles P-C4'-P energy: -67.549
tors. eta vs tors. theta energy: -15.163
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: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2596.790675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.790675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.790675 (E_RNA)
where:
Base-Base interactions energy: -1792.856
where: short stacking energy: -797.551
Base-Backbone interact. energy: -3.393
local terms energy: -800.541736
where:
bonds (distance) C4'-P energy: -134.414
bonds (distance) P-C4' energy: -141.736
flat angles C4'-P-C4' energy: -173.139
flat angles P-C4'-P energy: -117.496
tors. eta vs tors. theta energy: -233.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2439.982704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.982704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.982704 (E_RNA)
where:
Base-Base interactions energy: -1713.731
where: short stacking energy: -749.830
Base-Backbone interact. energy: -1.681
local terms energy: -724.570137
where:
bonds (distance) C4'-P energy: -128.482
bonds (distance) P-C4' energy: -134.185
flat angles C4'-P-C4' energy: -154.464
flat angles P-C4'-P energy: -90.617
tors. eta vs tors. theta energy: -216.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2336.959879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.959879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.959879 (E_RNA)
where:
Base-Base interactions energy: -1616.143
where: short stacking energy: -697.058
Base-Backbone interact. energy: -1.942
local terms energy: -718.874807
where:
bonds (distance) C4'-P energy: -120.980
bonds (distance) P-C4' energy: -131.762
flat angles C4'-P-C4' energy: -159.422
flat angles P-C4'-P energy: -104.585
tors. eta vs tors. theta energy: -202.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2301.539061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.539061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.539061 (E_RNA)
where:
Base-Base interactions energy: -1608.626
where: short stacking energy: -650.227
Base-Backbone interact. energy: 0.186
local terms energy: -693.099597
where:
bonds (distance) C4'-P energy: -129.648
bonds (distance) P-C4' energy: -126.178
flat angles C4'-P-C4' energy: -143.724
flat angles P-C4'-P energy: -97.961
tors. eta vs tors. theta energy: -195.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2157.709420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.709420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.709420 (E_RNA)
where:
Base-Base interactions energy: -1520.180
where: short stacking energy: -651.918
Base-Backbone interact. energy: -0.276
local terms energy: -637.253576
where:
bonds (distance) C4'-P energy: -107.998
bonds (distance) P-C4' energy: -129.600
flat angles C4'-P-C4' energy: -144.952
flat angles P-C4'-P energy: -84.942
tors. eta vs tors. theta energy: -169.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1854.842682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.842682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.842682 (E_RNA)
where:
Base-Base interactions energy: -1255.210
where: short stacking energy: -558.160
Base-Backbone interact. energy: -2.446
local terms energy: -597.186871
where:
bonds (distance) C4'-P energy: -90.353
bonds (distance) P-C4' energy: -129.599
flat angles C4'-P-C4' energy: -125.551
flat angles P-C4'-P energy: -91.306
tors. eta vs tors. theta energy: -160.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1808.031146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.031146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.031146 (E_RNA)
where:
Base-Base interactions energy: -1205.126
where: short stacking energy: -553.103
Base-Backbone interact. energy: 1.073
local terms energy: -603.978052
where:
bonds (distance) C4'-P energy: -115.284
bonds (distance) P-C4' energy: -138.424
flat angles C4'-P-C4' energy: -120.538
flat angles P-C4'-P energy: -87.847
tors. eta vs tors. theta energy: -141.885
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: 301
Temperature: 1.250000
Total energy: -1345.042997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.042997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.042997 (E_RNA)
where:
Base-Base interactions energy: -845.135
where: short stacking energy: -379.729
Base-Backbone interact. energy: 2.711
local terms energy: -502.619517
where:
bonds (distance) C4'-P energy: -132.102
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -117.800
flat angles P-C4'-P energy: -70.013
tors. eta vs tors. theta energy: -74.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1156.044043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.044043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.044043 (E_RNA)
where:
Base-Base interactions energy: -691.292
where: short stacking energy: -339.508
Base-Backbone interact. energy: -2.072
local terms energy: -462.680611
where:
bonds (distance) C4'-P energy: -119.297
bonds (distance) P-C4' energy: -97.170
flat angles C4'-P-C4' energy: -123.257
flat angles P-C4'-P energy: -73.784
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -868.588664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.588664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.588664 (E_RNA)
where:
Base-Base interactions energy: -474.720
where: short stacking energy: -247.946
Base-Backbone interact. energy: 4.182
local terms energy: -398.051328
where:
bonds (distance) C4'-P energy: -95.105
bonds (distance) P-C4' energy: -106.019
flat angles C4'-P-C4' energy: -123.633
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -11.309
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: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2616.542193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.542193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.542193 (E_RNA)
where:
Base-Base interactions energy: -1823.886
where: short stacking energy: -795.471
Base-Backbone interact. energy: -4.123
local terms energy: -788.533820
where:
bonds (distance) C4'-P energy: -142.320
bonds (distance) P-C4' energy: -149.029
flat angles C4'-P-C4' energy: -156.755
flat angles P-C4'-P energy: -105.572
tors. eta vs tors. theta energy: -234.858
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: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2439.316073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.316073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.316073 (E_RNA)
where:
Base-Base interactions energy: -1673.316
where: short stacking energy: -708.620
Base-Backbone interact. energy: -1.288
local terms energy: -764.712850
where:
bonds (distance) C4'-P energy: -140.640
bonds (distance) P-C4' energy: -141.637
flat angles C4'-P-C4' energy: -166.854
flat angles P-C4'-P energy: -99.902
tors. eta vs tors. theta energy: -215.680
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: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2350.762614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.762614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.762614 (E_RNA)
where:
Base-Base interactions energy: -1629.637
where: short stacking energy: -672.343
Base-Backbone interact. energy: -2.461
local terms energy: -718.664825
where:
bonds (distance) C4'-P energy: -144.543
bonds (distance) P-C4' energy: -128.449
flat angles C4'-P-C4' energy: -148.018
flat angles P-C4'-P energy: -100.584
tors. eta vs tors. theta energy: -197.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2274.755349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.755349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.755349 (E_RNA)
where:
Base-Base interactions energy: -1581.135
where: short stacking energy: -686.643
Base-Backbone interact. energy: -0.751
local terms energy: -692.869488
where:
bonds (distance) C4'-P energy: -107.042
bonds (distance) P-C4' energy: -120.162
flat angles C4'-P-C4' energy: -161.405
flat angles P-C4'-P energy: -98.167
tors. eta vs tors. theta energy: -206.093
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: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2178.449085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.449085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.449085 (E_RNA)
where:
Base-Base interactions energy: -1522.992
where: short stacking energy: -624.589
Base-Backbone interact. energy: 1.202
local terms energy: -656.658767
where:
bonds (distance) C4'-P energy: -132.513
bonds (distance) P-C4' energy: -129.793
flat angles C4'-P-C4' energy: -138.787
flat angles P-C4'-P energy: -93.896
tors. eta vs tors. theta energy: -161.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1841.734241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.734241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.734241 (E_RNA)
where:
Base-Base interactions energy: -1236.115
where: short stacking energy: -554.479
Base-Backbone interact. energy: -1.732
local terms energy: -603.886869
where:
bonds (distance) C4'-P energy: -133.215
bonds (distance) P-C4' energy: -126.413
flat angles C4'-P-C4' energy: -120.905
flat angles P-C4'-P energy: -77.894
tors. eta vs tors. theta energy: -145.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1775.722043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.722043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.722043 (E_RNA)
where:
Base-Base interactions energy: -1180.420
where: short stacking energy: -533.234
Base-Backbone interact. energy: 3.029
local terms energy: -598.331464
where:
bonds (distance) C4'-P energy: -101.638
bonds (distance) P-C4' energy: -146.004
flat angles C4'-P-C4' energy: -134.655
flat angles P-C4'-P energy: -74.348
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: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1338.233109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.233109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.233109 (E_RNA)
where:
Base-Base interactions energy: -826.561
where: short stacking energy: -404.802
Base-Backbone interact. energy: -0.939
local terms energy: -510.732439
where:
bonds (distance) C4'-P energy: -132.670
bonds (distance) P-C4' energy: -92.936
flat angles C4'-P-C4' energy: -127.842
flat angles P-C4'-P energy: -85.154
tors. eta vs tors. theta energy: -72.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1167.337245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.337245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.337245 (E_RNA)
where:
Base-Base interactions energy: -676.922
where: short stacking energy: -341.552
Base-Backbone interact. energy: -0.974
local terms energy: -489.441450
where:
bonds (distance) C4'-P energy: -131.454
bonds (distance) P-C4' energy: -113.264
flat angles C4'-P-C4' energy: -126.133
flat angles P-C4'-P energy: -72.904
tors. eta vs tors. theta energy: -45.685
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: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -883.074887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.074887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.074887 (E_RNA)
where:
Base-Base interactions energy: -478.825
where: short stacking energy: -256.615
Base-Backbone interact. energy: -0.505
local terms energy: -403.745230
where:
bonds (distance) C4'-P energy: -92.493
bonds (distance) P-C4' energy: -126.898
flat angles C4'-P-C4' energy: -119.212
flat angles P-C4'-P energy: -56.067
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: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2593.298310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.298310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.298310 (E_RNA)
where:
Base-Base interactions energy: -1781.733
where: short stacking energy: -776.502
Base-Backbone interact. energy: -0.899
local terms energy: -810.666270
where:
bonds (distance) C4'-P energy: -130.614
bonds (distance) P-C4' energy: -152.538
flat angles C4'-P-C4' energy: -156.693
flat angles P-C4'-P energy: -123.609
tors. eta vs tors. theta energy: -247.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2455.756010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.756010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.756010 (E_RNA)
where:
Base-Base interactions energy: -1706.451
where: short stacking energy: -720.319
Base-Backbone interact. energy: -2.141
local terms energy: -747.163381
where:
bonds (distance) C4'-P energy: -135.911
bonds (distance) P-C4' energy: -131.785
flat angles C4'-P-C4' energy: -166.700
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -212.413
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2354.553739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.553739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.553739 (E_RNA)
where:
Base-Base interactions energy: -1638.805
where: short stacking energy: -701.001
Base-Backbone interact. energy: -3.256
local terms energy: -712.492691
where:
bonds (distance) C4'-P energy: -130.524
bonds (distance) P-C4' energy: -138.250
flat angles C4'-P-C4' energy: -156.838
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -197.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2274.093384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.093384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.093384 (E_RNA)
where:
Base-Base interactions energy: -1567.507
where: short stacking energy: -666.985
Base-Backbone interact. energy: -3.089
local terms energy: -703.497906
where:
bonds (distance) C4'-P energy: -135.138
bonds (distance) P-C4' energy: -121.340
flat angles C4'-P-C4' energy: -156.874
flat angles P-C4'-P energy: -101.470
tors. eta vs tors. theta energy: -188.675
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: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2175.623747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.623747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.623747 (E_RNA)
where:
Base-Base interactions energy: -1485.977
where: short stacking energy: -634.364
Base-Backbone interact. energy: -0.823
local terms energy: -688.823671
where:
bonds (distance) C4'-P energy: -123.273
bonds (distance) P-C4' energy: -139.685
flat angles C4'-P-C4' energy: -156.751
flat angles P-C4'-P energy: -100.015
tors. eta vs tors. theta energy: -169.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1860.897515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.897515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.897515 (E_RNA)
where:
Base-Base interactions energy: -1262.765
where: short stacking energy: -558.371
Base-Backbone interact. energy: -2.810
local terms energy: -595.322393
where:
bonds (distance) C4'-P energy: -120.990
bonds (distance) P-C4' energy: -105.624
flat angles C4'-P-C4' energy: -136.022
flat angles P-C4'-P energy: -80.696
tors. eta vs tors. theta energy: -151.990
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: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1762.357671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.357671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.357671 (E_RNA)
where:
Base-Base interactions energy: -1172.322
where: short stacking energy: -539.034
Base-Backbone interact. energy: -2.359
local terms energy: -587.676532
where:
bonds (distance) C4'-P energy: -121.701
bonds (distance) P-C4' energy: -117.333
flat angles C4'-P-C4' energy: -137.872
flat angles P-C4'-P energy: -67.336
tors. eta vs tors. theta energy: -143.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1371.423326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.423326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.423326 (E_RNA)
where:
Base-Base interactions energy: -888.336
where: short stacking energy: -435.206
Base-Backbone interact. energy: 1.139
local terms energy: -484.226172
where:
bonds (distance) C4'-P energy: -120.259
bonds (distance) P-C4' energy: -112.210
flat angles C4'-P-C4' energy: -100.412
flat angles P-C4'-P energy: -74.232
tors. eta vs tors. theta energy: -77.114
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: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1204.171937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.171937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.171937 (E_RNA)
where:
Base-Base interactions energy: -732.084
where: short stacking energy: -368.892
Base-Backbone interact. energy: -0.698
local terms energy: -471.389913
where:
bonds (distance) C4'-P energy: -107.522
bonds (distance) P-C4' energy: -104.917
flat angles C4'-P-C4' energy: -126.367
flat angles P-C4'-P energy: -70.195
tors. eta vs tors. theta energy: -62.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -868.233657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.233657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.233657 (E_RNA)
where:
Base-Base interactions energy: -466.907
where: short stacking energy: -224.085
Base-Backbone interact. energy: 0.398
local terms energy: -401.723859
where:
bonds (distance) C4'-P energy: -132.518
bonds (distance) P-C4' energy: -113.345
flat angles C4'-P-C4' energy: -95.742
flat angles P-C4'-P energy: -62.255
tors. eta vs tors. theta energy: 2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2583.153835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.153835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.153835 (E_RNA)
where:
Base-Base interactions energy: -1756.630
where: short stacking energy: -767.383
Base-Backbone interact. energy: -2.385
local terms energy: -824.138886
where:
bonds (distance) C4'-P energy: -148.282
bonds (distance) P-C4' energy: -149.708
flat angles C4'-P-C4' energy: -176.875
flat angles P-C4'-P energy: -108.317
tors. eta vs tors. theta energy: -240.957
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: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2406.763916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.763916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.763916 (E_RNA)
where:
Base-Base interactions energy: -1678.703
where: short stacking energy: -703.331
Base-Backbone interact. energy: -2.907
local terms energy: -725.153906
where:
bonds (distance) C4'-P energy: -128.163
bonds (distance) P-C4' energy: -136.094
flat angles C4'-P-C4' energy: -151.476
flat angles P-C4'-P energy: -104.301
tors. eta vs tors. theta energy: -205.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2354.738444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.738444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.738444 (E_RNA)
where:
Base-Base interactions energy: -1631.620
where: short stacking energy: -710.195
Base-Backbone interact. energy: -0.326
local terms energy: -722.792524
where:
bonds (distance) C4'-P energy: -121.317
bonds (distance) P-C4' energy: -137.353
flat angles C4'-P-C4' energy: -157.387
flat angles P-C4'-P energy: -104.026
tors. eta vs tors. theta energy: -202.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2255.478663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.478663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.478663 (E_RNA)
where:
Base-Base interactions energy: -1549.472
where: short stacking energy: -668.106
Base-Backbone interact. energy: -3.331
local terms energy: -702.675490
where:
bonds (distance) C4'-P energy: -126.953
bonds (distance) P-C4' energy: -126.011
flat angles C4'-P-C4' energy: -151.295
flat angles P-C4'-P energy: -103.716
tors. eta vs tors. theta energy: -194.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2158.323583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.323583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.323583 (E_RNA)
where:
Base-Base interactions energy: -1523.167
where: short stacking energy: -622.895
Base-Backbone interact. energy: 3.399
local terms energy: -638.555442
where:
bonds (distance) C4'-P energy: -109.262
bonds (distance) P-C4' energy: -137.672
flat angles C4'-P-C4' energy: -144.176
flat angles P-C4'-P energy: -80.639
tors. eta vs tors. theta energy: -166.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1883.773139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.773139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.773139 (E_RNA)
where:
Base-Base interactions energy: -1244.730
where: short stacking energy: -549.329
Base-Backbone interact. energy: -3.437
local terms energy: -635.606197
where:
bonds (distance) C4'-P energy: -124.016
bonds (distance) P-C4' energy: -128.301
flat angles C4'-P-C4' energy: -134.286
flat angles P-C4'-P energy: -92.138
tors. eta vs tors. theta energy: -156.865
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: 304
Temperature: 1.200000
Total energy: -1713.513629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.513629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.513629 (E_RNA)
where:
Base-Base interactions energy: -1139.020
where: short stacking energy: -488.902
Base-Backbone interact. energy: -1.322
local terms energy: -573.171857
where:
bonds (distance) C4'-P energy: -114.205
bonds (distance) P-C4' energy: -110.645
flat angles C4'-P-C4' energy: -137.508
flat angles P-C4'-P energy: -87.186
tors. eta vs tors. theta energy: -123.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1409.579413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.579413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.579413 (E_RNA)
where:
Base-Base interactions energy: -860.500
where: short stacking energy: -420.306
Base-Backbone interact. energy: -2.826
local terms energy: -546.253656
where:
bonds (distance) C4'-P energy: -128.275
bonds (distance) P-C4' energy: -135.056
flat angles C4'-P-C4' energy: -115.214
flat angles P-C4'-P energy: -79.993
tors. eta vs tors. theta energy: -87.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1139.564614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.564614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.564614 (E_RNA)
where:
Base-Base interactions energy: -725.363
where: short stacking energy: -336.932
Base-Backbone interact. energy: 4.010
local terms energy: -418.211075
where:
bonds (distance) C4'-P energy: -104.451
bonds (distance) P-C4' energy: -112.375
flat angles C4'-P-C4' energy: -100.899
flat angles P-C4'-P energy: -58.859
tors. eta vs tors. theta energy: -41.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -828.936112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.936112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.936112 (E_RNA)
where:
Base-Base interactions energy: -427.841
where: short stacking energy: -215.056
Base-Backbone interact. energy: -2.256
local terms energy: -398.839203
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -116.442
flat angles C4'-P-C4' energy: -107.557
flat angles P-C4'-P energy: -56.904
tors. eta vs tors. theta energy: -3.501
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: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2610.144888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.144888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.144888 (E_RNA)
where:
Base-Base interactions energy: -1808.727
where: short stacking energy: -789.099
Base-Backbone interact. energy: -2.704
local terms energy: -798.714002
where:
bonds (distance) C4'-P energy: -134.189
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -171.652
flat angles P-C4'-P energy: -110.779
tors. eta vs tors. theta energy: -240.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2416.062899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.062899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.062899 (E_RNA)
where:
Base-Base interactions energy: -1679.297
where: short stacking energy: -708.283
Base-Backbone interact. energy: -1.440
local terms energy: -735.325770
where:
bonds (distance) C4'-P energy: -133.668
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -151.689
flat angles P-C4'-P energy: -105.266
tors. eta vs tors. theta energy: -205.479
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: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2356.592279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.592279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.592279 (E_RNA)
where:
Base-Base interactions energy: -1637.529
where: short stacking energy: -700.109
Base-Backbone interact. energy: 5.486
local terms energy: -724.549097
where:
bonds (distance) C4'-P energy: -136.545
bonds (distance) P-C4' energy: -140.420
flat angles C4'-P-C4' energy: -151.671
flat angles P-C4'-P energy: -97.603
tors. eta vs tors. theta energy: -198.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2286.974761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.974761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.974761 (E_RNA)
where:
Base-Base interactions energy: -1565.775
where: short stacking energy: -687.135
Base-Backbone interact. energy: -1.051
local terms energy: -720.148581
where:
bonds (distance) C4'-P energy: -112.541
bonds (distance) P-C4' energy: -144.976
flat angles C4'-P-C4' energy: -161.229
flat angles P-C4'-P energy: -97.691
tors. eta vs tors. theta energy: -203.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2190.640309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.640309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.640309 (E_RNA)
where:
Base-Base interactions energy: -1532.038
where: short stacking energy: -603.199
Base-Backbone interact. energy: -0.296
local terms energy: -658.306087
where:
bonds (distance) C4'-P energy: -128.040
bonds (distance) P-C4' energy: -143.945
flat angles C4'-P-C4' energy: -130.982
flat angles P-C4'-P energy: -73.528
tors. eta vs tors. theta energy: -181.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1866.863722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.863722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.863722 (E_RNA)
where:
Base-Base interactions energy: -1221.233
where: short stacking energy: -551.931
Base-Backbone interact. energy: -0.330
local terms energy: -645.301134
where:
bonds (distance) C4'-P energy: -125.245
bonds (distance) P-C4' energy: -123.245
flat angles C4'-P-C4' energy: -155.971
flat angles P-C4'-P energy: -90.101
tors. eta vs tors. theta energy: -150.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1644.244047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.244047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.244047 (E_RNA)
where:
Base-Base interactions energy: -1081.464
where: short stacking energy: -459.715
Base-Backbone interact. energy: -2.204
local terms energy: -560.576266
where:
bonds (distance) C4'-P energy: -114.013
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -145.167
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -106.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1351.157710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.157710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.157710 (E_RNA)
where:
Base-Base interactions energy: -862.656
where: short stacking energy: -400.926
Base-Backbone interact. energy: -1.639
local terms energy: -486.861807
where:
bonds (distance) C4'-P energy: -111.141
bonds (distance) P-C4' energy: -121.528
flat angles C4'-P-C4' energy: -119.267
flat angles P-C4'-P energy: -74.969
tors. eta vs tors. theta energy: -59.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1105.478001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.478001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.478001 (E_RNA)
where:
Base-Base interactions energy: -632.892
where: short stacking energy: -318.868
Base-Backbone interact. energy: -1.898
local terms energy: -470.687878
where:
bonds (distance) C4'-P energy: -121.906
bonds (distance) P-C4' energy: -106.926
flat angles C4'-P-C4' energy: -114.166
flat angles P-C4'-P energy: -80.520
tors. eta vs tors. theta energy: -47.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -846.304770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.304770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.304770 (E_RNA)
where:
Base-Base interactions energy: -472.137
where: short stacking energy: -260.340
Base-Backbone interact. energy: 2.007
local terms energy: -376.174399
where:
bonds (distance) C4'-P energy: -94.599
bonds (distance) P-C4' energy: -121.166
flat angles C4'-P-C4' energy: -97.221
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -6.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2595.345539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.345539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.345539 (E_RNA)
where:
Base-Base interactions energy: -1792.125
where: short stacking energy: -742.296
Base-Backbone interact. energy: -1.284
local terms energy: -801.937049
where:
bonds (distance) C4'-P energy: -133.339
bonds (distance) P-C4' energy: -155.045
flat angles C4'-P-C4' energy: -167.574
flat angles P-C4'-P energy: -111.058
tors. eta vs tors. theta energy: -234.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2399.668725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.668725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.668725 (E_RNA)
where:
Base-Base interactions energy: -1666.994
where: short stacking energy: -715.690
Base-Backbone interact. energy: -1.982
local terms energy: -730.692766
where:
bonds (distance) C4'-P energy: -139.734
bonds (distance) P-C4' energy: -129.667
flat angles C4'-P-C4' energy: -151.508
flat angles P-C4'-P energy: -113.631
tors. eta vs tors. theta energy: -196.152
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: 3, replica: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2363.702582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.702582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.702582 (E_RNA)
where:
Base-Base interactions energy: -1618.218
where: short stacking energy: -706.346
Base-Backbone interact. energy: -2.225
local terms energy: -743.259422
where:
bonds (distance) C4'-P energy: -134.267
bonds (distance) P-C4' energy: -137.959
flat angles C4'-P-C4' energy: -163.545
flat angles P-C4'-P energy: -95.675
tors. eta vs tors. theta energy: -211.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2277.928464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.928464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.928464 (E_RNA)
where:
Base-Base interactions energy: -1547.110
where: short stacking energy: -680.129
Base-Backbone interact. energy: 1.284
local terms energy: -732.102482
where:
bonds (distance) C4'-P energy: -129.822
bonds (distance) P-C4' energy: -150.468
flat angles C4'-P-C4' energy: -160.903
flat angles P-C4'-P energy: -95.357
tors. eta vs tors. theta energy: -195.553
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2127.018244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.018244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.018244 (E_RNA)
where:
Base-Base interactions energy: -1453.017
where: short stacking energy: -581.300
Base-Backbone interact. energy: 0.496
local terms energy: -674.497589
where:
bonds (distance) C4'-P energy: -123.521
bonds (distance) P-C4' energy: -128.837
flat angles C4'-P-C4' energy: -151.082
flat angles P-C4'-P energy: -107.868
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: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1827.214343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.214343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.214343 (E_RNA)
where:
Base-Base interactions energy: -1213.640
where: short stacking energy: -549.684
Base-Backbone interact. energy: -2.708
local terms energy: -610.866147
where:
bonds (distance) C4'-P energy: -120.966
bonds (distance) P-C4' energy: -118.285
flat angles C4'-P-C4' energy: -149.032
flat angles P-C4'-P energy: -66.848
tors. eta vs tors. theta energy: -155.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1695.283897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.283897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.283897 (E_RNA)
where:
Base-Base interactions energy: -1104.696
where: short stacking energy: -486.647
Base-Backbone interact. energy: -1.174
local terms energy: -589.413724
where:
bonds (distance) C4'-P energy: -128.407
bonds (distance) P-C4' energy: -104.976
flat angles C4'-P-C4' energy: -142.076
flat angles P-C4'-P energy: -78.699
tors. eta vs tors. theta energy: -135.256
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: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1386.365620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.365620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.365620 (E_RNA)
where:
Base-Base interactions energy: -873.814
where: short stacking energy: -386.156
Base-Backbone interact. energy: -2.525
local terms energy: -510.025897
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -133.308
flat angles C4'-P-C4' energy: -114.253
flat angles P-C4'-P energy: -80.631
tors. eta vs tors. theta energy: -77.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1135.036011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.036011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.036011 (E_RNA)
where:
Base-Base interactions energy: -656.521
where: short stacking energy: -336.936
Base-Backbone interact. energy: 0.331
local terms energy: -478.845641
where:
bonds (distance) C4'-P energy: -118.034
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -121.137
flat angles P-C4'-P energy: -71.495
tors. eta vs tors. theta energy: -47.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -829.913232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.913232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.913232 (E_RNA)
where:
Base-Base interactions energy: -454.807
where: short stacking energy: -256.067
Base-Backbone interact. energy: -1.691
local terms energy: -373.415832
where:
bonds (distance) C4'-P energy: -98.867
bonds (distance) P-C4' energy: -109.582
flat angles C4'-P-C4' energy: -100.062
flat angles P-C4'-P energy: -59.542
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2584.307850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.307850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.307850 (E_RNA)
where:
Base-Base interactions energy: -1780.346
where: short stacking energy: -814.764
Base-Backbone interact. energy: -2.694
local terms energy: -801.267025
where:
bonds (distance) C4'-P energy: -145.015
bonds (distance) P-C4' energy: -140.030
flat angles C4'-P-C4' energy: -166.315
flat angles P-C4'-P energy: -108.821
tors. eta vs tors. theta energy: -241.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2440.903085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.903085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.903085 (E_RNA)
where:
Base-Base interactions energy: -1680.783
where: short stacking energy: -717.186
Base-Backbone interact. energy: -1.124
local terms energy: -758.996161
where:
bonds (distance) C4'-P energy: -142.760
bonds (distance) P-C4' energy: -147.195
flat angles C4'-P-C4' energy: -156.065
flat angles P-C4'-P energy: -103.435
tors. eta vs tors. theta energy: -209.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2354.010856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.010856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.010856 (E_RNA)
where:
Base-Base interactions energy: -1619.679
where: short stacking energy: -724.533
Base-Backbone interact. energy: -2.105
local terms energy: -732.226284
where:
bonds (distance) C4'-P energy: -134.699
bonds (distance) P-C4' energy: -140.683
flat angles C4'-P-C4' energy: -149.437
flat angles P-C4'-P energy: -106.871
tors. eta vs tors. theta energy: -200.538
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: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2259.195111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.195111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.195111 (E_RNA)
where:
Base-Base interactions energy: -1562.036
where: short stacking energy: -695.998
Base-Backbone interact. energy: 1.776
local terms energy: -698.934628
where:
bonds (distance) C4'-P energy: -136.763
bonds (distance) P-C4' energy: -130.413
flat angles C4'-P-C4' energy: -145.247
flat angles P-C4'-P energy: -86.933
tors. eta vs tors. theta energy: -199.579
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: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2156.380534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.380534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.380534 (E_RNA)
where:
Base-Base interactions energy: -1505.355
where: short stacking energy: -594.405
Base-Backbone interact. energy: -0.489
local terms energy: -650.536872
where:
bonds (distance) C4'-P energy: -124.615
bonds (distance) P-C4' energy: -129.373
flat angles C4'-P-C4' energy: -150.703
flat angles P-C4'-P energy: -79.135
tors. eta vs tors. theta energy: -166.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1927.313571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.313571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.313571 (E_RNA)
where:
Base-Base interactions energy: -1278.084
where: short stacking energy: -584.399
Base-Backbone interact. energy: -0.606
local terms energy: -648.622721
where:
bonds (distance) C4'-P energy: -129.953
bonds (distance) P-C4' energy: -133.198
flat angles C4'-P-C4' energy: -138.552
flat angles P-C4'-P energy: -91.140
tors. eta vs tors. theta energy: -155.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1706.266779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.266779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.266779 (E_RNA)
where:
Base-Base interactions energy: -1115.023
where: short stacking energy: -521.737
Base-Backbone interact. energy: 0.316
local terms energy: -591.559580
where:
bonds (distance) C4'-P energy: -118.485
bonds (distance) P-C4' energy: -109.858
flat angles C4'-P-C4' energy: -136.295
flat angles P-C4'-P energy: -89.399
tors. eta vs tors. theta energy: -137.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1298.874122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.874122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.874122 (E_RNA)
where:
Base-Base interactions energy: -801.808
where: short stacking energy: -381.346
Base-Backbone interact. energy: 2.577
local terms energy: -499.642911
where:
bonds (distance) C4'-P energy: -137.901
bonds (distance) P-C4' energy: -117.593
flat angles C4'-P-C4' energy: -104.117
flat angles P-C4'-P energy: -69.326
tors. eta vs tors. theta energy: -70.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1172.889786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.889786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.889786 (E_RNA)
where:
Base-Base interactions energy: -737.196
where: short stacking energy: -372.753
Base-Backbone interact. energy: 1.420
local terms energy: -437.114139
where:
bonds (distance) C4'-P energy: -97.793
bonds (distance) P-C4' energy: -126.138
flat angles C4'-P-C4' energy: -102.592
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -71.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -870.558235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.558235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.558235 (E_RNA)
where:
Base-Base interactions energy: -447.793
where: short stacking energy: -242.364
Base-Backbone interact. energy: 5.064
local terms energy: -427.828620
where:
bonds (distance) C4'-P energy: -116.096
bonds (distance) P-C4' energy: -125.780
flat angles C4'-P-C4' energy: -94.999
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -24.850
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: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2596.449818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.449818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.449818 (E_RNA)
where:
Base-Base interactions energy: -1794.300
where: short stacking energy: -811.279
Base-Backbone interact. energy: -1.113
local terms energy: -801.036198
where:
bonds (distance) C4'-P energy: -138.523
bonds (distance) P-C4' energy: -133.493
flat angles C4'-P-C4' energy: -175.829
flat angles P-C4'-P energy: -111.845
tors. eta vs tors. theta energy: -241.347
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: 308
Temperature: 0.950000
Total energy: -2432.704508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.704508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.704508 (E_RNA)
where:
Base-Base interactions energy: -1683.223
where: short stacking energy: -716.693
Base-Backbone interact. energy: -2.554
local terms energy: -746.926912
where:
bonds (distance) C4'-P energy: -130.633
bonds (distance) P-C4' energy: -129.738
flat angles C4'-P-C4' energy: -169.573
flat angles P-C4'-P energy: -106.291
tors. eta vs tors. theta energy: -210.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2359.946296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.946296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.946296 (E_RNA)
where:
Base-Base interactions energy: -1617.250
where: short stacking energy: -714.685
Base-Backbone interact. energy: -3.223
local terms energy: -739.472353
where:
bonds (distance) C4'-P energy: -133.130
bonds (distance) P-C4' energy: -135.784
flat angles C4'-P-C4' energy: -159.239
flat angles P-C4'-P energy: -105.099
tors. eta vs tors. theta energy: -206.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2253.258260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.258260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.258260 (E_RNA)
where:
Base-Base interactions energy: -1536.969
where: short stacking energy: -682.426
Base-Backbone interact. energy: -1.936
local terms energy: -714.353666
where:
bonds (distance) C4'-P energy: -138.286
bonds (distance) P-C4' energy: -128.757
flat angles C4'-P-C4' energy: -146.625
flat angles P-C4'-P energy: -100.264
tors. eta vs tors. theta energy: -200.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2136.948113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.948113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.948113 (E_RNA)
where:
Base-Base interactions energy: -1490.069
where: short stacking energy: -609.988
Base-Backbone interact. energy: -2.660
local terms energy: -644.218983
where:
bonds (distance) C4'-P energy: -113.485
bonds (distance) P-C4' energy: -118.131
flat angles C4'-P-C4' energy: -150.312
flat angles P-C4'-P energy: -91.727
tors. eta vs tors. theta energy: -170.564
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: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1917.602507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.602507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.602507 (E_RNA)
where:
Base-Base interactions energy: -1284.335
where: short stacking energy: -572.036
Base-Backbone interact. energy: 0.733
local terms energy: -634.000776
where:
bonds (distance) C4'-P energy: -122.677
bonds (distance) P-C4' energy: -102.115
flat angles C4'-P-C4' energy: -146.594
flat angles P-C4'-P energy: -94.796
tors. eta vs tors. theta energy: -167.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1670.584369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.584369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.584369 (E_RNA)
where:
Base-Base interactions energy: -1084.982
where: short stacking energy: -486.642
Base-Backbone interact. energy: 3.164
local terms energy: -588.766013
where:
bonds (distance) C4'-P energy: -115.428
bonds (distance) P-C4' energy: -150.384
flat angles C4'-P-C4' energy: -122.346
flat angles P-C4'-P energy: -71.957
tors. eta vs tors. theta energy: -128.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1259.933299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.933299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.933299 (E_RNA)
where:
Base-Base interactions energy: -765.234
where: short stacking energy: -331.606
Base-Backbone interact. energy: -1.644
local terms energy: -493.055837
where:
bonds (distance) C4'-P energy: -117.228
bonds (distance) P-C4' energy: -118.606
flat angles C4'-P-C4' energy: -122.677
flat angles P-C4'-P energy: -82.410
tors. eta vs tors. theta energy: -52.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1265.861042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.861042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.861042 (E_RNA)
where:
Base-Base interactions energy: -789.654
where: short stacking energy: -368.827
Base-Backbone interact. energy: -0.878
local terms energy: -475.328506
where:
bonds (distance) C4'-P energy: -100.215
bonds (distance) P-C4' energy: -111.501
flat angles C4'-P-C4' energy: -130.952
flat angles P-C4'-P energy: -67.603
tors. eta vs tors. theta energy: -65.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -865.470595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.470595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.470595 (E_RNA)
where:
Base-Base interactions energy: -462.405
where: short stacking energy: -239.216
Base-Backbone interact. energy: 1.550
local terms energy: -404.615148
where:
bonds (distance) C4'-P energy: -100.396
bonds (distance) P-C4' energy: -112.530
flat angles C4'-P-C4' energy: -100.059
flat angles P-C4'-P energy: -65.565
tors. eta vs tors. theta energy: -26.064
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: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2592.409796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.409796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.409796 (E_RNA)
where:
Base-Base interactions energy: -1788.420
where: short stacking energy: -787.902
Base-Backbone interact. energy: -2.504
local terms energy: -801.485076
where:
bonds (distance) C4'-P energy: -129.743
bonds (distance) P-C4' energy: -143.058
flat angles C4'-P-C4' energy: -171.569
flat angles P-C4'-P energy: -117.741
tors. eta vs tors. theta energy: -239.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2428.106884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.106884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.106884 (E_RNA)
where:
Base-Base interactions energy: -1661.396
where: short stacking energy: -708.465
Base-Backbone interact. energy: -1.770
local terms energy: -764.939981
where:
bonds (distance) C4'-P energy: -129.313
bonds (distance) P-C4' energy: -147.381
flat angles C4'-P-C4' energy: -167.082
flat angles P-C4'-P energy: -108.680
tors. eta vs tors. theta energy: -212.484
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: 309
Temperature: 1.000000
Total energy: -2395.321676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.321676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.321676 (E_RNA)
where:
Base-Base interactions energy: -1672.330
where: short stacking energy: -705.877
Base-Backbone interact. energy: -2.963
local terms energy: -720.028987
where:
bonds (distance) C4'-P energy: -127.264
bonds (distance) P-C4' energy: -131.518
flat angles C4'-P-C4' energy: -156.329
flat angles P-C4'-P energy: -103.782
tors. eta vs tors. theta energy: -201.137
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2260.770783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.770783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.770783 (E_RNA)
where:
Base-Base interactions energy: -1567.977
where: short stacking energy: -641.537
Base-Backbone interact. energy: -4.756
local terms energy: -688.037967
where:
bonds (distance) C4'-P energy: -134.870
bonds (distance) P-C4' energy: -127.419
flat angles C4'-P-C4' energy: -146.249
flat angles P-C4'-P energy: -91.529
tors. eta vs tors. theta energy: -187.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2154.121234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.121234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.121234 (E_RNA)
where:
Base-Base interactions energy: -1489.488
where: short stacking energy: -639.864
Base-Backbone interact. energy: 2.571
local terms energy: -667.204484
where:
bonds (distance) C4'-P energy: -118.889
bonds (distance) P-C4' energy: -143.401
flat angles C4'-P-C4' energy: -145.112
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -178.493
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: 309
Temperature: 1.150000
Total energy: -1861.756682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.756682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.756682 (E_RNA)
where:
Base-Base interactions energy: -1268.787
where: short stacking energy: -549.858
Base-Backbone interact. energy: -1.764
local terms energy: -591.206265
where:
bonds (distance) C4'-P energy: -98.745
bonds (distance) P-C4' energy: -116.404
flat angles C4'-P-C4' energy: -136.653
flat angles P-C4'-P energy: -89.046
tors. eta vs tors. theta energy: -150.359
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: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1703.036348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.036348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.036348 (E_RNA)
where:
Base-Base interactions energy: -1102.471
where: short stacking energy: -490.302
Base-Backbone interact. energy: 4.544
local terms energy: -605.109195
where:
bonds (distance) C4'-P energy: -121.452
bonds (distance) P-C4' energy: -136.715
flat angles C4'-P-C4' energy: -139.970
flat angles P-C4'-P energy: -92.486
tors. eta vs tors. theta energy: -114.487
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: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1360.654213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.654213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.654213 (E_RNA)
where:
Base-Base interactions energy: -872.512
where: short stacking energy: -390.883
Base-Backbone interact. energy: -1.279
local terms energy: -486.863408
where:
bonds (distance) C4'-P energy: -117.473
bonds (distance) P-C4' energy: -135.937
flat angles C4'-P-C4' energy: -114.671
flat angles P-C4'-P energy: -56.241
tors. eta vs tors. theta energy: -62.542
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: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1245.857410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.857410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.857410 (E_RNA)
where:
Base-Base interactions energy: -757.980
where: short stacking energy: -376.996
Base-Backbone interact. energy: 1.827
local terms energy: -489.704252
where:
bonds (distance) C4'-P energy: -132.870
bonds (distance) P-C4' energy: -106.277
flat angles C4'-P-C4' energy: -134.428
flat angles P-C4'-P energy: -59.382
tors. eta vs tors. theta energy: -56.747
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: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -869.269584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.269584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.269584 (E_RNA)
where:
Base-Base interactions energy: -479.772
where: short stacking energy: -245.058
Base-Backbone interact. energy: 0.229
local terms energy: -389.726894
where:
bonds (distance) C4'-P energy: -100.913
bonds (distance) P-C4' energy: -121.600
flat angles C4'-P-C4' energy: -99.970
flat angles P-C4'-P energy: -56.406
tors. eta vs tors. theta energy: -10.837
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: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2582.849106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.849106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.849106 (E_RNA)
where:
Base-Base interactions energy: -1802.184
where: short stacking energy: -788.356
Base-Backbone interact. energy: 3.098
local terms energy: -783.762852
where:
bonds (distance) C4'-P energy: -136.552
bonds (distance) P-C4' energy: -140.696
flat angles C4'-P-C4' energy: -157.549
flat angles P-C4'-P energy: -107.738
tors. eta vs tors. theta energy: -241.228
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: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2443.166908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.166908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.166908 (E_RNA)
where:
Base-Base interactions energy: -1672.529
where: short stacking energy: -749.866
Base-Backbone interact. energy: -3.255
local terms energy: -767.382717
where:
bonds (distance) C4'-P energy: -133.381
bonds (distance) P-C4' energy: -147.373
flat angles C4'-P-C4' energy: -162.077
flat angles P-C4'-P energy: -107.924
tors. eta vs tors. theta energy: -216.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2363.176327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.176327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.176327 (E_RNA)
where:
Base-Base interactions energy: -1643.502
where: short stacking energy: -719.605
Base-Backbone interact. energy: 2.073
local terms energy: -721.747062
where:
bonds (distance) C4'-P energy: -118.226
bonds (distance) P-C4' energy: -124.830
flat angles C4'-P-C4' energy: -161.106
flat angles P-C4'-P energy: -105.595
tors. eta vs tors. theta energy: -211.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2290.219777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.219777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.219777 (E_RNA)
where:
Base-Base interactions energy: -1592.491
where: short stacking energy: -680.301
Base-Backbone interact. energy: -2.731
local terms energy: -694.997638
where:
bonds (distance) C4'-P energy: -124.759
bonds (distance) P-C4' energy: -115.955
flat angles C4'-P-C4' energy: -160.989
flat angles P-C4'-P energy: -93.615
tors. eta vs tors. theta energy: -199.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2171.619305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.619305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.619305 (E_RNA)
where:
Base-Base interactions energy: -1536.074
where: short stacking energy: -630.751
Base-Backbone interact. energy: 1.287
local terms energy: -636.833054
where:
bonds (distance) C4'-P energy: -115.499
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -129.155
flat angles P-C4'-P energy: -88.289
tors. eta vs tors. theta energy: -180.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1946.276314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.276314 (E_RNA)
where:
Base-Base interactions energy: -1311.220
where: short stacking energy: -599.163
Base-Backbone interact. energy: -1.422
local terms energy: -633.633814
where:
bonds (distance) C4'-P energy: -115.527
bonds (distance) P-C4' energy: -125.574
flat angles C4'-P-C4' energy: -146.344
flat angles P-C4'-P energy: -87.123
tors. eta vs tors. theta energy: -159.066
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: 310
Temperature: 1.200000
Total energy: -1707.497204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.497204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.497204 (E_RNA)
where:
Base-Base interactions energy: -1102.696
where: short stacking energy: -505.815
Base-Backbone interact. energy: -1.754
local terms energy: -603.046912
where:
bonds (distance) C4'-P energy: -125.211
bonds (distance) P-C4' energy: -122.113
flat angles C4'-P-C4' energy: -132.907
flat angles P-C4'-P energy: -95.688
tors. eta vs tors. theta energy: -127.127
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: 310
Temperature: 1.250000
Total energy: -1381.958643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.958643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.958643 (E_RNA)
where:
Base-Base interactions energy: -875.684
where: short stacking energy: -423.582
Base-Backbone interact. energy: -0.305
local terms energy: -505.969343
where:
bonds (distance) C4'-P energy: -119.634
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -126.694
flat angles P-C4'-P energy: -74.409
tors. eta vs tors. theta energy: -84.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1321.729160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.729160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.729160 (E_RNA)
where:
Base-Base interactions energy: -856.865
where: short stacking energy: -399.319
Base-Backbone interact. energy: 2.416
local terms energy: -467.280034
where:
bonds (distance) C4'-P energy: -99.912
bonds (distance) P-C4' energy: -110.120
flat angles C4'-P-C4' energy: -122.054
flat angles P-C4'-P energy: -69.961
tors. eta vs tors. theta energy: -65.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -852.548213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.548213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.548213 (E_RNA)
where:
Base-Base interactions energy: -442.817
where: short stacking energy: -246.581
Base-Backbone interact. energy: -2.821
local terms energy: -406.910568
where:
bonds (distance) C4'-P energy: -106.893
bonds (distance) P-C4' energy: -114.200
flat angles C4'-P-C4' energy: -121.211
flat angles P-C4'-P energy: -55.924
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2594.148264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.148264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.148264 (E_RNA)
where:
Base-Base interactions energy: -1804.747
where: short stacking energy: -773.015
Base-Backbone interact. energy: -4.624
local terms energy: -784.776835
where:
bonds (distance) C4'-P energy: -131.018
bonds (distance) P-C4' energy: -141.600
flat angles C4'-P-C4' energy: -163.479
flat angles P-C4'-P energy: -108.775
tors. eta vs tors. theta energy: -239.905
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: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2468.809059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.809059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.809059 (E_RNA)
where:
Base-Base interactions energy: -1693.841
where: short stacking energy: -714.958
Base-Backbone interact. energy: -1.000
local terms energy: -773.968138
where:
bonds (distance) C4'-P energy: -145.143
bonds (distance) P-C4' energy: -139.801
flat angles C4'-P-C4' energy: -163.056
flat angles P-C4'-P energy: -111.051
tors. eta vs tors. theta energy: -214.917
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: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2367.015008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.015008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.015008 (E_RNA)
where:
Base-Base interactions energy: -1640.064
where: short stacking energy: -686.464
Base-Backbone interact. energy: -2.245
local terms energy: -724.706624
where:
bonds (distance) C4'-P energy: -117.451
bonds (distance) P-C4' energy: -145.681
flat angles C4'-P-C4' energy: -159.690
flat angles P-C4'-P energy: -104.439
tors. eta vs tors. theta energy: -197.446
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: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2277.802067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.802067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.802067 (E_RNA)
where:
Base-Base interactions energy: -1575.306
where: short stacking energy: -659.253
Base-Backbone interact. energy: 0.242
local terms energy: -702.738523
where:
bonds (distance) C4'-P energy: -127.708
bonds (distance) P-C4' energy: -139.488
flat angles C4'-P-C4' energy: -158.744
flat angles P-C4'-P energy: -101.991
tors. eta vs tors. theta energy: -174.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2192.550433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.550433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.550433 (E_RNA)
where:
Base-Base interactions energy: -1538.899
where: short stacking energy: -648.108
Base-Backbone interact. energy: -1.984
local terms energy: -651.667239
where:
bonds (distance) C4'-P energy: -115.593
bonds (distance) P-C4' energy: -116.127
flat angles C4'-P-C4' energy: -151.437
flat angles P-C4'-P energy: -91.124
tors. eta vs tors. theta energy: -177.386
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: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1900.041400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.041400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.041400 (E_RNA)
where:
Base-Base interactions energy: -1280.286
where: short stacking energy: -572.375
Base-Backbone interact. energy: 1.486
local terms energy: -621.240933
where:
bonds (distance) C4'-P energy: -106.507
bonds (distance) P-C4' energy: -118.390
flat angles C4'-P-C4' energy: -144.510
flat angles P-C4'-P energy: -90.787
tors. eta vs tors. theta energy: -161.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1660.942750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.942750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.942750 (E_RNA)
where:
Base-Base interactions energy: -1089.497
where: short stacking energy: -502.435
Base-Backbone interact. energy: 2.497
local terms energy: -573.942596
where:
bonds (distance) C4'-P energy: -111.402
bonds (distance) P-C4' energy: -116.636
flat angles C4'-P-C4' energy: -137.000
flat angles P-C4'-P energy: -83.438
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: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1354.519331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.519331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.519331 (E_RNA)
where:
Base-Base interactions energy: -843.487
where: short stacking energy: -404.310
Base-Backbone interact. energy: -2.760
local terms energy: -508.272877
where:
bonds (distance) C4'-P energy: -114.793
bonds (distance) P-C4' energy: -122.050
flat angles C4'-P-C4' energy: -125.078
flat angles P-C4'-P energy: -65.500
tors. eta vs tors. theta energy: -80.853
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: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1284.026237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.026237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.026237 (E_RNA)
where:
Base-Base interactions energy: -816.200
where: short stacking energy: -376.573
Base-Backbone interact. energy: -0.494
local terms energy: -467.332441
where:
bonds (distance) C4'-P energy: -96.269
bonds (distance) P-C4' energy: -118.438
flat angles C4'-P-C4' energy: -119.732
flat angles P-C4'-P energy: -60.817
tors. eta vs tors. theta energy: -72.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -885.042836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.042836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.042836 (E_RNA)
where:
Base-Base interactions energy: -491.783
where: short stacking energy: -265.672
Base-Backbone interact. energy: -0.061
local terms energy: -393.198501
where:
bonds (distance) C4'-P energy: -101.371
bonds (distance) P-C4' energy: -115.272
flat angles C4'-P-C4' energy: -98.133
flat angles P-C4'-P energy: -54.639
tors. eta vs tors. theta energy: -23.783
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: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2583.962728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.962728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.962728 (E_RNA)
where:
Base-Base interactions energy: -1795.127
where: short stacking energy: -775.587
Base-Backbone interact. energy: -4.334
local terms energy: -784.501747
where:
bonds (distance) C4'-P energy: -127.541
bonds (distance) P-C4' energy: -148.969
flat angles C4'-P-C4' energy: -165.875
flat angles P-C4'-P energy: -106.184
tors. eta vs tors. theta energy: -235.933
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: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2465.650453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.650453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.650453 (E_RNA)
where:
Base-Base interactions energy: -1695.429
where: short stacking energy: -717.895
Base-Backbone interact. energy: -1.649
local terms energy: -768.573320
where:
bonds (distance) C4'-P energy: -143.210
bonds (distance) P-C4' energy: -144.548
flat angles C4'-P-C4' energy: -157.168
flat angles P-C4'-P energy: -101.812
tors. eta vs tors. theta energy: -221.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2387.610846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.610846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.610846 (E_RNA)
where:
Base-Base interactions energy: -1649.219
where: short stacking energy: -691.831
Base-Backbone interact. energy: 0.423
local terms energy: -738.815169
where:
bonds (distance) C4'-P energy: -133.837
bonds (distance) P-C4' energy: -137.726
flat angles C4'-P-C4' energy: -155.343
flat angles P-C4'-P energy: -112.206
tors. eta vs tors. theta energy: -199.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2225.208799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.208799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.208799 (E_RNA)
where:
Base-Base interactions energy: -1567.163
where: short stacking energy: -610.953
Base-Backbone interact. energy: -2.113
local terms energy: -655.932776
where:
bonds (distance) C4'-P energy: -141.446
bonds (distance) P-C4' energy: -106.750
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -90.527
tors. eta vs tors. theta energy: -168.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2218.943369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.943369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.943369 (E_RNA)
where:
Base-Base interactions energy: -1524.696
where: short stacking energy: -624.545
Base-Backbone interact. energy: -3.658
local terms energy: -690.589807
where:
bonds (distance) C4'-P energy: -126.651
bonds (distance) P-C4' energy: -132.561
flat angles C4'-P-C4' energy: -150.688
flat angles P-C4'-P energy: -101.354
tors. eta vs tors. theta energy: -179.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1883.257351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.257351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.257351 (E_RNA)
where:
Base-Base interactions energy: -1287.817
where: short stacking energy: -564.429
Base-Backbone interact. energy: -3.216
local terms energy: -592.223770
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -112.337
flat angles C4'-P-C4' energy: -125.826
flat angles P-C4'-P energy: -82.355
tors. eta vs tors. theta energy: -155.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1678.689279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.689279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.689279 (E_RNA)
where:
Base-Base interactions energy: -1082.577
where: short stacking energy: -487.292
Base-Backbone interact. energy: 0.081
local terms energy: -596.193429
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -143.004
flat angles C4'-P-C4' energy: -124.543
flat angles P-C4'-P energy: -86.297
tors. eta vs tors. theta energy: -114.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1323.514260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.514260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.514260 (E_RNA)
where:
Base-Base interactions energy: -832.559
where: short stacking energy: -383.617
Base-Backbone interact. energy: -0.483
local terms energy: -490.472190
where:
bonds (distance) C4'-P energy: -116.020
bonds (distance) P-C4' energy: -110.410
flat angles C4'-P-C4' energy: -124.538
flat angles P-C4'-P energy: -73.591
tors. eta vs tors. theta energy: -65.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1284.963882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.963882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.963882 (E_RNA)
where:
Base-Base interactions energy: -799.489
where: short stacking energy: -372.642
Base-Backbone interact. energy: -1.262
local terms energy: -484.212633
where:
bonds (distance) C4'-P energy: -106.192
bonds (distance) P-C4' energy: -119.220
flat angles C4'-P-C4' energy: -115.543
flat angles P-C4'-P energy: -71.186
tors. eta vs tors. theta energy: -72.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -869.035880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.035880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.035880 (E_RNA)
where:
Base-Base interactions energy: -459.773
where: short stacking energy: -267.684
Base-Backbone interact. energy: 6.467
local terms energy: -415.729961
where:
bonds (distance) C4'-P energy: -126.364
bonds (distance) P-C4' energy: -115.685
flat angles C4'-P-C4' energy: -107.017
flat angles P-C4'-P energy: -47.314
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2615.004264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.004264 (E_RNA)
where:
Base-Base interactions energy: -1797.697
where: short stacking energy: -804.472
Base-Backbone interact. energy: -3.558
local terms energy: -813.748831
where:
bonds (distance) C4'-P energy: -123.609
bonds (distance) P-C4' energy: -156.150
flat angles C4'-P-C4' energy: -163.599
flat angles P-C4'-P energy: -122.409
tors. eta vs tors. theta energy: -247.982
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: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2436.918602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.918602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.918602 (E_RNA)
where:
Base-Base interactions energy: -1678.735
where: short stacking energy: -725.248
Base-Backbone interact. energy: -3.619
local terms energy: -754.564538
where:
bonds (distance) C4'-P energy: -130.537
bonds (distance) P-C4' energy: -133.567
flat angles C4'-P-C4' energy: -150.811
flat angles P-C4'-P energy: -113.841
tors. eta vs tors. theta energy: -225.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2359.187736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.187736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.187736 (E_RNA)
where:
Base-Base interactions energy: -1644.871
where: short stacking energy: -702.635
Base-Backbone interact. energy: 0.878
local terms energy: -715.194128
where:
bonds (distance) C4'-P energy: -128.068
bonds (distance) P-C4' energy: -142.211
flat angles C4'-P-C4' energy: -144.131
flat angles P-C4'-P energy: -97.369
tors. eta vs tors. theta energy: -203.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2237.917295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.917295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.917295 (E_RNA)
where:
Base-Base interactions energy: -1547.173
where: short stacking energy: -632.859
Base-Backbone interact. energy: -3.343
local terms energy: -687.400921
where:
bonds (distance) C4'-P energy: -141.025
bonds (distance) P-C4' energy: -140.280
flat angles C4'-P-C4' energy: -161.800
flat angles P-C4'-P energy: -76.137
tors. eta vs tors. theta energy: -168.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2236.178791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.178791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.178791 (E_RNA)
where:
Base-Base interactions energy: -1571.485
where: short stacking energy: -653.581
Base-Backbone interact. energy: -3.910
local terms energy: -660.783947
where:
bonds (distance) C4'-P energy: -117.890
bonds (distance) P-C4' energy: -110.515
flat angles C4'-P-C4' energy: -146.836
flat angles P-C4'-P energy: -98.577
tors. eta vs tors. theta energy: -186.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1940.265479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.265479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.265479 (E_RNA)
where:
Base-Base interactions energy: -1306.800
where: short stacking energy: -559.543
Base-Backbone interact. energy: -3.132
local terms energy: -630.333336
where:
bonds (distance) C4'-P energy: -130.859
bonds (distance) P-C4' energy: -121.023
flat angles C4'-P-C4' energy: -131.772
flat angles P-C4'-P energy: -83.874
tors. eta vs tors. theta energy: -162.805
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: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1710.143090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.143090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.143090 (E_RNA)
where:
Base-Base interactions energy: -1137.530
where: short stacking energy: -506.582
Base-Backbone interact. energy: 0.659
local terms energy: -573.271891
where:
bonds (distance) C4'-P energy: -113.626
bonds (distance) P-C4' energy: -136.717
flat angles C4'-P-C4' energy: -128.477
flat angles P-C4'-P energy: -76.615
tors. eta vs tors. theta energy: -117.837
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: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1321.239979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.239979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.239979 (E_RNA)
where:
Base-Base interactions energy: -831.863
where: short stacking energy: -399.047
Base-Backbone interact. energy: 0.107
local terms energy: -489.484369
where:
bonds (distance) C4'-P energy: -96.602
bonds (distance) P-C4' energy: -115.484
flat angles C4'-P-C4' energy: -126.803
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -78.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1300.094297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.094297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.094297 (E_RNA)
where:
Base-Base interactions energy: -771.713
where: short stacking energy: -375.705
Base-Backbone interact. energy: -1.875
local terms energy: -526.506275
where:
bonds (distance) C4'-P energy: -138.587
bonds (distance) P-C4' energy: -124.785
flat angles C4'-P-C4' energy: -124.530
flat angles P-C4'-P energy: -67.649
tors. eta vs tors. theta energy: -70.955
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: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -865.574030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.574030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.574030 (E_RNA)
where:
Base-Base interactions energy: -470.204
where: short stacking energy: -269.535
Base-Backbone interact. energy: 0.075
local terms energy: -395.444850
where:
bonds (distance) C4'-P energy: -93.877
bonds (distance) P-C4' energy: -111.548
flat angles C4'-P-C4' energy: -95.058
flat angles P-C4'-P energy: -65.337
tors. eta vs tors. theta energy: -29.624
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: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2594.200956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.200956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.200956 (E_RNA)
where:
Base-Base interactions energy: -1766.925
where: short stacking energy: -795.572
Base-Backbone interact. energy: -2.470
local terms energy: -824.805967
where:
bonds (distance) C4'-P energy: -145.428
bonds (distance) P-C4' energy: -144.906
flat angles C4'-P-C4' energy: -169.653
flat angles P-C4'-P energy: -123.338
tors. eta vs tors. theta energy: -241.482
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: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2448.044354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.044354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.044354 (E_RNA)
where:
Base-Base interactions energy: -1669.948
where: short stacking energy: -734.634
Base-Backbone interact. energy: -3.766
local terms energy: -774.330319
where:
bonds (distance) C4'-P energy: -140.054
bonds (distance) P-C4' energy: -150.733
flat angles C4'-P-C4' energy: -152.221
flat angles P-C4'-P energy: -107.985
tors. eta vs tors. theta energy: -223.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2358.914563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.914563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.914563 (E_RNA)
where:
Base-Base interactions energy: -1643.111
where: short stacking energy: -694.285
Base-Backbone interact. energy: -2.787
local terms energy: -713.016785
where:
bonds (distance) C4'-P energy: -120.562
bonds (distance) P-C4' energy: -137.408
flat angles C4'-P-C4' energy: -151.567
flat angles P-C4'-P energy: -106.822
tors. eta vs tors. theta energy: -196.659
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: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2211.333748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.333748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.333748 (E_RNA)
where:
Base-Base interactions energy: -1517.744
where: short stacking energy: -620.592
Base-Backbone interact. energy: -3.880
local terms energy: -689.709247
where:
bonds (distance) C4'-P energy: -138.562
bonds (distance) P-C4' energy: -137.636
flat angles C4'-P-C4' energy: -141.220
flat angles P-C4'-P energy: -104.444
tors. eta vs tors. theta energy: -167.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2267.078437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.078437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.078437 (E_RNA)
where:
Base-Base interactions energy: -1582.498
where: short stacking energy: -670.866
Base-Backbone interact. energy: -1.180
local terms energy: -683.400533
where:
bonds (distance) C4'-P energy: -127.354
bonds (distance) P-C4' energy: -121.430
flat angles C4'-P-C4' energy: -150.742
flat angles P-C4'-P energy: -91.061
tors. eta vs tors. theta energy: -192.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1902.215116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.215116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.215116 (E_RNA)
where:
Base-Base interactions energy: -1236.796
where: short stacking energy: -537.464
Base-Backbone interact. energy: -3.331
local terms energy: -662.087585
where:
bonds (distance) C4'-P energy: -134.747
bonds (distance) P-C4' energy: -140.159
flat angles C4'-P-C4' energy: -143.283
flat angles P-C4'-P energy: -97.135
tors. eta vs tors. theta energy: -146.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1657.800611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.800611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.800611 (E_RNA)
where:
Base-Base interactions energy: -1048.545
where: short stacking energy: -455.928
Base-Backbone interact. energy: -2.342
local terms energy: -606.912769
where:
bonds (distance) C4'-P energy: -105.156
bonds (distance) P-C4' energy: -151.207
flat angles C4'-P-C4' energy: -141.693
flat angles P-C4'-P energy: -91.157
tors. eta vs tors. theta energy: -117.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1337.334274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.334274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.334274 (E_RNA)
where:
Base-Base interactions energy: -879.099
where: short stacking energy: -404.347
Base-Backbone interact. energy: 2.263
local terms energy: -460.498821
where:
bonds (distance) C4'-P energy: -98.446
bonds (distance) P-C4' energy: -113.407
flat angles C4'-P-C4' energy: -102.493
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -70.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1195.006282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.006282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.006282 (E_RNA)
where:
Base-Base interactions energy: -707.331
where: short stacking energy: -351.465
Base-Backbone interact. energy: 0.781
local terms energy: -488.456200
where:
bonds (distance) C4'-P energy: -118.200
bonds (distance) P-C4' energy: -104.106
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -66.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -878.941846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.941846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.941846 (E_RNA)
where:
Base-Base interactions energy: -490.097
where: short stacking energy: -284.326
Base-Backbone interact. energy: 3.259
local terms energy: -392.103511
where:
bonds (distance) C4'-P energy: -112.060
bonds (distance) P-C4' energy: -101.022
flat angles C4'-P-C4' energy: -111.422
flat angles P-C4'-P energy: -57.586
tors. eta vs tors. theta energy: -10.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2605.094160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.094160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.094160 (E_RNA)
where:
Base-Base interactions energy: -1797.851
where: short stacking energy: -785.563
Base-Backbone interact. energy: -3.236
local terms energy: -804.007529
where:
bonds (distance) C4'-P energy: -128.930
bonds (distance) P-C4' energy: -139.965
flat angles C4'-P-C4' energy: -166.117
flat angles P-C4'-P energy: -123.839
tors. eta vs tors. theta energy: -245.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2441.810813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.810813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.810813 (E_RNA)
where:
Base-Base interactions energy: -1676.946
where: short stacking energy: -726.122
Base-Backbone interact. energy: -1.442
local terms energy: -763.422858
where:
bonds (distance) C4'-P energy: -130.911
bonds (distance) P-C4' energy: -149.787
flat angles C4'-P-C4' energy: -157.780
flat angles P-C4'-P energy: -103.476
tors. eta vs tors. theta energy: -221.468
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: 315
Temperature: 1.000000
Total energy: -2362.376980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.376980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.376980 (E_RNA)
where:
Base-Base interactions energy: -1637.127
where: short stacking energy: -678.799
Base-Backbone interact. energy: -1.683
local terms energy: -723.567534
where:
bonds (distance) C4'-P energy: -116.338
bonds (distance) P-C4' energy: -157.108
flat angles C4'-P-C4' energy: -149.688
flat angles P-C4'-P energy: -103.440
tors. eta vs tors. theta energy: -196.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2310.831239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.831239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.831239 (E_RNA)
where:
Base-Base interactions energy: -1577.902
where: short stacking energy: -677.534
Base-Backbone interact. energy: -2.717
local terms energy: -730.212204
where:
bonds (distance) C4'-P energy: -137.103
bonds (distance) P-C4' energy: -135.971
flat angles C4'-P-C4' energy: -157.570
flat angles P-C4'-P energy: -107.741
tors. eta vs tors. theta energy: -191.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2165.442977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.442977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.442977 (E_RNA)
where:
Base-Base interactions energy: -1477.067
where: short stacking energy: -633.178
Base-Backbone interact. energy: -0.733
local terms energy: -687.642675
where:
bonds (distance) C4'-P energy: -132.273
bonds (distance) P-C4' energy: -129.961
flat angles C4'-P-C4' energy: -152.178
flat angles P-C4'-P energy: -86.280
tors. eta vs tors. theta energy: -186.950
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: 315
Temperature: 1.150000
Total energy: -1981.677661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.677661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.677661 (E_RNA)
where:
Base-Base interactions energy: -1337.435
where: short stacking energy: -595.207
Base-Backbone interact. energy: -2.490
local terms energy: -641.752578
where:
bonds (distance) C4'-P energy: -102.341
bonds (distance) P-C4' energy: -128.923
flat angles C4'-P-C4' energy: -138.259
flat angles P-C4'-P energy: -90.740
tors. eta vs tors. theta energy: -181.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1710.944953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.944953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.944953 (E_RNA)
where:
Base-Base interactions energy: -1136.521
where: short stacking energy: -515.440
Base-Backbone interact. energy: -2.435
local terms energy: -571.989847
where:
bonds (distance) C4'-P energy: -110.166
bonds (distance) P-C4' energy: -117.545
flat angles C4'-P-C4' energy: -132.736
flat angles P-C4'-P energy: -86.256
tors. eta vs tors. theta energy: -125.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1361.536887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.536887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.536887 (E_RNA)
where:
Base-Base interactions energy: -838.847
where: short stacking energy: -370.755
Base-Backbone interact. energy: -0.196
local terms energy: -522.494162
where:
bonds (distance) C4'-P energy: -124.210
bonds (distance) P-C4' energy: -123.653
flat angles C4'-P-C4' energy: -132.514
flat angles P-C4'-P energy: -77.381
tors. eta vs tors. theta energy: -64.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1208.437081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.437081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.437081 (E_RNA)
where:
Base-Base interactions energy: -735.073
where: short stacking energy: -344.124
Base-Backbone interact. energy: 0.786
local terms energy: -474.149860
where:
bonds (distance) C4'-P energy: -88.218
bonds (distance) P-C4' energy: -118.490
flat angles C4'-P-C4' energy: -139.500
flat angles P-C4'-P energy: -64.180
tors. eta vs tors. theta energy: -63.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -839.198500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.198500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.198500 (E_RNA)
where:
Base-Base interactions energy: -412.116
where: short stacking energy: -217.645
Base-Backbone interact. energy: 4.327
local terms energy: -431.409122
where:
bonds (distance) C4'-P energy: -129.239
bonds (distance) P-C4' energy: -131.956
flat angles C4'-P-C4' energy: -113.475
flat angles P-C4'-P energy: -74.769
tors. eta vs tors. theta energy: 18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2600.279953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.279953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.279953 (E_RNA)
where:
Base-Base interactions energy: -1789.660
where: short stacking energy: -790.041
Base-Backbone interact. energy: -2.723
local terms energy: -807.897073
where:
bonds (distance) C4'-P energy: -138.291
bonds (distance) P-C4' energy: -145.202
flat angles C4'-P-C4' energy: -163.502
flat angles P-C4'-P energy: -123.381
tors. eta vs tors. theta energy: -237.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2458.341833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.341833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.341833 (E_RNA)
where:
Base-Base interactions energy: -1691.057
where: short stacking energy: -741.139
Base-Backbone interact. energy: -5.102
local terms energy: -762.182549
where:
bonds (distance) C4'-P energy: -125.685
bonds (distance) P-C4' energy: -134.688
flat angles C4'-P-C4' energy: -161.964
flat angles P-C4'-P energy: -120.711
tors. eta vs tors. theta energy: -219.134
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: 316
Temperature: 1.000000
Total energy: -2404.995612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.995612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.995612 (E_RNA)
where:
Base-Base interactions energy: -1669.516
where: short stacking energy: -712.680
Base-Backbone interact. energy: -3.249
local terms energy: -732.230869
where:
bonds (distance) C4'-P energy: -135.524
bonds (distance) P-C4' energy: -136.886
flat angles C4'-P-C4' energy: -167.033
flat angles P-C4'-P energy: -102.324
tors. eta vs tors. theta energy: -190.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2312.448118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.448118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.448118 (E_RNA)
where:
Base-Base interactions energy: -1609.570
where: short stacking energy: -691.602
Base-Backbone interact. energy: -4.009
local terms energy: -698.869174
where:
bonds (distance) C4'-P energy: -123.427
bonds (distance) P-C4' energy: -126.511
flat angles C4'-P-C4' energy: -143.413
flat angles P-C4'-P energy: -104.367
tors. eta vs tors. theta energy: -201.151
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2159.131612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.131612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.131612 (E_RNA)
where:
Base-Base interactions energy: -1499.476
where: short stacking energy: -623.268
Base-Backbone interact. energy: -2.514
local terms energy: -657.141809
where:
bonds (distance) C4'-P energy: -110.277
bonds (distance) P-C4' energy: -136.726
flat angles C4'-P-C4' energy: -146.111
flat angles P-C4'-P energy: -100.978
tors. eta vs tors. theta energy: -163.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1993.937501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.937501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.937501 (E_RNA)
where:
Base-Base interactions energy: -1374.448
where: short stacking energy: -629.881
Base-Backbone interact. energy: -4.864
local terms energy: -614.625500
where:
bonds (distance) C4'-P energy: -122.194
bonds (distance) P-C4' energy: -113.986
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -77.670
tors. eta vs tors. theta energy: -175.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1670.139377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.139377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.139377 (E_RNA)
where:
Base-Base interactions energy: -1086.221
where: short stacking energy: -489.987
Base-Backbone interact. energy: 7.269
local terms energy: -591.188081
where:
bonds (distance) C4'-P energy: -123.836
bonds (distance) P-C4' energy: -116.866
flat angles C4'-P-C4' energy: -129.654
flat angles P-C4'-P energy: -84.999
tors. eta vs tors. theta energy: -135.833
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: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1376.078812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.078812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.078812 (E_RNA)
where:
Base-Base interactions energy: -893.202
where: short stacking energy: -396.740
Base-Backbone interact. energy: -4.160
local terms energy: -478.717372
where:
bonds (distance) C4'-P energy: -109.225
bonds (distance) P-C4' energy: -120.964
flat angles C4'-P-C4' energy: -99.797
flat angles P-C4'-P energy: -73.696
tors. eta vs tors. theta energy: -75.036
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: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1279.733595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.733595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.733595 (E_RNA)
where:
Base-Base interactions energy: -807.633
where: short stacking energy: -376.387
Base-Backbone interact. energy: -1.768
local terms energy: -470.332425
where:
bonds (distance) C4'-P energy: -112.273
bonds (distance) P-C4' energy: -125.628
flat angles C4'-P-C4' energy: -125.414
flat angles P-C4'-P energy: -54.561
tors. eta vs tors. theta energy: -52.456
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: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -871.173882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.173882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.173882 (E_RNA)
where:
Base-Base interactions energy: -505.059
where: short stacking energy: -244.245
Base-Backbone interact. energy: -2.302
local terms energy: -363.812586
where:
bonds (distance) C4'-P energy: -88.273
bonds (distance) P-C4' energy: -97.301
flat angles C4'-P-C4' energy: -106.015
flat angles P-C4'-P energy: -67.446
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2591.676684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.676684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.676684 (E_RNA)
where:
Base-Base interactions energy: -1804.964
where: short stacking energy: -793.957
Base-Backbone interact. energy: -2.901
local terms energy: -783.811207
where:
bonds (distance) C4'-P energy: -131.468
bonds (distance) P-C4' energy: -136.664
flat angles C4'-P-C4' energy: -165.057
flat angles P-C4'-P energy: -107.173
tors. eta vs tors. theta energy: -243.449
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: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2461.467747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.467747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.467747 (E_RNA)
where:
Base-Base interactions energy: -1676.858
where: short stacking energy: -741.889
Base-Backbone interact. energy: -1.381
local terms energy: -783.228235
where:
bonds (distance) C4'-P energy: -132.963
bonds (distance) P-C4' energy: -152.304
flat angles C4'-P-C4' energy: -169.467
flat angles P-C4'-P energy: -106.905
tors. eta vs tors. theta energy: -221.590
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: 317
Temperature: 1.000000
Total energy: -2375.301071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.301071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.301071 (E_RNA)
where:
Base-Base interactions energy: -1649.598
where: short stacking energy: -704.799
Base-Backbone interact. energy: -2.749
local terms energy: -722.954326
where:
bonds (distance) C4'-P energy: -126.165
bonds (distance) P-C4' energy: -140.939
flat angles C4'-P-C4' energy: -156.786
flat angles P-C4'-P energy: -100.990
tors. eta vs tors. theta energy: -198.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2273.746367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.746367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.746367 (E_RNA)
where:
Base-Base interactions energy: -1560.024
where: short stacking energy: -689.284
Base-Backbone interact. energy: -2.595
local terms energy: -711.127191
where:
bonds (distance) C4'-P energy: -114.450
bonds (distance) P-C4' energy: -139.627
flat angles C4'-P-C4' energy: -152.885
flat angles P-C4'-P energy: -101.970
tors. eta vs tors. theta energy: -202.194
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: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2163.148497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.148497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.148497 (E_RNA)
where:
Base-Base interactions energy: -1525.706
where: short stacking energy: -607.818
Base-Backbone interact. energy: 1.108
local terms energy: -638.550545
where:
bonds (distance) C4'-P energy: -115.070
bonds (distance) P-C4' energy: -117.681
flat angles C4'-P-C4' energy: -129.913
flat angles P-C4'-P energy: -109.542
tors. eta vs tors. theta energy: -166.346
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: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1941.017058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.017058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.017058 (E_RNA)
where:
Base-Base interactions energy: -1326.055
where: short stacking energy: -588.841
Base-Backbone interact. energy: 1.083
local terms energy: -616.045082
where:
bonds (distance) C4'-P energy: -103.195
bonds (distance) P-C4' energy: -106.648
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -90.318
tors. eta vs tors. theta energy: -172.254
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: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1682.733493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.733493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.733493 (E_RNA)
where:
Base-Base interactions energy: -1107.424
where: short stacking energy: -498.083
Base-Backbone interact. energy: 0.892
local terms energy: -576.201429
where:
bonds (distance) C4'-P energy: -118.049
bonds (distance) P-C4' energy: -131.101
flat angles C4'-P-C4' energy: -130.141
flat angles P-C4'-P energy: -73.298
tors. eta vs tors. theta energy: -123.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1374.010576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.010576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.010576 (E_RNA)
where:
Base-Base interactions energy: -847.190
where: short stacking energy: -394.236
Base-Backbone interact. energy: -1.320
local terms energy: -525.499829
where:
bonds (distance) C4'-P energy: -107.234
bonds (distance) P-C4' energy: -127.064
flat angles C4'-P-C4' energy: -134.230
flat angles P-C4'-P energy: -72.925
tors. eta vs tors. theta energy: -84.047
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: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1264.446232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.446232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.446232 (E_RNA)
where:
Base-Base interactions energy: -800.171
where: short stacking energy: -385.811
Base-Backbone interact. energy: -1.629
local terms energy: -462.646935
where:
bonds (distance) C4'-P energy: -110.392
bonds (distance) P-C4' energy: -120.554
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -74.335
tors. eta vs tors. theta energy: -55.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -870.470106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.470106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.470106 (E_RNA)
where:
Base-Base interactions energy: -448.379
where: short stacking energy: -247.611
Base-Backbone interact. energy: 6.254
local terms energy: -428.345314
where:
bonds (distance) C4'-P energy: -106.076
bonds (distance) P-C4' energy: -123.391
flat angles C4'-P-C4' energy: -114.134
flat angles P-C4'-P energy: -72.748
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2584.438554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.438554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.438554 (E_RNA)
where:
Base-Base interactions energy: -1814.445
where: short stacking energy: -762.270
Base-Backbone interact. energy: -4.777
local terms energy: -765.216217
where:
bonds (distance) C4'-P energy: -124.381
bonds (distance) P-C4' energy: -139.960
flat angles C4'-P-C4' energy: -157.694
flat angles P-C4'-P energy: -107.164
tors. eta vs tors. theta energy: -236.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2476.485931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.485931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.485931 (E_RNA)
where:
Base-Base interactions energy: -1723.124
where: short stacking energy: -770.641
Base-Backbone interact. energy: -2.644
local terms energy: -750.718067
where:
bonds (distance) C4'-P energy: -130.384
bonds (distance) P-C4' energy: -134.876
flat angles C4'-P-C4' energy: -152.929
flat angles P-C4'-P energy: -104.739
tors. eta vs tors. theta energy: -227.790
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: 318
Temperature: 1.000000
Total energy: -2361.818341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.818341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.818341 (E_RNA)
where:
Base-Base interactions energy: -1640.192
where: short stacking energy: -707.453
Base-Backbone interact. energy: -0.587
local terms energy: -721.039499
where:
bonds (distance) C4'-P energy: -125.041
bonds (distance) P-C4' energy: -128.765
flat angles C4'-P-C4' energy: -167.071
flat angles P-C4'-P energy: -92.401
tors. eta vs tors. theta energy: -207.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2301.622331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.622331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.622331 (E_RNA)
where:
Base-Base interactions energy: -1592.931
where: short stacking energy: -688.138
Base-Backbone interact. energy: -0.241
local terms energy: -708.449542
where:
bonds (distance) C4'-P energy: -126.665
bonds (distance) P-C4' energy: -141.723
flat angles C4'-P-C4' energy: -156.040
flat angles P-C4'-P energy: -94.026
tors. eta vs tors. theta energy: -189.995
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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2157.908390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.908390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.908390 (E_RNA)
where:
Base-Base interactions energy: -1488.592
where: short stacking energy: -609.323
Base-Backbone interact. energy: -1.526
local terms energy: -667.790889
where:
bonds (distance) C4'-P energy: -125.777
bonds (distance) P-C4' energy: -127.559
flat angles C4'-P-C4' energy: -151.721
flat angles P-C4'-P energy: -92.672
tors. eta vs tors. theta energy: -170.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1978.245452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.245452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.245452 (E_RNA)
where:
Base-Base interactions energy: -1324.688
where: short stacking energy: -564.211
Base-Backbone interact. energy: -4.077
local terms energy: -649.480320
where:
bonds (distance) C4'-P energy: -113.905
bonds (distance) P-C4' energy: -122.659
flat angles C4'-P-C4' energy: -149.757
flat angles P-C4'-P energy: -89.394
tors. eta vs tors. theta energy: -173.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1654.481683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.481683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.481683 (E_RNA)
where:
Base-Base interactions energy: -1101.731
where: short stacking energy: -489.580
Base-Backbone interact. energy: -0.939
local terms energy: -551.811165
where:
bonds (distance) C4'-P energy: -105.147
bonds (distance) P-C4' energy: -118.144
flat angles C4'-P-C4' energy: -138.915
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -106.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1354.431296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.431296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.431296 (E_RNA)
where:
Base-Base interactions energy: -847.683
where: short stacking energy: -419.401
Base-Backbone interact. energy: -2.241
local terms energy: -504.506775
where:
bonds (distance) C4'-P energy: -113.437
bonds (distance) P-C4' energy: -130.987
flat angles C4'-P-C4' energy: -108.729
flat angles P-C4'-P energy: -66.953
tors. eta vs tors. theta energy: -84.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1235.490127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.490127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.490127 (E_RNA)
where:
Base-Base interactions energy: -764.933
where: short stacking energy: -351.511
Base-Backbone interact. energy: -2.198
local terms energy: -468.358950
where:
bonds (distance) C4'-P energy: -100.100
bonds (distance) P-C4' energy: -131.617
flat angles C4'-P-C4' energy: -117.368
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -46.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -889.272318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.272318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.272318 (E_RNA)
where:
Base-Base interactions energy: -475.245
where: short stacking energy: -253.954
Base-Backbone interact. energy: 2.406
local terms energy: -416.433885
where:
bonds (distance) C4'-P energy: -98.753
bonds (distance) P-C4' energy: -119.634
flat angles C4'-P-C4' energy: -118.168
flat angles P-C4'-P energy: -69.339
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2589.401608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.401608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.401608 (E_RNA)
where:
Base-Base interactions energy: -1801.330
where: short stacking energy: -789.043
Base-Backbone interact. energy: -3.397
local terms energy: -784.674966
where:
bonds (distance) C4'-P energy: -117.099
bonds (distance) P-C4' energy: -146.275
flat angles C4'-P-C4' energy: -163.192
flat angles P-C4'-P energy: -117.777
tors. eta vs tors. theta energy: -240.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2466.385533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.385533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.385533 (E_RNA)
where:
Base-Base interactions energy: -1704.357
where: short stacking energy: -735.853
Base-Backbone interact. energy: -4.120
local terms energy: -757.908689
where:
bonds (distance) C4'-P energy: -139.497
bonds (distance) P-C4' energy: -130.808
flat angles C4'-P-C4' energy: -169.611
flat angles P-C4'-P energy: -101.797
tors. eta vs tors. theta energy: -216.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2418.541480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.541480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.541480 (E_RNA)
where:
Base-Base interactions energy: -1655.491
where: short stacking energy: -711.498
Base-Backbone interact. energy: -5.953
local terms energy: -757.096656
where:
bonds (distance) C4'-P energy: -140.919
bonds (distance) P-C4' energy: -135.977
flat angles C4'-P-C4' energy: -159.050
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -206.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2221.381882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.381882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.381882 (E_RNA)
where:
Base-Base interactions energy: -1531.591
where: short stacking energy: -654.131
Base-Backbone interact. energy: -2.499
local terms energy: -687.291711
where:
bonds (distance) C4'-P energy: -133.307
bonds (distance) P-C4' energy: -129.904
flat angles C4'-P-C4' energy: -140.342
flat angles P-C4'-P energy: -105.855
tors. eta vs tors. theta energy: -177.884
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: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2233.970753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.970753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.970753 (E_RNA)
where:
Base-Base interactions energy: -1533.579
where: short stacking energy: -662.113
Base-Backbone interact. energy: 0.243
local terms energy: -700.634618
where:
bonds (distance) C4'-P energy: -132.321
bonds (distance) P-C4' energy: -133.347
flat angles C4'-P-C4' energy: -152.484
flat angles P-C4'-P energy: -94.744
tors. eta vs tors. theta energy: -187.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1936.524247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.524247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.524247 (E_RNA)
where:
Base-Base interactions energy: -1307.775
where: short stacking energy: -570.877
Base-Backbone interact. energy: -4.157
local terms energy: -624.592066
where:
bonds (distance) C4'-P energy: -113.045
bonds (distance) P-C4' energy: -129.635
flat angles C4'-P-C4' energy: -126.651
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: -173.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1691.664483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.664483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.664483 (E_RNA)
where:
Base-Base interactions energy: -1108.375
where: short stacking energy: -499.918
Base-Backbone interact. energy: -2.698
local terms energy: -580.591589
where:
bonds (distance) C4'-P energy: -119.245
bonds (distance) P-C4' energy: -124.240
flat angles C4'-P-C4' energy: -138.496
flat angles P-C4'-P energy: -89.906
tors. eta vs tors. theta energy: -108.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1311.553177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.553177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.553177 (E_RNA)
where:
Base-Base interactions energy: -799.569
where: short stacking energy: -384.290
Base-Backbone interact. energy: -6.872
local terms energy: -505.111509
where:
bonds (distance) C4'-P energy: -105.512
bonds (distance) P-C4' energy: -125.426
flat angles C4'-P-C4' energy: -132.229
flat angles P-C4'-P energy: -82.431
tors. eta vs tors. theta energy: -59.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1339.478310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.478310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.478310 (E_RNA)
where:
Base-Base interactions energy: -856.016
where: short stacking energy: -398.550
Base-Backbone interact. energy: -1.017
local terms energy: -482.445687
where:
bonds (distance) C4'-P energy: -99.854
bonds (distance) P-C4' energy: -109.332
flat angles C4'-P-C4' energy: -129.386
flat angles P-C4'-P energy: -68.485
tors. eta vs tors. theta energy: -75.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -874.640561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.640561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.640561 (E_RNA)
where:
Base-Base interactions energy: -481.895
where: short stacking energy: -253.938
Base-Backbone interact. energy: -1.470
local terms energy: -391.276006
where:
bonds (distance) C4'-P energy: -109.817
bonds (distance) P-C4' energy: -104.207
flat angles C4'-P-C4' energy: -105.379
flat angles P-C4'-P energy: -49.965
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2601.339071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.339071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.339071 (E_RNA)
where:
Base-Base interactions energy: -1809.640
where: short stacking energy: -790.112
Base-Backbone interact. energy: -2.000
local terms energy: -789.698797
where:
bonds (distance) C4'-P energy: -134.317
bonds (distance) P-C4' energy: -143.484
flat angles C4'-P-C4' energy: -166.926
flat angles P-C4'-P energy: -105.164
tors. eta vs tors. theta energy: -239.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2462.003310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.003310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.003310 (E_RNA)
where:
Base-Base interactions energy: -1681.860
where: short stacking energy: -740.345
Base-Backbone interact. energy: 1.765
local terms energy: -781.908425
where:
bonds (distance) C4'-P energy: -140.151
bonds (distance) P-C4' energy: -141.002
flat angles C4'-P-C4' energy: -165.500
flat angles P-C4'-P energy: -107.280
tors. eta vs tors. theta energy: -227.974
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: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2373.040722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.040722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.040722 (E_RNA)
where:
Base-Base interactions energy: -1664.070
where: short stacking energy: -715.665
Base-Backbone interact. energy: -0.715
local terms energy: -708.256341
where:
bonds (distance) C4'-P energy: -121.590
bonds (distance) P-C4' energy: -137.462
flat angles C4'-P-C4' energy: -148.151
flat angles P-C4'-P energy: -101.572
tors. eta vs tors. theta energy: -199.481
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: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2253.877220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.877220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.877220 (E_RNA)
where:
Base-Base interactions energy: -1601.693
where: short stacking energy: -655.308
Base-Backbone interact. energy: -3.434
local terms energy: -648.749813
where:
bonds (distance) C4'-P energy: -124.018
bonds (distance) P-C4' energy: -123.714
flat angles C4'-P-C4' energy: -149.304
flat angles P-C4'-P energy: -68.476
tors. eta vs tors. theta energy: -183.239
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: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2198.148301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.148301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.148301 (E_RNA)
where:
Base-Base interactions energy: -1505.948
where: short stacking energy: -631.692
Base-Backbone interact. energy: 0.671
local terms energy: -692.871316
where:
bonds (distance) C4'-P energy: -129.774
bonds (distance) P-C4' energy: -134.124
flat angles C4'-P-C4' energy: -146.226
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -181.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1879.254129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.254129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.254129 (E_RNA)
where:
Base-Base interactions energy: -1258.254
where: short stacking energy: -541.049
Base-Backbone interact. energy: -4.609
local terms energy: -616.391023
where:
bonds (distance) C4'-P energy: -115.345
bonds (distance) P-C4' energy: -133.393
flat angles C4'-P-C4' energy: -132.543
flat angles P-C4'-P energy: -86.284
tors. eta vs tors. theta energy: -148.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1628.452674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.452674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.452674 (E_RNA)
where:
Base-Base interactions energy: -1096.689
where: short stacking energy: -468.754
Base-Backbone interact. energy: -3.894
local terms energy: -527.869669
where:
bonds (distance) C4'-P energy: -104.253
bonds (distance) P-C4' energy: -110.439
flat angles C4'-P-C4' energy: -137.817
flat angles P-C4'-P energy: -82.219
tors. eta vs tors. theta energy: -93.142
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: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1352.188583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.188583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.188583 (E_RNA)
where:
Base-Base interactions energy: -857.649
where: short stacking energy: -394.520
Base-Backbone interact. energy: 1.783
local terms energy: -496.322734
where:
bonds (distance) C4'-P energy: -112.070
bonds (distance) P-C4' energy: -126.759
flat angles C4'-P-C4' energy: -109.815
flat angles P-C4'-P energy: -88.719
tors. eta vs tors. theta energy: -58.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1353.317796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.317796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.317796 (E_RNA)
where:
Base-Base interactions energy: -849.732
where: short stacking energy: -416.492
Base-Backbone interact. energy: 7.092
local terms energy: -510.677703
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -102.207
flat angles C4'-P-C4' energy: -129.058
flat angles P-C4'-P energy: -70.406
tors. eta vs tors. theta energy: -85.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -874.207699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.207699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.207699 (E_RNA)
where:
Base-Base interactions energy: -450.672
where: short stacking energy: -240.777
Base-Backbone interact. energy: 7.766
local terms energy: -431.301879
where:
bonds (distance) C4'-P energy: -126.641
bonds (distance) P-C4' energy: -113.602
flat angles C4'-P-C4' energy: -111.403
flat angles P-C4'-P energy: -73.341
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2630.026830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.026830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.026830 (E_RNA)
where:
Base-Base interactions energy: -1823.617
where: short stacking energy: -793.491
Base-Backbone interact. energy: -2.975
local terms energy: -803.434329
where:
bonds (distance) C4'-P energy: -142.382
bonds (distance) P-C4' energy: -142.947
flat angles C4'-P-C4' energy: -160.424
flat angles P-C4'-P energy: -115.616
tors. eta vs tors. theta energy: -242.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2410.413304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.413304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.413304 (E_RNA)
where:
Base-Base interactions energy: -1651.166
where: short stacking energy: -742.637
Base-Backbone interact. energy: -0.668
local terms energy: -758.579912
where:
bonds (distance) C4'-P energy: -135.558
bonds (distance) P-C4' energy: -139.192
flat angles C4'-P-C4' energy: -161.274
flat angles P-C4'-P energy: -106.653
tors. eta vs tors. theta energy: -215.903
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: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2405.573969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.573969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.573969 (E_RNA)
where:
Base-Base interactions energy: -1650.515
where: short stacking energy: -698.490
Base-Backbone interact. energy: -0.463
local terms energy: -754.596433
where:
bonds (distance) C4'-P energy: -136.231
bonds (distance) P-C4' energy: -141.435
flat angles C4'-P-C4' energy: -165.771
flat angles P-C4'-P energy: -97.031
tors. eta vs tors. theta energy: -214.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2272.298852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.298852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.298852 (E_RNA)
where:
Base-Base interactions energy: -1579.045
where: short stacking energy: -701.733
Base-Backbone interact. energy: -1.874
local terms energy: -691.380290
where:
bonds (distance) C4'-P energy: -113.972
bonds (distance) P-C4' energy: -116.532
flat angles C4'-P-C4' energy: -154.119
flat angles P-C4'-P energy: -114.022
tors. eta vs tors. theta energy: -192.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2259.752702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.752702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.752702 (E_RNA)
where:
Base-Base interactions energy: -1578.522
where: short stacking energy: -672.183
Base-Backbone interact. energy: -1.843
local terms energy: -679.387724
where:
bonds (distance) C4'-P energy: -117.834
bonds (distance) P-C4' energy: -119.641
flat angles C4'-P-C4' energy: -151.649
flat angles P-C4'-P energy: -98.612
tors. eta vs tors. theta energy: -191.652
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: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1902.359432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.359432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.359432 (E_RNA)
where:
Base-Base interactions energy: -1266.061
where: short stacking energy: -561.239
Base-Backbone interact. energy: -1.391
local terms energy: -634.908088
where:
bonds (distance) C4'-P energy: -124.060
bonds (distance) P-C4' energy: -122.007
flat angles C4'-P-C4' energy: -128.863
flat angles P-C4'-P energy: -89.556
tors. eta vs tors. theta energy: -170.422
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: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1642.096937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.096937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.096937 (E_RNA)
where:
Base-Base interactions energy: -1106.277
where: short stacking energy: -497.047
Base-Backbone interact. energy: 0.105
local terms energy: -535.924860
where:
bonds (distance) C4'-P energy: -114.905
bonds (distance) P-C4' energy: -106.789
flat angles C4'-P-C4' energy: -136.039
flat angles P-C4'-P energy: -73.017
tors. eta vs tors. theta energy: -105.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1414.028434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.028434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.028434 (E_RNA)
where:
Base-Base interactions energy: -857.471
where: short stacking energy: -402.244
Base-Backbone interact. energy: -1.192
local terms energy: -555.365811
where:
bonds (distance) C4'-P energy: -135.170
bonds (distance) P-C4' energy: -119.535
flat angles C4'-P-C4' energy: -131.083
flat angles P-C4'-P energy: -76.033
tors. eta vs tors. theta energy: -93.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1252.511662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.511662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.511662 (E_RNA)
where:
Base-Base interactions energy: -777.605
where: short stacking energy: -355.722
Base-Backbone interact. energy: -2.318
local terms energy: -472.588906
where:
bonds (distance) C4'-P energy: -122.622
bonds (distance) P-C4' energy: -119.867
flat angles C4'-P-C4' energy: -111.961
flat angles P-C4'-P energy: -61.360
tors. eta vs tors. theta energy: -56.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -862.330431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.330431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.330431 (E_RNA)
where:
Base-Base interactions energy: -472.751
where: short stacking energy: -255.527
Base-Backbone interact. energy: -4.971
local terms energy: -384.609122
where:
bonds (distance) C4'-P energy: -107.109
bonds (distance) P-C4' energy: -122.661
flat angles C4'-P-C4' energy: -94.483
flat angles P-C4'-P energy: -57.998
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2610.113882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.113882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.113882 (E_RNA)
where:
Base-Base interactions energy: -1802.002
where: short stacking energy: -778.782
Base-Backbone interact. energy: -6.137
local terms energy: -801.975027
where:
bonds (distance) C4'-P energy: -145.029
bonds (distance) P-C4' energy: -149.746
flat angles C4'-P-C4' energy: -163.838
flat angles P-C4'-P energy: -111.889
tors. eta vs tors. theta energy: -231.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2422.863513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.863513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.863513 (E_RNA)
where:
Base-Base interactions energy: -1679.535
where: short stacking energy: -698.168
Base-Backbone interact. energy: -0.574
local terms energy: -742.755101
where:
bonds (distance) C4'-P energy: -113.929
bonds (distance) P-C4' energy: -138.880
flat angles C4'-P-C4' energy: -163.989
flat angles P-C4'-P energy: -117.254
tors. eta vs tors. theta energy: -208.703
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: 322
Temperature: 1.000000
Total energy: -2378.899462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.899462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.899462 (E_RNA)
where:
Base-Base interactions energy: -1686.047
where: short stacking energy: -705.211
Base-Backbone interact. energy: 0.057
local terms energy: -692.909725
where:
bonds (distance) C4'-P energy: -125.863
bonds (distance) P-C4' energy: -122.060
flat angles C4'-P-C4' energy: -155.830
flat angles P-C4'-P energy: -86.523
tors. eta vs tors. theta energy: -202.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2305.952126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.952126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.952126 (E_RNA)
where:
Base-Base interactions energy: -1598.061
where: short stacking energy: -675.336
Base-Backbone interact. energy: -3.492
local terms energy: -704.399525
where:
bonds (distance) C4'-P energy: -126.689
bonds (distance) P-C4' energy: -136.678
flat angles C4'-P-C4' energy: -160.956
flat angles P-C4'-P energy: -82.801
tors. eta vs tors. theta energy: -197.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2167.928536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.928536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.928536 (E_RNA)
where:
Base-Base interactions energy: -1508.561
where: short stacking energy: -628.671
Base-Backbone interact. energy: -2.636
local terms energy: -656.731421
where:
bonds (distance) C4'-P energy: -115.859
bonds (distance) P-C4' energy: -134.566
flat angles C4'-P-C4' energy: -143.341
flat angles P-C4'-P energy: -95.147
tors. eta vs tors. theta energy: -167.818
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: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1956.923094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.923094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.923094 (E_RNA)
where:
Base-Base interactions energy: -1298.407
where: short stacking energy: -583.891
Base-Backbone interact. energy: -1.937
local terms energy: -656.579294
where:
bonds (distance) C4'-P energy: -121.594
bonds (distance) P-C4' energy: -134.492
flat angles C4'-P-C4' energy: -134.498
flat angles P-C4'-P energy: -102.061
tors. eta vs tors. theta energy: -163.935
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: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1695.720864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.720864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.720864 (E_RNA)
where:
Base-Base interactions energy: -1115.410
where: short stacking energy: -506.902
Base-Backbone interact. energy: -0.563
local terms energy: -579.747599
where:
bonds (distance) C4'-P energy: -124.487
bonds (distance) P-C4' energy: -128.038
flat angles C4'-P-C4' energy: -131.509
flat angles P-C4'-P energy: -60.466
tors. eta vs tors. theta energy: -135.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1372.145974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.145974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.145974 (E_RNA)
where:
Base-Base interactions energy: -857.055
where: short stacking energy: -413.379
Base-Backbone interact. energy: 3.920
local terms energy: -519.011587
where:
bonds (distance) C4'-P energy: -130.527
bonds (distance) P-C4' energy: -121.086
flat angles C4'-P-C4' energy: -118.884
flat angles P-C4'-P energy: -74.471
tors. eta vs tors. theta energy: -74.044
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: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1259.292205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.292205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.292205 (E_RNA)
where:
Base-Base interactions energy: -773.529
where: short stacking energy: -362.947
Base-Backbone interact. energy: 2.987
local terms energy: -488.750268
where:
bonds (distance) C4'-P energy: -113.564
bonds (distance) P-C4' energy: -129.042
flat angles C4'-P-C4' energy: -116.526
flat angles P-C4'-P energy: -66.838
tors. eta vs tors. theta energy: -62.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -915.121497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.121497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.121497 (E_RNA)
where:
Base-Base interactions energy: -522.057
where: short stacking energy: -247.971
Base-Backbone interact. energy: 2.413
local terms energy: -395.477489
where:
bonds (distance) C4'-P energy: -68.245
bonds (distance) P-C4' energy: -143.134
flat angles C4'-P-C4' energy: -106.716
flat angles P-C4'-P energy: -76.088
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2608.682235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.682235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.682235 (E_RNA)
where:
Base-Base interactions energy: -1815.135
where: short stacking energy: -809.272
Base-Backbone interact. energy: -1.273
local terms energy: -792.273411
where:
bonds (distance) C4'-P energy: -135.146
bonds (distance) P-C4' energy: -136.262
flat angles C4'-P-C4' energy: -156.898
flat angles P-C4'-P energy: -114.189
tors. eta vs tors. theta energy: -249.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2418.094543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.094543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.094543 (E_RNA)
where:
Base-Base interactions energy: -1676.873
where: short stacking energy: -733.443
Base-Backbone interact. energy: 0.981
local terms energy: -742.202424
where:
bonds (distance) C4'-P energy: -140.679
bonds (distance) P-C4' energy: -132.655
flat angles C4'-P-C4' energy: -160.210
flat angles P-C4'-P energy: -99.681
tors. eta vs tors. theta energy: -208.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2370.717789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.717789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.717789 (E_RNA)
where:
Base-Base interactions energy: -1636.335
where: short stacking energy: -715.410
Base-Backbone interact. energy: -0.792
local terms energy: -733.591076
where:
bonds (distance) C4'-P energy: -131.772
bonds (distance) P-C4' energy: -125.188
flat angles C4'-P-C4' energy: -156.702
flat angles P-C4'-P energy: -106.976
tors. eta vs tors. theta energy: -212.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2302.385575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.385575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.385575 (E_RNA)
where:
Base-Base interactions energy: -1596.467
where: short stacking energy: -667.180
Base-Backbone interact. energy: -1.053
local terms energy: -704.865445
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -133.415
flat angles C4'-P-C4' energy: -147.466
flat angles P-C4'-P energy: -105.852
tors. eta vs tors. theta energy: -197.742
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: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2162.001927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.001927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.001927 (E_RNA)
where:
Base-Base interactions energy: -1524.844
where: short stacking energy: -608.145
Base-Backbone interact. energy: -4.113
local terms energy: -633.044667
where:
bonds (distance) C4'-P energy: -110.078
bonds (distance) P-C4' energy: -134.232
flat angles C4'-P-C4' energy: -143.369
flat angles P-C4'-P energy: -76.466
tors. eta vs tors. theta energy: -168.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1981.635068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.635068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.635068 (E_RNA)
where:
Base-Base interactions energy: -1330.483
where: short stacking energy: -591.117
Base-Backbone interact. energy: -6.610
local terms energy: -644.541911
where:
bonds (distance) C4'-P energy: -98.500
bonds (distance) P-C4' energy: -135.915
flat angles C4'-P-C4' energy: -143.387
flat angles P-C4'-P energy: -94.694
tors. eta vs tors. theta energy: -172.045
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: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1658.153378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.153378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.153378 (E_RNA)
where:
Base-Base interactions energy: -1088.300
where: short stacking energy: -476.142
Base-Backbone interact. energy: -2.430
local terms energy: -567.424089
where:
bonds (distance) C4'-P energy: -127.904
bonds (distance) P-C4' energy: -119.503
flat angles C4'-P-C4' energy: -123.024
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -106.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1343.285894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.285894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.285894 (E_RNA)
where:
Base-Base interactions energy: -812.075
where: short stacking energy: -385.765
Base-Backbone interact. energy: -0.779
local terms energy: -530.432335
where:
bonds (distance) C4'-P energy: -129.355
bonds (distance) P-C4' energy: -131.652
flat angles C4'-P-C4' energy: -116.115
flat angles P-C4'-P energy: -82.029
tors. eta vs tors. theta energy: -71.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1256.200780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.200780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.200780 (E_RNA)
where:
Base-Base interactions energy: -796.387
where: short stacking energy: -390.669
Base-Backbone interact. energy: 1.953
local terms energy: -461.767487
where:
bonds (distance) C4'-P energy: -98.260
bonds (distance) P-C4' energy: -108.015
flat angles C4'-P-C4' energy: -110.631
flat angles P-C4'-P energy: -62.766
tors. eta vs tors. theta energy: -82.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -920.666816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.666816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.666816 (E_RNA)
where:
Base-Base interactions energy: -526.232
where: short stacking energy: -257.398
Base-Backbone interact. energy: 3.112
local terms energy: -397.546739
where:
bonds (distance) C4'-P energy: -108.138
bonds (distance) P-C4' energy: -103.361
flat angles C4'-P-C4' energy: -110.352
flat angles P-C4'-P energy: -60.992
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2608.039785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.039785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.039785 (E_RNA)
where:
Base-Base interactions energy: -1787.186
where: short stacking energy: -798.237
Base-Backbone interact. energy: -3.361
local terms energy: -817.493313
where:
bonds (distance) C4'-P energy: -152.124
bonds (distance) P-C4' energy: -150.415
flat angles C4'-P-C4' energy: -168.773
flat angles P-C4'-P energy: -110.157
tors. eta vs tors. theta energy: -236.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2436.485052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.485052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.485052 (E_RNA)
where:
Base-Base interactions energy: -1705.905
where: short stacking energy: -726.328
Base-Backbone interact. energy: -1.666
local terms energy: -728.914697
where:
bonds (distance) C4'-P energy: -126.451
bonds (distance) P-C4' energy: -133.769
flat angles C4'-P-C4' energy: -142.377
flat angles P-C4'-P energy: -109.834
tors. eta vs tors. theta energy: -216.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2385.060392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.060392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.060392 (E_RNA)
where:
Base-Base interactions energy: -1666.383
where: short stacking energy: -677.805
Base-Backbone interact. energy: 1.597
local terms energy: -720.274494
where:
bonds (distance) C4'-P energy: -133.248
bonds (distance) P-C4' energy: -155.786
flat angles C4'-P-C4' energy: -154.261
flat angles P-C4'-P energy: -90.777
tors. eta vs tors. theta energy: -186.202
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: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2287.856045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.856045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.856045 (E_RNA)
where:
Base-Base interactions energy: -1595.711
where: short stacking energy: -656.811
Base-Backbone interact. energy: -0.867
local terms energy: -691.277577
where:
bonds (distance) C4'-P energy: -125.981
bonds (distance) P-C4' energy: -118.800
flat angles C4'-P-C4' energy: -156.616
flat angles P-C4'-P energy: -107.478
tors. eta vs tors. theta energy: -182.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2207.178903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.178903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.178903 (E_RNA)
where:
Base-Base interactions energy: -1563.086
where: short stacking energy: -655.806
Base-Backbone interact. energy: -1.267
local terms energy: -642.825292
where:
bonds (distance) C4'-P energy: -112.657
bonds (distance) P-C4' energy: -109.011
flat angles C4'-P-C4' energy: -147.735
flat angles P-C4'-P energy: -103.354
tors. eta vs tors. theta energy: -170.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1892.894201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.894201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.894201 (E_RNA)
where:
Base-Base interactions energy: -1287.339
where: short stacking energy: -576.746
Base-Backbone interact. energy: 1.003
local terms energy: -606.558649
where:
bonds (distance) C4'-P energy: -119.257
bonds (distance) P-C4' energy: -109.877
flat angles C4'-P-C4' energy: -153.024
flat angles P-C4'-P energy: -71.274
tors. eta vs tors. theta energy: -153.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1660.351443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.351443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.351443 (E_RNA)
where:
Base-Base interactions energy: -1094.678
where: short stacking energy: -492.935
Base-Backbone interact. energy: -1.212
local terms energy: -564.461021
where:
bonds (distance) C4'-P energy: -122.138
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -139.082
flat angles P-C4'-P energy: -77.344
tors. eta vs tors. theta energy: -109.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1330.269560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.269560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.269560 (E_RNA)
where:
Base-Base interactions energy: -807.117
where: short stacking energy: -395.482
Base-Backbone interact. energy: -2.705
local terms energy: -520.447930
where:
bonds (distance) C4'-P energy: -114.198
bonds (distance) P-C4' energy: -106.041
flat angles C4'-P-C4' energy: -125.407
flat angles P-C4'-P energy: -90.559
tors. eta vs tors. theta energy: -84.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1227.925188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.925188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.925188 (E_RNA)
where:
Base-Base interactions energy: -766.497
where: short stacking energy: -360.987
Base-Backbone interact. energy: -0.320
local terms energy: -461.108701
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -112.130
flat angles P-C4'-P energy: -66.406
tors. eta vs tors. theta energy: -52.783
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: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -940.465494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.465494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.465494 (E_RNA)
where:
Base-Base interactions energy: -512.538
where: short stacking energy: -250.315
Base-Backbone interact. energy: 1.024
local terms energy: -428.950966
where:
bonds (distance) C4'-P energy: -116.130
bonds (distance) P-C4' energy: -120.342
flat angles C4'-P-C4' energy: -113.390
flat angles P-C4'-P energy: -60.945
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2625.288174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.288174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.288174 (E_RNA)
where:
Base-Base interactions energy: -1808.096
where: short stacking energy: -813.171
Base-Backbone interact. energy: -4.889
local terms energy: -812.303607
where:
bonds (distance) C4'-P energy: -137.733
bonds (distance) P-C4' energy: -150.316
flat angles C4'-P-C4' energy: -172.021
flat angles P-C4'-P energy: -109.634
tors. eta vs tors. theta energy: -242.599
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: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2462.874247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.874247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.874247 (E_RNA)
where:
Base-Base interactions energy: -1688.685
where: short stacking energy: -736.601
Base-Backbone interact. energy: -2.520
local terms energy: -771.669231
where:
bonds (distance) C4'-P energy: -142.956
bonds (distance) P-C4' energy: -137.653
flat angles C4'-P-C4' energy: -158.381
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -226.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2354.677475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.677475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.677475 (E_RNA)
where:
Base-Base interactions energy: -1660.302
where: short stacking energy: -707.556
Base-Backbone interact. energy: -2.942
local terms energy: -691.433399
where:
bonds (distance) C4'-P energy: -111.563
bonds (distance) P-C4' energy: -134.670
flat angles C4'-P-C4' energy: -156.842
flat angles P-C4'-P energy: -90.195
tors. eta vs tors. theta energy: -198.164
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: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2275.512961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.512961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.512961 (E_RNA)
where:
Base-Base interactions energy: -1602.953
where: short stacking energy: -665.680
Base-Backbone interact. energy: 4.047
local terms energy: -676.606899
where:
bonds (distance) C4'-P energy: -118.843
bonds (distance) P-C4' energy: -128.518
flat angles C4'-P-C4' energy: -143.462
flat angles P-C4'-P energy: -100.251
tors. eta vs tors. theta energy: -185.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2219.355015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.355015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.355015 (E_RNA)
where:
Base-Base interactions energy: -1543.061
where: short stacking energy: -639.975
Base-Backbone interact. energy: -4.818
local terms energy: -671.476642
where:
bonds (distance) C4'-P energy: -129.213
bonds (distance) P-C4' energy: -149.786
flat angles C4'-P-C4' energy: -146.923
flat angles P-C4'-P energy: -80.954
tors. eta vs tors. theta energy: -164.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1933.333904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.333904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.333904 (E_RNA)
where:
Base-Base interactions energy: -1322.699
where: short stacking energy: -577.919
Base-Backbone interact. energy: 1.338
local terms energy: -611.972960
where:
bonds (distance) C4'-P energy: -113.926
bonds (distance) P-C4' energy: -114.071
flat angles C4'-P-C4' energy: -134.642
flat angles P-C4'-P energy: -90.535
tors. eta vs tors. theta energy: -158.799
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: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1663.567164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.567164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.567164 (E_RNA)
where:
Base-Base interactions energy: -1114.300
where: short stacking energy: -472.506
Base-Backbone interact. energy: -2.716
local terms energy: -546.551322
where:
bonds (distance) C4'-P energy: -108.152
bonds (distance) P-C4' energy: -108.996
flat angles C4'-P-C4' energy: -120.436
flat angles P-C4'-P energy: -88.879
tors. eta vs tors. theta energy: -120.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1285.302511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.302511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.302511 (E_RNA)
where:
Base-Base interactions energy: -784.839
where: short stacking energy: -376.913
Base-Backbone interact. energy: -1.030
local terms energy: -499.433047
where:
bonds (distance) C4'-P energy: -121.154
bonds (distance) P-C4' energy: -106.203
flat angles C4'-P-C4' energy: -120.116
flat angles P-C4'-P energy: -86.352
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: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1162.372379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.372379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.372379 (E_RNA)
where:
Base-Base interactions energy: -710.664
where: short stacking energy: -331.915
Base-Backbone interact. energy: 0.944
local terms energy: -452.652457
where:
bonds (distance) C4'-P energy: -128.889
bonds (distance) P-C4' energy: -103.207
flat angles C4'-P-C4' energy: -106.363
flat angles P-C4'-P energy: -64.510
tors. eta vs tors. theta energy: -49.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -907.924155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.924155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.924155 (E_RNA)
where:
Base-Base interactions energy: -493.553
where: short stacking energy: -257.123
Base-Backbone interact. energy: -2.742
local terms energy: -411.628572
where:
bonds (distance) C4'-P energy: -103.967
bonds (distance) P-C4' energy: -130.041
flat angles C4'-P-C4' energy: -115.521
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -5.195
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: 1, replica: 3
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2611.874484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.874484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.874484 (E_RNA)
where:
Base-Base interactions energy: -1809.035
where: short stacking energy: -784.820
Base-Backbone interact. energy: -1.760
local terms energy: -801.078896
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -143.586
flat angles C4'-P-C4' energy: -166.260
flat angles P-C4'-P energy: -115.754
tors. eta vs tors. theta energy: -233.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2410.270926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.270926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.270926 (E_RNA)
where:
Base-Base interactions energy: -1654.108
where: short stacking energy: -684.866
Base-Backbone interact. energy: -2.376
local terms energy: -753.787197
where:
bonds (distance) C4'-P energy: -138.579
bonds (distance) P-C4' energy: -147.514
flat angles C4'-P-C4' energy: -156.068
flat angles P-C4'-P energy: -105.447
tors. eta vs tors. theta energy: -206.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2372.005944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.005944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.005944 (E_RNA)
where:
Base-Base interactions energy: -1649.264
where: short stacking energy: -680.764
Base-Backbone interact. energy: -0.162
local terms energy: -722.580229
where:
bonds (distance) C4'-P energy: -138.875
bonds (distance) P-C4' energy: -148.855
flat angles C4'-P-C4' energy: -152.375
flat angles P-C4'-P energy: -82.260
tors. eta vs tors. theta energy: -200.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2260.534909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.534909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.534909 (E_RNA)
where:
Base-Base interactions energy: -1584.357
where: short stacking energy: -651.625
Base-Backbone interact. energy: -2.181
local terms energy: -673.997106
where:
bonds (distance) C4'-P energy: -129.986
bonds (distance) P-C4' energy: -122.477
flat angles C4'-P-C4' energy: -146.046
flat angles P-C4'-P energy: -89.939
tors. eta vs tors. theta energy: -185.549
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: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2178.305202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.305202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.305202 (E_RNA)
where:
Base-Base interactions energy: -1504.509
where: short stacking energy: -627.046
Base-Backbone interact. energy: 0.339
local terms energy: -674.134957
where:
bonds (distance) C4'-P energy: -127.345
bonds (distance) P-C4' energy: -146.502
flat angles C4'-P-C4' energy: -147.032
flat angles P-C4'-P energy: -89.660
tors. eta vs tors. theta energy: -163.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1959.781472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.781472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.781472 (E_RNA)
where:
Base-Base interactions energy: -1351.076
where: short stacking energy: -594.326
Base-Backbone interact. energy: -4.564
local terms energy: -604.142173
where:
bonds (distance) C4'-P energy: -107.954
bonds (distance) P-C4' energy: -109.335
flat angles C4'-P-C4' energy: -130.827
flat angles P-C4'-P energy: -93.645
tors. eta vs tors. theta energy: -162.380
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: 326
Temperature: 1.200000
Total energy: -1737.626938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.626938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.626938 (E_RNA)
where:
Base-Base interactions energy: -1155.271
where: short stacking energy: -500.279
Base-Backbone interact. energy: -6.605
local terms energy: -575.750573
where:
bonds (distance) C4'-P energy: -119.535
bonds (distance) P-C4' energy: -118.536
flat angles C4'-P-C4' energy: -134.290
flat angles P-C4'-P energy: -84.763
tors. eta vs tors. theta energy: -118.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1355.284519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.284519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.284519 (E_RNA)
where:
Base-Base interactions energy: -819.824
where: short stacking energy: -391.237
Base-Backbone interact. energy: -3.708
local terms energy: -531.753142
where:
bonds (distance) C4'-P energy: -128.371
bonds (distance) P-C4' energy: -132.868
flat angles C4'-P-C4' energy: -114.988
flat angles P-C4'-P energy: -75.455
tors. eta vs tors. theta energy: -80.070
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: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1188.547580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.547580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.547580 (E_RNA)
where:
Base-Base interactions energy: -786.682
where: short stacking energy: -364.936
Base-Backbone interact. energy: 1.331
local terms energy: -403.196505
where:
bonds (distance) C4'-P energy: -95.085
bonds (distance) P-C4' energy: -95.617
flat angles C4'-P-C4' energy: -102.518
flat angles P-C4'-P energy: -59.278
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: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -895.334449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.334449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.334449 (E_RNA)
where:
Base-Base interactions energy: -512.339
where: short stacking energy: -257.943
Base-Backbone interact. energy: 1.416
local terms energy: -384.411829
where:
bonds (distance) C4'-P energy: -109.851
bonds (distance) P-C4' energy: -104.360
flat angles C4'-P-C4' energy: -107.244
flat angles P-C4'-P energy: -54.724
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: 3
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2583.309290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.309290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.309290 (E_RNA)
where:
Base-Base interactions energy: -1781.080
where: short stacking energy: -783.898
Base-Backbone interact. energy: -4.793
local terms energy: -797.436522
where:
bonds (distance) C4'-P energy: -125.057
bonds (distance) P-C4' energy: -141.144
flat angles C4'-P-C4' energy: -164.047
flat angles P-C4'-P energy: -126.440
tors. eta vs tors. theta energy: -240.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2415.280663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.280663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.280663 (E_RNA)
where:
Base-Base interactions energy: -1667.122
where: short stacking energy: -746.549
Base-Backbone interact. energy: -1.193
local terms energy: -746.965241
where:
bonds (distance) C4'-P energy: -141.267
bonds (distance) P-C4' energy: -126.375
flat angles C4'-P-C4' energy: -162.382
flat angles P-C4'-P energy: -97.024
tors. eta vs tors. theta energy: -219.918
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: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2359.715328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.715328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.715328 (E_RNA)
where:
Base-Base interactions energy: -1650.259
where: short stacking energy: -702.061
Base-Backbone interact. energy: -5.681
local terms energy: -703.775238
where:
bonds (distance) C4'-P energy: -124.397
bonds (distance) P-C4' energy: -135.193
flat angles C4'-P-C4' energy: -150.787
flat angles P-C4'-P energy: -97.850
tors. eta vs tors. theta energy: -195.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2289.388313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.388313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.388313 (E_RNA)
where:
Base-Base interactions energy: -1594.785
where: short stacking energy: -652.251
Base-Backbone interact. energy: -1.958
local terms energy: -692.644912
where:
bonds (distance) C4'-P energy: -124.634
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -150.917
flat angles P-C4'-P energy: -91.207
tors. eta vs tors. theta energy: -191.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2172.262393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.262393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.262393 (E_RNA)
where:
Base-Base interactions energy: -1551.321
where: short stacking energy: -619.587
Base-Backbone interact. energy: -1.495
local terms energy: -619.446229
where:
bonds (distance) C4'-P energy: -114.903
bonds (distance) P-C4' energy: -117.954
flat angles C4'-P-C4' energy: -139.320
flat angles P-C4'-P energy: -88.039
tors. eta vs tors. theta energy: -159.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1930.493654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.493654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.493654 (E_RNA)
where:
Base-Base interactions energy: -1302.321
where: short stacking energy: -582.172
Base-Backbone interact. energy: -1.884
local terms energy: -626.288254
where:
bonds (distance) C4'-P energy: -112.038
bonds (distance) P-C4' energy: -130.360
flat angles C4'-P-C4' energy: -138.190
flat angles P-C4'-P energy: -83.342
tors. eta vs tors. theta energy: -162.359
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: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1742.945830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.945830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.945830 (E_RNA)
where:
Base-Base interactions energy: -1189.808
where: short stacking energy: -508.786
Base-Backbone interact. energy: 8.728
local terms energy: -561.865726
where:
bonds (distance) C4'-P energy: -110.955
bonds (distance) P-C4' energy: -134.812
flat angles C4'-P-C4' energy: -125.524
flat angles P-C4'-P energy: -74.752
tors. eta vs tors. theta energy: -115.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1382.917670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.917670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.917670 (E_RNA)
where:
Base-Base interactions energy: -876.107
where: short stacking energy: -414.755
Base-Backbone interact. energy: -2.295
local terms energy: -504.516302
where:
bonds (distance) C4'-P energy: -105.722
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -117.350
flat angles P-C4'-P energy: -78.406
tors. eta vs tors. theta energy: -96.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1265.665022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.665022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.665022 (E_RNA)
where:
Base-Base interactions energy: -787.928
where: short stacking energy: -371.664
Base-Backbone interact. energy: 1.173
local terms energy: -478.910538
where:
bonds (distance) C4'-P energy: -105.519
bonds (distance) P-C4' energy: -125.524
flat angles C4'-P-C4' energy: -112.705
flat angles P-C4'-P energy: -69.987
tors. eta vs tors. theta energy: -65.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -926.693926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.693926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.693926 (E_RNA)
where:
Base-Base interactions energy: -522.354
where: short stacking energy: -261.572
Base-Backbone interact. energy: 0.601
local terms energy: -404.940442
where:
bonds (distance) C4'-P energy: -126.243
bonds (distance) P-C4' energy: -117.470
flat angles C4'-P-C4' energy: -80.462
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2606.085758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.085758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.085758 (E_RNA)
where:
Base-Base interactions energy: -1780.444
where: short stacking energy: -778.100
Base-Backbone interact. energy: -4.587
local terms energy: -821.054099
where:
bonds (distance) C4'-P energy: -150.041
bonds (distance) P-C4' energy: -144.512
flat angles C4'-P-C4' energy: -170.132
flat angles P-C4'-P energy: -111.996
tors. eta vs tors. theta energy: -244.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2439.934479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.934479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.934479 (E_RNA)
where:
Base-Base interactions energy: -1664.958
where: short stacking energy: -715.018
Base-Backbone interact. energy: 0.527
local terms energy: -775.503498
where:
bonds (distance) C4'-P energy: -155.394
bonds (distance) P-C4' energy: -136.636
flat angles C4'-P-C4' energy: -155.794
flat angles P-C4'-P energy: -106.720
tors. eta vs tors. theta energy: -220.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2374.675290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.675290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.675290 (E_RNA)
where:
Base-Base interactions energy: -1641.454
where: short stacking energy: -721.251
Base-Backbone interact. energy: -0.609
local terms energy: -732.611967
where:
bonds (distance) C4'-P energy: -142.238
bonds (distance) P-C4' energy: -129.920
flat angles C4'-P-C4' energy: -151.783
flat angles P-C4'-P energy: -102.450
tors. eta vs tors. theta energy: -206.221
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: 328
Temperature: 1.050000
Total energy: -2305.192434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.192434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.192434 (E_RNA)
where:
Base-Base interactions energy: -1611.378
where: short stacking energy: -682.444
Base-Backbone interact. energy: -2.754
local terms energy: -691.060604
where:
bonds (distance) C4'-P energy: -125.590
bonds (distance) P-C4' energy: -123.885
flat angles C4'-P-C4' energy: -149.075
flat angles P-C4'-P energy: -97.681
tors. eta vs tors. theta energy: -194.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2111.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.772922 (E_RNA)
where:
Base-Base interactions energy: -1464.504
where: short stacking energy: -589.248
Base-Backbone interact. energy: 1.729
local terms energy: -648.998136
where:
bonds (distance) C4'-P energy: -116.087
bonds (distance) P-C4' energy: -127.770
flat angles C4'-P-C4' energy: -145.677
flat angles P-C4'-P energy: -98.771
tors. eta vs tors. theta energy: -160.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2017.978561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.978561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.978561 (E_RNA)
where:
Base-Base interactions energy: -1374.503
where: short stacking energy: -610.988
Base-Backbone interact. energy: 2.471
local terms energy: -645.946863
where:
bonds (distance) C4'-P energy: -122.399
bonds (distance) P-C4' energy: -110.554
flat angles C4'-P-C4' energy: -146.473
flat angles P-C4'-P energy: -88.128
tors. eta vs tors. theta energy: -178.393
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: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1717.710537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.710537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.710537 (E_RNA)
where:
Base-Base interactions energy: -1167.596
where: short stacking energy: -506.635
Base-Backbone interact. energy: 2.964
local terms energy: -553.078462
where:
bonds (distance) C4'-P energy: -110.423
bonds (distance) P-C4' energy: -146.526
flat angles C4'-P-C4' energy: -116.367
flat angles P-C4'-P energy: -57.679
tors. eta vs tors. theta energy: -122.084
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: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1319.452568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.452568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.452568 (E_RNA)
where:
Base-Base interactions energy: -835.495
where: short stacking energy: -393.773
Base-Backbone interact. energy: 0.523
local terms energy: -484.480588
where:
bonds (distance) C4'-P energy: -125.654
bonds (distance) P-C4' energy: -107.572
flat angles C4'-P-C4' energy: -118.073
flat angles P-C4'-P energy: -65.561
tors. eta vs tors. theta energy: -67.621
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1279.133672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.133672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.133672 (E_RNA)
where:
Base-Base interactions energy: -809.109
where: short stacking energy: -387.191
Base-Backbone interact. energy: 4.459
local terms energy: -474.483937
where:
bonds (distance) C4'-P energy: -91.415
bonds (distance) P-C4' energy: -124.144
flat angles C4'-P-C4' energy: -107.472
flat angles P-C4'-P energy: -80.311
tors. eta vs tors. theta energy: -71.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -918.298310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.298310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.298310 (E_RNA)
where:
Base-Base interactions energy: -526.328
where: short stacking energy: -237.304
Base-Backbone interact. energy: 5.493
local terms energy: -397.463210
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -114.888
flat angles C4'-P-C4' energy: -116.053
flat angles P-C4'-P energy: -64.614
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2568.383559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.383559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.383559 (E_RNA)
where:
Base-Base interactions energy: -1779.258
where: short stacking energy: -796.445
Base-Backbone interact. energy: -0.522
local terms energy: -788.603780
where:
bonds (distance) C4'-P energy: -132.104
bonds (distance) P-C4' energy: -134.014
flat angles C4'-P-C4' energy: -170.068
flat angles P-C4'-P energy: -107.811
tors. eta vs tors. theta energy: -244.607
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: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2433.872052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.872052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.872052 (E_RNA)
where:
Base-Base interactions energy: -1682.780
where: short stacking energy: -755.941
Base-Backbone interact. energy: -1.278
local terms energy: -749.813954
where:
bonds (distance) C4'-P energy: -136.351
bonds (distance) P-C4' energy: -151.400
flat angles C4'-P-C4' energy: -147.679
flat angles P-C4'-P energy: -89.000
tors. eta vs tors. theta energy: -225.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2381.479341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.479341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.479341 (E_RNA)
where:
Base-Base interactions energy: -1662.159
where: short stacking energy: -685.463
Base-Backbone interact. energy: -1.862
local terms energy: -717.458442
where:
bonds (distance) C4'-P energy: -135.618
bonds (distance) P-C4' energy: -139.659
flat angles C4'-P-C4' energy: -150.975
flat angles P-C4'-P energy: -97.935
tors. eta vs tors. theta energy: -193.272
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: 329
Temperature: 1.050000
Total energy: -2319.424479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.424479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.424479 (E_RNA)
where:
Base-Base interactions energy: -1617.850
where: short stacking energy: -680.110
Base-Backbone interact. energy: -2.021
local terms energy: -699.553780
where:
bonds (distance) C4'-P energy: -137.130
bonds (distance) P-C4' energy: -124.289
flat angles C4'-P-C4' energy: -145.827
flat angles P-C4'-P energy: -91.202
tors. eta vs tors. theta energy: -201.106
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: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2120.743358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.743358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.743358 (E_RNA)
where:
Base-Base interactions energy: -1466.362
where: short stacking energy: -616.168
Base-Backbone interact. energy: -2.863
local terms energy: -651.518702
where:
bonds (distance) C4'-P energy: -110.358
bonds (distance) P-C4' energy: -127.317
flat angles C4'-P-C4' energy: -144.615
flat angles P-C4'-P energy: -90.880
tors. eta vs tors. theta energy: -178.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1988.577091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.577091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.577091 (E_RNA)
where:
Base-Base interactions energy: -1357.537
where: short stacking energy: -568.716
Base-Backbone interact. energy: 2.540
local terms energy: -633.580358
where:
bonds (distance) C4'-P energy: -113.302
bonds (distance) P-C4' energy: -129.550
flat angles C4'-P-C4' energy: -144.431
flat angles P-C4'-P energy: -91.058
tors. eta vs tors. theta energy: -155.240
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: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1744.682749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.682749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.682749 (E_RNA)
where:
Base-Base interactions energy: -1190.250
where: short stacking energy: -497.536
Base-Backbone interact. energy: -3.351
local terms energy: -551.082444
where:
bonds (distance) C4'-P energy: -113.833
bonds (distance) P-C4' energy: -128.412
flat angles C4'-P-C4' energy: -119.129
flat angles P-C4'-P energy: -68.149
tors. eta vs tors. theta energy: -121.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1294.917282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.917282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.917282 (E_RNA)
where:
Base-Base interactions energy: -776.592
where: short stacking energy: -356.633
Base-Backbone interact. energy: 0.222
local terms energy: -518.548009
where:
bonds (distance) C4'-P energy: -132.962
bonds (distance) P-C4' energy: -115.372
flat angles C4'-P-C4' energy: -124.328
flat angles P-C4'-P energy: -84.602
tors. eta vs tors. theta energy: -61.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1258.432669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.432669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.432669 (E_RNA)
where:
Base-Base interactions energy: -755.848
where: short stacking energy: -356.870
Base-Backbone interact. energy: 1.697
local terms energy: -504.281396
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -115.268
flat angles C4'-P-C4' energy: -120.091
flat angles P-C4'-P energy: -72.294
tors. eta vs tors. theta energy: -68.352
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: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -853.114004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.114004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.114004 (E_RNA)
where:
Base-Base interactions energy: -479.423
where: short stacking energy: -222.294
Base-Backbone interact. energy: 0.073
local terms energy: -373.764317
where:
bonds (distance) C4'-P energy: -120.093
bonds (distance) P-C4' energy: -104.108
flat angles C4'-P-C4' energy: -111.462
flat angles P-C4'-P energy: -47.890
tors. eta vs tors. theta energy: 9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2596.236236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.236236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.236236 (E_RNA)
where:
Base-Base interactions energy: -1799.995
where: short stacking energy: -792.254
Base-Backbone interact. energy: -4.348
local terms energy: -791.892791
where:
bonds (distance) C4'-P energy: -147.555
bonds (distance) P-C4' energy: -143.246
flat angles C4'-P-C4' energy: -165.559
flat angles P-C4'-P energy: -96.052
tors. eta vs tors. theta energy: -239.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2426.932030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.932030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.932030 (E_RNA)
where:
Base-Base interactions energy: -1673.896
where: short stacking energy: -716.781
Base-Backbone interact. energy: -3.364
local terms energy: -749.672447
where:
bonds (distance) C4'-P energy: -136.178
bonds (distance) P-C4' energy: -139.249
flat angles C4'-P-C4' energy: -159.569
flat angles P-C4'-P energy: -97.776
tors. eta vs tors. theta energy: -216.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2374.039642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.039642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.039642 (E_RNA)
where:
Base-Base interactions energy: -1642.050
where: short stacking energy: -703.280
Base-Backbone interact. energy: -2.638
local terms energy: -729.351874
where:
bonds (distance) C4'-P energy: -145.794
bonds (distance) P-C4' energy: -119.823
flat angles C4'-P-C4' energy: -156.869
flat angles P-C4'-P energy: -103.590
tors. eta vs tors. theta energy: -203.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2285.673563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.673563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.673563 (E_RNA)
where:
Base-Base interactions energy: -1596.089
where: short stacking energy: -693.002
Base-Backbone interact. energy: -3.716
local terms energy: -685.869168
where:
bonds (distance) C4'-P energy: -118.493
bonds (distance) P-C4' energy: -118.362
flat angles C4'-P-C4' energy: -145.886
flat angles P-C4'-P energy: -99.804
tors. eta vs tors. theta energy: -203.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2181.649594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.649594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.649594 (E_RNA)
where:
Base-Base interactions energy: -1528.195
where: short stacking energy: -612.058
Base-Backbone interact. energy: -2.313
local terms energy: -651.141193
where:
bonds (distance) C4'-P energy: -122.015
bonds (distance) P-C4' energy: -115.846
flat angles C4'-P-C4' energy: -148.484
flat angles P-C4'-P energy: -100.243
tors. eta vs tors. theta energy: -164.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2003.972617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.972617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.972617 (E_RNA)
where:
Base-Base interactions energy: -1396.407
where: short stacking energy: -591.373
Base-Backbone interact. energy: -0.512
local terms energy: -607.053607
where:
bonds (distance) C4'-P energy: -114.968
bonds (distance) P-C4' energy: -133.399
flat angles C4'-P-C4' energy: -118.548
flat angles P-C4'-P energy: -82.275
tors. eta vs tors. theta energy: -157.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1773.643808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.643808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.643808 (E_RNA)
where:
Base-Base interactions energy: -1190.033
where: short stacking energy: -523.684
Base-Backbone interact. energy: -2.040
local terms energy: -581.571196
where:
bonds (distance) C4'-P energy: -119.407
bonds (distance) P-C4' energy: -125.701
flat angles C4'-P-C4' energy: -128.646
flat angles P-C4'-P energy: -82.287
tors. eta vs tors. theta energy: -125.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1246.194840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.194840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.194840 (E_RNA)
where:
Base-Base interactions energy: -786.971
where: short stacking energy: -369.712
Base-Backbone interact. energy: 1.504
local terms energy: -460.727410
where:
bonds (distance) C4'-P energy: -98.453
bonds (distance) P-C4' energy: -105.882
flat angles C4'-P-C4' energy: -120.675
flat angles P-C4'-P energy: -63.919
tors. eta vs tors. theta energy: -71.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1273.054231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.054231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.054231 (E_RNA)
where:
Base-Base interactions energy: -827.170
where: short stacking energy: -370.674
Base-Backbone interact. energy: 5.435
local terms energy: -451.319180
where:
bonds (distance) C4'-P energy: -97.143
bonds (distance) P-C4' energy: -128.261
flat angles C4'-P-C4' energy: -107.198
flat angles P-C4'-P energy: -55.020
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: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -916.054002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.054002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.054002 (E_RNA)
where:
Base-Base interactions energy: -510.050
where: short stacking energy: -286.014
Base-Backbone interact. energy: -3.986
local terms energy: -402.018035
where:
bonds (distance) C4'-P energy: -95.982
bonds (distance) P-C4' energy: -109.122
flat angles C4'-P-C4' energy: -96.687
flat angles P-C4'-P energy: -65.180
tors. eta vs tors. theta energy: -35.047
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: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2591.939523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.939523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.939523 (E_RNA)
where:
Base-Base interactions energy: -1787.198
where: short stacking energy: -795.031
Base-Backbone interact. energy: -2.218
local terms energy: -802.522980
where:
bonds (distance) C4'-P energy: -141.248
bonds (distance) P-C4' energy: -140.625
flat angles C4'-P-C4' energy: -168.732
flat angles P-C4'-P energy: -108.504
tors. eta vs tors. theta energy: -243.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2431.999546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.999546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.999546 (E_RNA)
where:
Base-Base interactions energy: -1668.327
where: short stacking energy: -720.865
Base-Backbone interact. energy: -3.156
local terms energy: -760.516372
where:
bonds (distance) C4'-P energy: -117.076
bonds (distance) P-C4' energy: -152.399
flat angles C4'-P-C4' energy: -161.474
flat angles P-C4'-P energy: -119.757
tors. eta vs tors. theta energy: -209.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2384.312640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.312640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.312640 (E_RNA)
where:
Base-Base interactions energy: -1629.245
where: short stacking energy: -701.182
Base-Backbone interact. energy: -4.428
local terms energy: -750.639629
where:
bonds (distance) C4'-P energy: -132.507
bonds (distance) P-C4' energy: -142.853
flat angles C4'-P-C4' energy: -155.790
flat angles P-C4'-P energy: -109.586
tors. eta vs tors. theta energy: -209.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2253.170111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.170111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.170111 (E_RNA)
where:
Base-Base interactions energy: -1557.497
where: short stacking energy: -652.733
Base-Backbone interact. energy: -0.288
local terms energy: -695.384974
where:
bonds (distance) C4'-P energy: -127.140
bonds (distance) P-C4' energy: -131.764
flat angles C4'-P-C4' energy: -149.864
flat angles P-C4'-P energy: -91.281
tors. eta vs tors. theta energy: -195.336
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: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2158.898459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.898459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.898459 (E_RNA)
where:
Base-Base interactions energy: -1507.196
where: short stacking energy: -611.742
Base-Backbone interact. energy: -3.849
local terms energy: -647.853916
where:
bonds (distance) C4'-P energy: -106.684
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -162.749
flat angles P-C4'-P energy: -78.691
tors. eta vs tors. theta energy: -172.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2034.087739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.087739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.087739 (E_RNA)
where:
Base-Base interactions energy: -1383.381
where: short stacking energy: -604.943
Base-Backbone interact. energy: -3.582
local terms energy: -647.124470
where:
bonds (distance) C4'-P energy: -127.237
bonds (distance) P-C4' energy: -116.234
flat angles C4'-P-C4' energy: -141.676
flat angles P-C4'-P energy: -88.274
tors. eta vs tors. theta energy: -173.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1760.068989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.068989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.068989 (E_RNA)
where:
Base-Base interactions energy: -1168.292
where: short stacking energy: -511.111
Base-Backbone interact. energy: -1.213
local terms energy: -590.564343
where:
bonds (distance) C4'-P energy: -114.168
bonds (distance) P-C4' energy: -130.046
flat angles C4'-P-C4' energy: -143.433
flat angles P-C4'-P energy: -90.086
tors. eta vs tors. theta energy: -112.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1274.724951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.724951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.724951 (E_RNA)
where:
Base-Base interactions energy: -787.728
where: short stacking energy: -403.436
Base-Backbone interact. energy: -0.920
local terms energy: -486.077048
where:
bonds (distance) C4'-P energy: -117.364
bonds (distance) P-C4' energy: -116.533
flat angles C4'-P-C4' energy: -120.966
flat angles P-C4'-P energy: -58.238
tors. eta vs tors. theta energy: -72.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1241.712637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.712637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.712637 (E_RNA)
where:
Base-Base interactions energy: -808.403
where: short stacking energy: -400.946
Base-Backbone interact. energy: -1.764
local terms energy: -431.546210
where:
bonds (distance) C4'-P energy: -103.513
bonds (distance) P-C4' energy: -111.177
flat angles C4'-P-C4' energy: -98.322
flat angles P-C4'-P energy: -42.121
tors. eta vs tors. theta energy: -76.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -944.930205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.930205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.930205 (E_RNA)
where:
Base-Base interactions energy: -514.607
where: short stacking energy: -274.369
Base-Backbone interact. energy: -2.316
local terms energy: -428.006749
where:
bonds (distance) C4'-P energy: -114.868
bonds (distance) P-C4' energy: -106.743
flat angles C4'-P-C4' energy: -107.101
flat angles P-C4'-P energy: -67.456
tors. eta vs tors. theta energy: -31.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2597.094002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.094002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.094002 (E_RNA)
where:
Base-Base interactions energy: -1798.447
where: short stacking energy: -760.583
Base-Backbone interact. energy: -2.131
local terms energy: -796.515614
where:
bonds (distance) C4'-P energy: -147.600
bonds (distance) P-C4' energy: -137.626
flat angles C4'-P-C4' energy: -168.434
flat angles P-C4'-P energy: -106.876
tors. eta vs tors. theta energy: -235.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2437.492449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.492449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.492449 (E_RNA)
where:
Base-Base interactions energy: -1669.282
where: short stacking energy: -719.139
Base-Backbone interact. energy: -1.098
local terms energy: -767.112319
where:
bonds (distance) C4'-P energy: -121.186
bonds (distance) P-C4' energy: -141.557
flat angles C4'-P-C4' energy: -162.215
flat angles P-C4'-P energy: -120.789
tors. eta vs tors. theta energy: -221.366
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: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2403.710070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.710070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.710070 (E_RNA)
where:
Base-Base interactions energy: -1685.031
where: short stacking energy: -718.117
Base-Backbone interact. energy: -1.152
local terms energy: -717.527688
where:
bonds (distance) C4'-P energy: -117.342
bonds (distance) P-C4' energy: -137.667
flat angles C4'-P-C4' energy: -152.327
flat angles P-C4'-P energy: -97.431
tors. eta vs tors. theta energy: -212.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2317.170174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.170174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.170174 (E_RNA)
where:
Base-Base interactions energy: -1588.012
where: short stacking energy: -673.906
Base-Backbone interact. energy: -0.914
local terms energy: -728.243681
where:
bonds (distance) C4'-P energy: -117.422
bonds (distance) P-C4' energy: -150.086
flat angles C4'-P-C4' energy: -148.492
flat angles P-C4'-P energy: -110.847
tors. eta vs tors. theta energy: -201.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2205.123894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.123894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.123894 (E_RNA)
where:
Base-Base interactions energy: -1541.136
where: short stacking energy: -628.955
Base-Backbone interact. energy: -3.472
local terms energy: -660.516556
where:
bonds (distance) C4'-P energy: -125.843
bonds (distance) P-C4' energy: -120.561
flat angles C4'-P-C4' energy: -159.045
flat angles P-C4'-P energy: -80.292
tors. eta vs tors. theta energy: -174.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2006.858488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.858488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.858488 (E_RNA)
where:
Base-Base interactions energy: -1376.375
where: short stacking energy: -605.691
Base-Backbone interact. energy: -4.178
local terms energy: -626.305419
where:
bonds (distance) C4'-P energy: -118.406
bonds (distance) P-C4' energy: -112.166
flat angles C4'-P-C4' energy: -126.110
flat angles P-C4'-P energy: -96.988
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: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1815.987967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.987967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.987967 (E_RNA)
where:
Base-Base interactions energy: -1196.012
where: short stacking energy: -512.973
Base-Backbone interact. energy: -2.494
local terms energy: -617.482145
where:
bonds (distance) C4'-P energy: -116.204
bonds (distance) P-C4' energy: -132.276
flat angles C4'-P-C4' energy: -122.892
flat angles P-C4'-P energy: -96.431
tors. eta vs tors. theta energy: -149.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1293.280484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.280484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.280484 (E_RNA)
where:
Base-Base interactions energy: -804.086
where: short stacking energy: -357.194
Base-Backbone interact. energy: 0.462
local terms energy: -489.656469
where:
bonds (distance) C4'-P energy: -128.824
bonds (distance) P-C4' energy: -120.484
flat angles C4'-P-C4' energy: -135.185
flat angles P-C4'-P energy: -47.946
tors. eta vs tors. theta energy: -57.218
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: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1177.897712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.897712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.897712 (E_RNA)
where:
Base-Base interactions energy: -701.124
where: short stacking energy: -326.000
Base-Backbone interact. energy: 13.608
local terms energy: -490.381679
where:
bonds (distance) C4'-P energy: -132.883
bonds (distance) P-C4' energy: -138.267
flat angles C4'-P-C4' energy: -87.595
flat angles P-C4'-P energy: -75.616
tors. eta vs tors. theta energy: -56.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -893.386033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.386033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.386033 (E_RNA)
where:
Base-Base interactions energy: -491.486
where: short stacking energy: -255.371
Base-Backbone interact. energy: 3.151
local terms energy: -405.051611
where:
bonds (distance) C4'-P energy: -101.797
bonds (distance) P-C4' energy: -110.867
flat angles C4'-P-C4' energy: -113.009
flat angles P-C4'-P energy: -62.164
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2605.866575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.866575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.866575 (E_RNA)
where:
Base-Base interactions energy: -1795.256
where: short stacking energy: -774.222
Base-Backbone interact. energy: -5.251
local terms energy: -805.359650
where:
bonds (distance) C4'-P energy: -146.545
bonds (distance) P-C4' energy: -138.773
flat angles C4'-P-C4' energy: -161.302
flat angles P-C4'-P energy: -120.643
tors. eta vs tors. theta energy: -238.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2466.392266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.392266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.392266 (E_RNA)
where:
Base-Base interactions energy: -1708.621
where: short stacking energy: -724.964
Base-Backbone interact. energy: -3.548
local terms energy: -754.223909
where:
bonds (distance) C4'-P energy: -135.435
bonds (distance) P-C4' energy: -134.676
flat angles C4'-P-C4' energy: -152.844
flat angles P-C4'-P energy: -110.066
tors. eta vs tors. theta energy: -221.203
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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2382.859391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.859391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.859391 (E_RNA)
where:
Base-Base interactions energy: -1656.506
where: short stacking energy: -712.171
Base-Backbone interact. energy: -0.878
local terms energy: -725.475488
where:
bonds (distance) C4'-P energy: -140.803
bonds (distance) P-C4' energy: -118.035
flat angles C4'-P-C4' energy: -149.042
flat angles P-C4'-P energy: -105.447
tors. eta vs tors. theta energy: -212.149
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: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2287.095423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.095423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.095423 (E_RNA)
where:
Base-Base interactions energy: -1554.794
where: short stacking energy: -700.109
Base-Backbone interact. energy: -4.098
local terms energy: -728.204082
where:
bonds (distance) C4'-P energy: -130.619
bonds (distance) P-C4' energy: -144.274
flat angles C4'-P-C4' energy: -147.809
flat angles P-C4'-P energy: -108.620
tors. eta vs tors. theta energy: -196.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2177.527183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.527183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.527183 (E_RNA)
where:
Base-Base interactions energy: -1522.252
where: short stacking energy: -600.525
Base-Backbone interact. energy: -4.045
local terms energy: -651.230579
where:
bonds (distance) C4'-P energy: -127.188
bonds (distance) P-C4' energy: -130.049
flat angles C4'-P-C4' energy: -141.071
flat angles P-C4'-P energy: -85.279
tors. eta vs tors. theta energy: -167.643
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: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2016.597812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.597812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.597812 (E_RNA)
where:
Base-Base interactions energy: -1377.801
where: short stacking energy: -591.153
Base-Backbone interact. energy: 0.179
local terms energy: -638.975863
where:
bonds (distance) C4'-P energy: -118.482
bonds (distance) P-C4' energy: -135.271
flat angles C4'-P-C4' energy: -149.414
flat angles P-C4'-P energy: -65.843
tors. eta vs tors. theta energy: -169.967
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: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1845.406893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.406893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.406893 (E_RNA)
where:
Base-Base interactions energy: -1237.855
where: short stacking energy: -530.884
Base-Backbone interact. energy: -3.019
local terms energy: -604.533287
where:
bonds (distance) C4'-P energy: -118.246
bonds (distance) P-C4' energy: -139.186
flat angles C4'-P-C4' energy: -124.857
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -130.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1269.354581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.354581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.354581 (E_RNA)
where:
Base-Base interactions energy: -773.222
where: short stacking energy: -371.792
Base-Backbone interact. energy: -2.603
local terms energy: -493.529388
where:
bonds (distance) C4'-P energy: -94.063
bonds (distance) P-C4' energy: -124.687
flat angles C4'-P-C4' energy: -126.801
flat angles P-C4'-P energy: -80.015
tors. eta vs tors. theta energy: -67.964
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: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1160.076176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.076176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.076176 (E_RNA)
where:
Base-Base interactions energy: -719.300
where: short stacking energy: -364.479
Base-Backbone interact. energy: 0.460
local terms energy: -441.236397
where:
bonds (distance) C4'-P energy: -121.469
bonds (distance) P-C4' energy: -99.837
flat angles C4'-P-C4' energy: -113.104
flat angles P-C4'-P energy: -60.637
tors. eta vs tors. theta energy: -46.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -832.588761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.588761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.588761 (E_RNA)
where:
Base-Base interactions energy: -464.758
where: short stacking energy: -249.331
Base-Backbone interact. energy: 4.580
local terms energy: -372.411400
where:
bonds (distance) C4'-P energy: -101.760
bonds (distance) P-C4' energy: -127.750
flat angles C4'-P-C4' energy: -106.040
flat angles P-C4'-P energy: -52.558
tors. eta vs tors. theta energy: 15.696
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: 1, replica: 3
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2577.779813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.779813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.779813 (E_RNA)
where:
Base-Base interactions energy: -1756.934
where: short stacking energy: -779.645
Base-Backbone interact. energy: -3.031
local terms energy: -817.814658
where:
bonds (distance) C4'-P energy: -146.484
bonds (distance) P-C4' energy: -141.987
flat angles C4'-P-C4' energy: -172.654
flat angles P-C4'-P energy: -120.299
tors. eta vs tors. theta energy: -236.391
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2503.173832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.173832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.173832 (E_RNA)
where:
Base-Base interactions energy: -1733.528
where: short stacking energy: -750.676
Base-Backbone interact. energy: -3.548
local terms energy: -766.097613
where:
bonds (distance) C4'-P energy: -137.024
bonds (distance) P-C4' energy: -137.548
flat angles C4'-P-C4' energy: -158.965
flat angles P-C4'-P energy: -116.742
tors. eta vs tors. theta energy: -215.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2380.900930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.900930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.900930 (E_RNA)
where:
Base-Base interactions energy: -1620.005
where: short stacking energy: -707.372
Base-Backbone interact. energy: -1.244
local terms energy: -759.651810
where:
bonds (distance) C4'-P energy: -149.816
bonds (distance) P-C4' energy: -128.655
flat angles C4'-P-C4' energy: -155.518
flat angles P-C4'-P energy: -107.881
tors. eta vs tors. theta energy: -217.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2295.736791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.736791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.736791 (E_RNA)
where:
Base-Base interactions energy: -1608.460
where: short stacking energy: -673.885
Base-Backbone interact. energy: -3.306
local terms energy: -683.970786
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -122.040
flat angles C4'-P-C4' energy: -149.212
flat angles P-C4'-P energy: -101.595
tors. eta vs tors. theta energy: -190.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2160.755237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.755237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.755237 (E_RNA)
where:
Base-Base interactions energy: -1493.610
where: short stacking energy: -597.522
Base-Backbone interact. energy: -3.733
local terms energy: -663.412436
where:
bonds (distance) C4'-P energy: -119.447
bonds (distance) P-C4' energy: -128.752
flat angles C4'-P-C4' energy: -147.241
flat angles P-C4'-P energy: -104.030
tors. eta vs tors. theta energy: -163.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2019.509458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.509458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.509458 (E_RNA)
where:
Base-Base interactions energy: -1354.929
where: short stacking energy: -590.946
Base-Backbone interact. energy: -4.480
local terms energy: -660.101005
where:
bonds (distance) C4'-P energy: -133.544
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -134.228
flat angles P-C4'-P energy: -101.723
tors. eta vs tors. theta energy: -163.284
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: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1832.690399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.690399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.690399 (E_RNA)
where:
Base-Base interactions energy: -1241.138
where: short stacking energy: -520.041
Base-Backbone interact. energy: -0.366
local terms energy: -591.186570
where:
bonds (distance) C4'-P energy: -111.227
bonds (distance) P-C4' energy: -125.929
flat angles C4'-P-C4' energy: -128.919
flat angles P-C4'-P energy: -93.254
tors. eta vs tors. theta energy: -131.858
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: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1238.171439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.171439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.171439 (E_RNA)
where:
Base-Base interactions energy: -720.778
where: short stacking energy: -348.017
Base-Backbone interact. energy: -3.330
local terms energy: -514.063081
where:
bonds (distance) C4'-P energy: -115.968
bonds (distance) P-C4' energy: -130.139
flat angles C4'-P-C4' energy: -129.929
flat angles P-C4'-P energy: -89.472
tors. eta vs tors. theta energy: -48.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1157.009470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.009470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.009470 (E_RNA)
where:
Base-Base interactions energy: -673.325
where: short stacking energy: -351.494
Base-Backbone interact. energy: 0.911
local terms energy: -484.596070
where:
bonds (distance) C4'-P energy: -126.834
bonds (distance) P-C4' energy: -124.827
flat angles C4'-P-C4' energy: -114.410
flat angles P-C4'-P energy: -59.430
tors. eta vs tors. theta energy: -59.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -828.231480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.231480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.231480 (E_RNA)
where:
Base-Base interactions energy: -434.550
where: short stacking energy: -215.049
Base-Backbone interact. energy: 1.365
local terms energy: -395.046879
where:
bonds (distance) C4'-P energy: -95.814
bonds (distance) P-C4' energy: -125.204
flat angles C4'-P-C4' energy: -110.321
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2583.050847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.050847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.050847 (E_RNA)
where:
Base-Base interactions energy: -1786.224
where: short stacking energy: -784.807
Base-Backbone interact. energy: -3.316
local terms energy: -793.510814
where:
bonds (distance) C4'-P energy: -138.909
bonds (distance) P-C4' energy: -140.933
flat angles C4'-P-C4' energy: -158.830
flat angles P-C4'-P energy: -114.006
tors. eta vs tors. theta energy: -240.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2450.680694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.680694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.680694 (E_RNA)
where:
Base-Base interactions energy: -1719.475
where: short stacking energy: -753.525
Base-Backbone interact. energy: 0.709
local terms energy: -731.914874
where:
bonds (distance) C4'-P energy: -120.742
bonds (distance) P-C4' energy: -137.989
flat angles C4'-P-C4' energy: -166.324
flat angles P-C4'-P energy: -88.687
tors. eta vs tors. theta energy: -218.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2389.074162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.074162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.074162 (E_RNA)
where:
Base-Base interactions energy: -1633.779
where: short stacking energy: -708.737
Base-Backbone interact. energy: -3.097
local terms energy: -752.198205
where:
bonds (distance) C4'-P energy: -125.131
bonds (distance) P-C4' energy: -142.320
flat angles C4'-P-C4' energy: -159.878
flat angles P-C4'-P energy: -108.509
tors. eta vs tors. theta energy: -216.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2275.265053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.265053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.265053 (E_RNA)
where:
Base-Base interactions energy: -1574.222
where: short stacking energy: -653.032
Base-Backbone interact. energy: -4.365
local terms energy: -696.677948
where:
bonds (distance) C4'-P energy: -112.485
bonds (distance) P-C4' energy: -141.773
flat angles C4'-P-C4' energy: -152.275
flat angles P-C4'-P energy: -98.129
tors. eta vs tors. theta energy: -192.017
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: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2166.571775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.571775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.571775 (E_RNA)
where:
Base-Base interactions energy: -1504.661
where: short stacking energy: -637.785
Base-Backbone interact. energy: -1.621
local terms energy: -660.289233
where:
bonds (distance) C4'-P energy: -110.570
bonds (distance) P-C4' energy: -114.626
flat angles C4'-P-C4' energy: -155.784
flat angles P-C4'-P energy: -99.449
tors. eta vs tors. theta energy: -179.860
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: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2037.170604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.170604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.170604 (E_RNA)
where:
Base-Base interactions energy: -1379.183
where: short stacking energy: -614.225
Base-Backbone interact. energy: -1.298
local terms energy: -656.689988
where:
bonds (distance) C4'-P energy: -116.585
bonds (distance) P-C4' energy: -123.940
flat angles C4'-P-C4' energy: -148.793
flat angles P-C4'-P energy: -90.594
tors. eta vs tors. theta energy: -176.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1798.596735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.596735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.596735 (E_RNA)
where:
Base-Base interactions energy: -1202.274
where: short stacking energy: -544.383
Base-Backbone interact. energy: -1.015
local terms energy: -595.308203
where:
bonds (distance) C4'-P energy: -126.874
bonds (distance) P-C4' energy: -132.144
flat angles C4'-P-C4' energy: -134.965
flat angles P-C4'-P energy: -64.427
tors. eta vs tors. theta energy: -136.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1310.357006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.357006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.357006 (E_RNA)
where:
Base-Base interactions energy: -836.535
where: short stacking energy: -404.324
Base-Backbone interact. energy: -5.020
local terms energy: -468.802251
where:
bonds (distance) C4'-P energy: -108.737
bonds (distance) P-C4' energy: -110.459
flat angles C4'-P-C4' energy: -115.785
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -77.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1149.482964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.482964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.482964 (E_RNA)
where:
Base-Base interactions energy: -685.752
where: short stacking energy: -307.919
Base-Backbone interact. energy: 2.081
local terms energy: -465.811481
where:
bonds (distance) C4'-P energy: -130.787
bonds (distance) P-C4' energy: -104.178
flat angles C4'-P-C4' energy: -115.911
flat angles P-C4'-P energy: -83.963
tors. eta vs tors. theta energy: -30.972
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: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -845.609435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.609435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.609435 (E_RNA)
where:
Base-Base interactions energy: -469.282
where: short stacking energy: -231.768
Base-Backbone interact. energy: -1.853
local terms energy: -374.474317
where:
bonds (distance) C4'-P energy: -111.751
bonds (distance) P-C4' energy: -118.839
flat angles C4'-P-C4' energy: -101.154
flat angles P-C4'-P energy: -49.281
tors. eta vs tors. theta energy: 6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2565.072890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.072890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.072890 (E_RNA)
where:
Base-Base interactions energy: -1757.448
where: short stacking energy: -766.274
Base-Backbone interact. energy: -2.940
local terms energy: -804.684209
where:
bonds (distance) C4'-P energy: -134.281
bonds (distance) P-C4' energy: -150.286
flat angles C4'-P-C4' energy: -168.946
flat angles P-C4'-P energy: -112.888
tors. eta vs tors. theta energy: -238.282
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: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2463.485039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.485039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.485039 (E_RNA)
where:
Base-Base interactions energy: -1693.251
where: short stacking energy: -734.751
Base-Backbone interact. energy: -2.797
local terms energy: -767.437370
where:
bonds (distance) C4'-P energy: -146.492
bonds (distance) P-C4' energy: -131.868
flat angles C4'-P-C4' energy: -155.125
flat angles P-C4'-P energy: -106.371
tors. eta vs tors. theta energy: -227.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2329.921881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.921881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.921881 (E_RNA)
where:
Base-Base interactions energy: -1599.710
where: short stacking energy: -694.312
Base-Backbone interact. energy: -3.459
local terms energy: -726.753626
where:
bonds (distance) C4'-P energy: -131.001
bonds (distance) P-C4' energy: -151.431
flat angles C4'-P-C4' energy: -153.680
flat angles P-C4'-P energy: -100.629
tors. eta vs tors. theta energy: -190.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2299.968473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.968473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.968473 (E_RNA)
where:
Base-Base interactions energy: -1602.059
where: short stacking energy: -666.679
Base-Backbone interact. energy: -1.845
local terms energy: -696.064883
where:
bonds (distance) C4'-P energy: -131.470
bonds (distance) P-C4' energy: -120.803
flat angles C4'-P-C4' energy: -139.835
flat angles P-C4'-P energy: -103.986
tors. eta vs tors. theta energy: -199.970
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: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2181.271109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.271109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.271109 (E_RNA)
where:
Base-Base interactions energy: -1520.935
where: short stacking energy: -648.225
Base-Backbone interact. energy: -1.557
local terms energy: -658.779747
where:
bonds (distance) C4'-P energy: -127.570
bonds (distance) P-C4' energy: -125.990
flat angles C4'-P-C4' energy: -156.453
flat angles P-C4'-P energy: -81.400
tors. eta vs tors. theta energy: -167.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1983.133088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.133088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.133088 (E_RNA)
where:
Base-Base interactions energy: -1365.295
where: short stacking energy: -608.750
Base-Backbone interact. energy: -0.372
local terms energy: -617.466145
where:
bonds (distance) C4'-P energy: -125.306
bonds (distance) P-C4' energy: -113.308
flat angles C4'-P-C4' energy: -128.113
flat angles P-C4'-P energy: -83.173
tors. eta vs tors. theta energy: -167.566
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: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1799.356644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.356644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.356644 (E_RNA)
where:
Base-Base interactions energy: -1220.468
where: short stacking energy: -471.257
Base-Backbone interact. energy: -2.143
local terms energy: -576.745578
where:
bonds (distance) C4'-P energy: -115.356
bonds (distance) P-C4' energy: -120.089
flat angles C4'-P-C4' energy: -131.002
flat angles P-C4'-P energy: -87.440
tors. eta vs tors. theta energy: -122.858
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: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1344.748628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.748628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.748628 (E_RNA)
where:
Base-Base interactions energy: -810.372
where: short stacking energy: -368.007
Base-Backbone interact. energy: -3.861
local terms energy: -530.515477
where:
bonds (distance) C4'-P energy: -110.781
bonds (distance) P-C4' energy: -137.280
flat angles C4'-P-C4' energy: -125.129
flat angles P-C4'-P energy: -88.266
tors. eta vs tors. theta energy: -69.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1150.232499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.232499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.232499 (E_RNA)
where:
Base-Base interactions energy: -674.089
where: short stacking energy: -326.524
Base-Backbone interact. energy: -2.250
local terms energy: -473.893672
where:
bonds (distance) C4'-P energy: -127.662
bonds (distance) P-C4' energy: -129.298
flat angles C4'-P-C4' energy: -108.131
flat angles P-C4'-P energy: -73.891
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -887.345594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.345594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.345594 (E_RNA)
where:
Base-Base interactions energy: -508.780
where: short stacking energy: -262.317
Base-Backbone interact. energy: -2.013
local terms energy: -376.552501
where:
bonds (distance) C4'-P energy: -101.113
bonds (distance) P-C4' energy: -84.757
flat angles C4'-P-C4' energy: -111.772
flat angles P-C4'-P energy: -53.370
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2577.616185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.616185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.616185 (E_RNA)
where:
Base-Base interactions energy: -1783.406
where: short stacking energy: -782.093
Base-Backbone interact. energy: -2.032
local terms energy: -792.178488
where:
bonds (distance) C4'-P energy: -132.462
bonds (distance) P-C4' energy: -147.717
flat angles C4'-P-C4' energy: -164.885
flat angles P-C4'-P energy: -104.305
tors. eta vs tors. theta energy: -242.810
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: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2465.374343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.374343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.374343 (E_RNA)
where:
Base-Base interactions energy: -1705.163
where: short stacking energy: -721.185
Base-Backbone interact. energy: -1.874
local terms energy: -758.337372
where:
bonds (distance) C4'-P energy: -152.948
bonds (distance) P-C4' energy: -147.904
flat angles C4'-P-C4' energy: -152.878
flat angles P-C4'-P energy: -93.075
tors. eta vs tors. theta energy: -211.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2302.729943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.729943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.729943 (E_RNA)
where:
Base-Base interactions energy: -1612.744
where: short stacking energy: -690.411
Base-Backbone interact. energy: -2.098
local terms energy: -687.888099
where:
bonds (distance) C4'-P energy: -116.750
bonds (distance) P-C4' energy: -129.445
flat angles C4'-P-C4' energy: -149.838
flat angles P-C4'-P energy: -100.661
tors. eta vs tors. theta energy: -191.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2277.873635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.873635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.873635 (E_RNA)
where:
Base-Base interactions energy: -1566.128
where: short stacking energy: -689.930
Base-Backbone interact. energy: 3.032
local terms energy: -714.777320
where:
bonds (distance) C4'-P energy: -129.230
bonds (distance) P-C4' energy: -131.508
flat angles C4'-P-C4' energy: -152.605
flat angles P-C4'-P energy: -99.600
tors. eta vs tors. theta energy: -201.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2158.240030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.240030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.240030 (E_RNA)
where:
Base-Base interactions energy: -1532.639
where: short stacking energy: -627.103
Base-Backbone interact. energy: 0.468
local terms energy: -626.069178
where:
bonds (distance) C4'-P energy: -95.020
bonds (distance) P-C4' energy: -140.731
flat angles C4'-P-C4' energy: -127.869
flat angles P-C4'-P energy: -93.192
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: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1985.270517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.270517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.270517 (E_RNA)
where:
Base-Base interactions energy: -1380.052
where: short stacking energy: -616.118
Base-Backbone interact. energy: -2.936
local terms energy: -602.281785
where:
bonds (distance) C4'-P energy: -111.282
bonds (distance) P-C4' energy: -113.681
flat angles C4'-P-C4' energy: -142.558
flat angles P-C4'-P energy: -85.556
tors. eta vs tors. theta energy: -149.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1919.775933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.775933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.775933 (E_RNA)
where:
Base-Base interactions energy: -1294.456
where: short stacking energy: -531.623
Base-Backbone interact. energy: -4.691
local terms energy: -620.628497
where:
bonds (distance) C4'-P energy: -124.469
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -132.947
flat angles P-C4'-P energy: -94.454
tors. eta vs tors. theta energy: -145.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1303.715468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.715468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.715468 (E_RNA)
where:
Base-Base interactions energy: -820.857
where: short stacking energy: -379.589
Base-Backbone interact. energy: 0.725
local terms energy: -483.582659
where:
bonds (distance) C4'-P energy: -107.960
bonds (distance) P-C4' energy: -115.328
flat angles C4'-P-C4' energy: -125.990
flat angles P-C4'-P energy: -70.166
tors. eta vs tors. theta energy: -64.138
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: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1184.401041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.401041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.401041 (E_RNA)
where:
Base-Base interactions energy: -712.532
where: short stacking energy: -333.752
Base-Backbone interact. energy: 4.200
local terms energy: -476.068455
where:
bonds (distance) C4'-P energy: -121.228
bonds (distance) P-C4' energy: -114.348
flat angles C4'-P-C4' energy: -130.191
flat angles P-C4'-P energy: -63.666
tors. eta vs tors. theta energy: -46.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -895.046941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.046941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.046941 (E_RNA)
where:
Base-Base interactions energy: -518.166
where: short stacking energy: -281.707
Base-Backbone interact. energy: -1.066
local terms energy: -375.815587
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -102.169
flat angles C4'-P-C4' energy: -107.009
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -20.088
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: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2586.279224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.279224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.279224 (E_RNA)
where:
Base-Base interactions energy: -1765.394
where: short stacking energy: -761.675
Base-Backbone interact. energy: -5.920
local terms energy: -814.964519
where:
bonds (distance) C4'-P energy: -150.545
bonds (distance) P-C4' energy: -154.115
flat angles C4'-P-C4' energy: -162.921
flat angles P-C4'-P energy: -113.429
tors. eta vs tors. theta energy: -233.954
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: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2464.328474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.328474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.328474 (E_RNA)
where:
Base-Base interactions energy: -1712.132
where: short stacking energy: -739.585
Base-Backbone interact. energy: -2.178
local terms energy: -750.018158
where:
bonds (distance) C4'-P energy: -123.198
bonds (distance) P-C4' energy: -140.718
flat angles C4'-P-C4' energy: -159.737
flat angles P-C4'-P energy: -111.039
tors. eta vs tors. theta energy: -215.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2329.551491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.551491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.551491 (E_RNA)
where:
Base-Base interactions energy: -1609.031
where: short stacking energy: -693.846
Base-Backbone interact. energy: -3.302
local terms energy: -717.219075
where:
bonds (distance) C4'-P energy: -133.220
bonds (distance) P-C4' energy: -124.071
flat angles C4'-P-C4' energy: -154.908
flat angles P-C4'-P energy: -103.329
tors. eta vs tors. theta energy: -201.691
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: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2270.954655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.954655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.954655 (E_RNA)
where:
Base-Base interactions energy: -1554.787
where: short stacking energy: -665.537
Base-Backbone interact. energy: -1.375
local terms energy: -714.792287
where:
bonds (distance) C4'-P energy: -137.771
bonds (distance) P-C4' energy: -134.997
flat angles C4'-P-C4' energy: -158.106
flat angles P-C4'-P energy: -90.568
tors. eta vs tors. theta energy: -193.350
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: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2167.294986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.294986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.294986 (E_RNA)
where:
Base-Base interactions energy: -1523.782
where: short stacking energy: -613.158
Base-Backbone interact. energy: 2.621
local terms energy: -646.134132
where:
bonds (distance) C4'-P energy: -108.664
bonds (distance) P-C4' energy: -133.470
flat angles C4'-P-C4' energy: -146.682
flat angles P-C4'-P energy: -103.016
tors. eta vs tors. theta energy: -154.302
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: 338
Temperature: 1.150000
Total energy: -1995.412097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.412097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.412097 (E_RNA)
where:
Base-Base interactions energy: -1365.911
where: short stacking energy: -590.997
Base-Backbone interact. energy: -1.328
local terms energy: -628.173233
where:
bonds (distance) C4'-P energy: -116.538
bonds (distance) P-C4' energy: -109.268
flat angles C4'-P-C4' energy: -142.349
flat angles P-C4'-P energy: -90.788
tors. eta vs tors. theta energy: -169.229
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: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1922.843797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.843797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.843797 (E_RNA)
where:
Base-Base interactions energy: -1311.678
where: short stacking energy: -547.700
Base-Backbone interact. energy: -1.519
local terms energy: -609.646973
where:
bonds (distance) C4'-P energy: -121.068
bonds (distance) P-C4' energy: -119.557
flat angles C4'-P-C4' energy: -133.006
flat angles P-C4'-P energy: -82.235
tors. eta vs tors. theta energy: -153.781
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: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1327.585736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.585736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.585736 (E_RNA)
where:
Base-Base interactions energy: -803.897
where: short stacking energy: -377.142
Base-Backbone interact. energy: -7.871
local terms energy: -515.818123
where:
bonds (distance) C4'-P energy: -111.957
bonds (distance) P-C4' energy: -122.159
flat angles C4'-P-C4' energy: -130.866
flat angles P-C4'-P energy: -70.288
tors. eta vs tors. theta energy: -80.549
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: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1153.020639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.020639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.020639 (E_RNA)
where:
Base-Base interactions energy: -725.199
where: short stacking energy: -331.022
Base-Backbone interact. energy: -0.571
local terms energy: -427.251294
where:
bonds (distance) C4'-P energy: -109.631
bonds (distance) P-C4' energy: -119.426
flat angles C4'-P-C4' energy: -108.544
flat angles P-C4'-P energy: -56.726
tors. eta vs tors. theta energy: -32.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -869.960210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.960210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.960210 (E_RNA)
where:
Base-Base interactions energy: -468.529
where: short stacking energy: -251.720
Base-Backbone interact. energy: -0.129
local terms energy: -401.302598
where:
bonds (distance) C4'-P energy: -107.617
bonds (distance) P-C4' energy: -112.637
flat angles C4'-P-C4' energy: -100.310
flat angles P-C4'-P energy: -70.793
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2593.064797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.064797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.064797 (E_RNA)
where:
Base-Base interactions energy: -1800.306
where: short stacking energy: -773.558
Base-Backbone interact. energy: -2.043
local terms energy: -790.715620
where:
bonds (distance) C4'-P energy: -134.974
bonds (distance) P-C4' energy: -153.748
flat angles C4'-P-C4' energy: -164.099
flat angles P-C4'-P energy: -102.955
tors. eta vs tors. theta energy: -234.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2460.046767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.046767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.046767 (E_RNA)
where:
Base-Base interactions energy: -1696.146
where: short stacking energy: -705.197
Base-Backbone interact. energy: -2.207
local terms energy: -761.694563
where:
bonds (distance) C4'-P energy: -130.215
bonds (distance) P-C4' energy: -137.991
flat angles C4'-P-C4' energy: -174.272
flat angles P-C4'-P energy: -107.845
tors. eta vs tors. theta energy: -211.372
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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2386.150316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.150316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.150316 (E_RNA)
where:
Base-Base interactions energy: -1648.499
where: short stacking energy: -685.610
Base-Backbone interact. energy: -2.047
local terms energy: -735.604316
where:
bonds (distance) C4'-P energy: -144.360
bonds (distance) P-C4' energy: -138.291
flat angles C4'-P-C4' energy: -141.762
flat angles P-C4'-P energy: -104.775
tors. eta vs tors. theta energy: -206.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2308.972034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.972034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.972034 (E_RNA)
where:
Base-Base interactions energy: -1568.122
where: short stacking energy: -666.380
Base-Backbone interact. energy: -2.260
local terms energy: -738.589716
where:
bonds (distance) C4'-P energy: -133.137
bonds (distance) P-C4' energy: -162.362
flat angles C4'-P-C4' energy: -154.522
flat angles P-C4'-P energy: -97.460
tors. eta vs tors. theta energy: -191.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2172.488991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.488991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.488991 (E_RNA)
where:
Base-Base interactions energy: -1516.360
where: short stacking energy: -601.410
Base-Backbone interact. energy: -5.082
local terms energy: -651.047183
where:
bonds (distance) C4'-P energy: -128.221
bonds (distance) P-C4' energy: -126.580
flat angles C4'-P-C4' energy: -137.423
flat angles P-C4'-P energy: -97.954
tors. eta vs tors. theta energy: -160.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1988.482194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.482194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.482194 (E_RNA)
where:
Base-Base interactions energy: -1350.238
where: short stacking energy: -577.287
Base-Backbone interact. energy: -4.441
local terms energy: -633.803685
where:
bonds (distance) C4'-P energy: -104.864
bonds (distance) P-C4' energy: -127.907
flat angles C4'-P-C4' energy: -137.509
flat angles P-C4'-P energy: -100.252
tors. eta vs tors. theta energy: -163.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1943.521363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.521363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.521363 (E_RNA)
where:
Base-Base interactions energy: -1331.998
where: short stacking energy: -572.041
Base-Backbone interact. energy: -3.577
local terms energy: -607.946092
where:
bonds (distance) C4'-P energy: -114.544
bonds (distance) P-C4' energy: -125.962
flat angles C4'-P-C4' energy: -129.780
flat angles P-C4'-P energy: -83.042
tors. eta vs tors. theta energy: -154.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1261.629988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.629988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.629988 (E_RNA)
where:
Base-Base interactions energy: -803.612
where: short stacking energy: -367.885
Base-Backbone interact. energy: 1.509
local terms energy: -459.526274
where:
bonds (distance) C4'-P energy: -111.634
bonds (distance) P-C4' energy: -114.274
flat angles C4'-P-C4' energy: -122.258
flat angles P-C4'-P energy: -60.531
tors. eta vs tors. theta energy: -50.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1169.136686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.136686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.136686 (E_RNA)
where:
Base-Base interactions energy: -693.800
where: short stacking energy: -307.372
Base-Backbone interact. energy: -0.384
local terms energy: -474.953103
where:
bonds (distance) C4'-P energy: -121.987
bonds (distance) P-C4' energy: -140.150
flat angles C4'-P-C4' energy: -110.866
flat angles P-C4'-P energy: -65.070
tors. eta vs tors. theta energy: -36.880
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: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -876.912853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.912853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.912853 (E_RNA)
where:
Base-Base interactions energy: -494.033
where: short stacking energy: -248.829
Base-Backbone interact. energy: -2.699
local terms energy: -380.180143
where:
bonds (distance) C4'-P energy: -91.959
bonds (distance) P-C4' energy: -103.969
flat angles C4'-P-C4' energy: -110.502
flat angles P-C4'-P energy: -60.927
tors. eta vs tors. theta energy: -12.823
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: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2616.680864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.680864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.680864 (E_RNA)
where:
Base-Base interactions energy: -1815.764
where: short stacking energy: -792.510
Base-Backbone interact. energy: -5.000
local terms energy: -795.917055
where:
bonds (distance) C4'-P energy: -125.503
bonds (distance) P-C4' energy: -147.197
flat angles C4'-P-C4' energy: -164.343
flat angles P-C4'-P energy: -113.166
tors. eta vs tors. theta energy: -245.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2476.488543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.488543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.488543 (E_RNA)
where:
Base-Base interactions energy: -1720.531
where: short stacking energy: -749.038
Base-Backbone interact. energy: -2.407
local terms energy: -753.550728
where:
bonds (distance) C4'-P energy: -131.581
bonds (distance) P-C4' energy: -135.765
flat angles C4'-P-C4' energy: -158.730
flat angles P-C4'-P energy: -109.399
tors. eta vs tors. theta energy: -218.076
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: 340
Temperature: 1.000000
Total energy: -2380.380550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.380550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.380550 (E_RNA)
where:
Base-Base interactions energy: -1631.073
where: short stacking energy: -701.863
Base-Backbone interact. energy: -4.620
local terms energy: -744.687707
where:
bonds (distance) C4'-P energy: -139.583
bonds (distance) P-C4' energy: -127.739
flat angles C4'-P-C4' energy: -162.076
flat angles P-C4'-P energy: -112.460
tors. eta vs tors. theta energy: -202.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2285.804429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.804429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.804429 (E_RNA)
where:
Base-Base interactions energy: -1560.060
where: short stacking energy: -686.448
Base-Backbone interact. energy: 0.516
local terms energy: -726.260608
where:
bonds (distance) C4'-P energy: -148.697
bonds (distance) P-C4' energy: -127.916
flat angles C4'-P-C4' energy: -157.699
flat angles P-C4'-P energy: -94.855
tors. eta vs tors. theta energy: -197.093
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: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2196.347544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.347544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.347544 (E_RNA)
where:
Base-Base interactions energy: -1529.592
where: short stacking energy: -633.366
Base-Backbone interact. energy: -3.436
local terms energy: -663.319875
where:
bonds (distance) C4'-P energy: -121.106
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -152.732
flat angles P-C4'-P energy: -92.153
tors. eta vs tors. theta energy: -175.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1983.878680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.878680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.878680 (E_RNA)
where:
Base-Base interactions energy: -1349.328
where: short stacking energy: -584.828
Base-Backbone interact. energy: 1.224
local terms energy: -635.775135
where:
bonds (distance) C4'-P energy: -136.696
bonds (distance) P-C4' energy: -125.372
flat angles C4'-P-C4' energy: -129.688
flat angles P-C4'-P energy: -83.526
tors. eta vs tors. theta energy: -160.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1916.908249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.908249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.908249 (E_RNA)
where:
Base-Base interactions energy: -1303.167
where: short stacking energy: -547.431
Base-Backbone interact. energy: -1.287
local terms energy: -612.454048
where:
bonds (distance) C4'-P energy: -123.239
bonds (distance) P-C4' energy: -124.841
flat angles C4'-P-C4' energy: -129.132
flat angles P-C4'-P energy: -91.407
tors. eta vs tors. theta energy: -143.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1399.529979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.529979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.529979 (E_RNA)
where:
Base-Base interactions energy: -900.242
where: short stacking energy: -439.337
Base-Backbone interact. energy: -0.383
local terms energy: -498.905360
where:
bonds (distance) C4'-P energy: -109.098
bonds (distance) P-C4' energy: -137.782
flat angles C4'-P-C4' energy: -119.885
flat angles P-C4'-P energy: -46.474
tors. eta vs tors. theta energy: -85.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1151.864465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.864465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.864465 (E_RNA)
where:
Base-Base interactions energy: -697.886
where: short stacking energy: -343.462
Base-Backbone interact. energy: -1.523
local terms energy: -452.456087
where:
bonds (distance) C4'-P energy: -102.400
bonds (distance) P-C4' energy: -117.375
flat angles C4'-P-C4' energy: -108.556
flat angles P-C4'-P energy: -70.213
tors. eta vs tors. theta energy: -53.913
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: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -918.248541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.248541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.248541 (E_RNA)
where:
Base-Base interactions energy: -507.900
where: short stacking energy: -263.503
Base-Backbone interact. energy: 0.450
local terms energy: -410.797863
where:
bonds (distance) C4'-P energy: -116.088
bonds (distance) P-C4' energy: -113.489
flat angles C4'-P-C4' energy: -91.376
flat angles P-C4'-P energy: -61.352
tors. eta vs tors. theta energy: -28.491
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: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2605.146764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.146764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.146764 (E_RNA)
where:
Base-Base interactions energy: -1793.805
where: short stacking energy: -786.807
Base-Backbone interact. energy: -2.533
local terms energy: -808.808828
where:
bonds (distance) C4'-P energy: -149.003
bonds (distance) P-C4' energy: -135.242
flat angles C4'-P-C4' energy: -170.755
flat angles P-C4'-P energy: -117.899
tors. eta vs tors. theta energy: -235.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2496.857102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.857102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.857102 (E_RNA)
where:
Base-Base interactions energy: -1750.203
where: short stacking energy: -747.177
Base-Backbone interact. energy: -3.535
local terms energy: -743.118812
where:
bonds (distance) C4'-P energy: -120.441
bonds (distance) P-C4' energy: -142.309
flat angles C4'-P-C4' energy: -158.596
flat angles P-C4'-P energy: -100.570
tors. eta vs tors. theta energy: -221.203
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: 341
Temperature: 1.000000
Total energy: -2398.502261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.502261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.502261 (E_RNA)
where:
Base-Base interactions energy: -1668.927
where: short stacking energy: -722.506
Base-Backbone interact. energy: -0.097
local terms energy: -729.478132
where:
bonds (distance) C4'-P energy: -139.275
bonds (distance) P-C4' energy: -130.782
flat angles C4'-P-C4' energy: -158.027
flat angles P-C4'-P energy: -100.991
tors. eta vs tors. theta energy: -200.403
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: 341
Temperature: 1.050000
Total energy: -2299.349607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.349607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.349607 (E_RNA)
where:
Base-Base interactions energy: -1577.117
where: short stacking energy: -685.871
Base-Backbone interact. energy: -3.617
local terms energy: -718.615458
where:
bonds (distance) C4'-P energy: -128.572
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -158.028
flat angles P-C4'-P energy: -103.645
tors. eta vs tors. theta energy: -197.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2157.832306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.832306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.832306 (E_RNA)
where:
Base-Base interactions energy: -1496.447
where: short stacking energy: -600.955
Base-Backbone interact. energy: -0.581
local terms energy: -660.804444
where:
bonds (distance) C4'-P energy: -135.999
bonds (distance) P-C4' energy: -125.249
flat angles C4'-P-C4' energy: -141.601
flat angles P-C4'-P energy: -94.391
tors. eta vs tors. theta energy: -163.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1961.948055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.948055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.948055 (E_RNA)
where:
Base-Base interactions energy: -1337.633
where: short stacking energy: -561.095
Base-Backbone interact. energy: -5.912
local terms energy: -618.402557
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -135.267
flat angles C4'-P-C4' energy: -141.269
flat angles P-C4'-P energy: -79.101
tors. eta vs tors. theta energy: -145.086
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: 341
Temperature: 1.200000
Total energy: -1948.499851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.499851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.499851 (E_RNA)
where:
Base-Base interactions energy: -1343.584
where: short stacking energy: -563.064
Base-Backbone interact. energy: -1.642
local terms energy: -603.273907
where:
bonds (distance) C4'-P energy: -121.779
bonds (distance) P-C4' energy: -135.804
flat angles C4'-P-C4' energy: -131.502
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -136.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1365.632046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.632046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.632046 (E_RNA)
where:
Base-Base interactions energy: -847.853
where: short stacking energy: -388.921
Base-Backbone interact. energy: -2.316
local terms energy: -515.463430
where:
bonds (distance) C4'-P energy: -116.026
bonds (distance) P-C4' energy: -130.504
flat angles C4'-P-C4' energy: -114.422
flat angles P-C4'-P energy: -83.111
tors. eta vs tors. theta energy: -71.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1135.219184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.219184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.219184 (E_RNA)
where:
Base-Base interactions energy: -689.675
where: short stacking energy: -325.843
Base-Backbone interact. energy: 0.376
local terms energy: -445.920872
where:
bonds (distance) C4'-P energy: -114.131
bonds (distance) P-C4' energy: -112.914
flat angles C4'-P-C4' energy: -115.059
flat angles P-C4'-P energy: -58.363
tors. eta vs tors. theta energy: -45.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -903.748006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.748006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.748006 (E_RNA)
where:
Base-Base interactions energy: -541.617
where: short stacking energy: -283.984
Base-Backbone interact. energy: -2.894
local terms energy: -359.236448
where:
bonds (distance) C4'-P energy: -93.094
bonds (distance) P-C4' energy: -106.601
flat angles C4'-P-C4' energy: -81.464
flat angles P-C4'-P energy: -49.881
tors. eta vs tors. theta energy: -28.197
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: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2589.818055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.818055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.818055 (E_RNA)
where:
Base-Base interactions energy: -1834.176
where: short stacking energy: -807.733
Base-Backbone interact. energy: -3.430
local terms energy: -752.211858
where:
bonds (distance) C4'-P energy: -112.420
bonds (distance) P-C4' energy: -148.499
flat angles C4'-P-C4' energy: -150.735
flat angles P-C4'-P energy: -101.757
tors. eta vs tors. theta energy: -238.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2464.025431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.025431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.025431 (E_RNA)
where:
Base-Base interactions energy: -1699.953
where: short stacking energy: -723.926
Base-Backbone interact. energy: -2.863
local terms energy: -761.210072
where:
bonds (distance) C4'-P energy: -144.563
bonds (distance) P-C4' energy: -144.095
flat angles C4'-P-C4' energy: -151.566
flat angles P-C4'-P energy: -110.521
tors. eta vs tors. theta energy: -210.465
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: 342
Temperature: 1.000000
Total energy: -2378.359568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.359568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.359568 (E_RNA)
where:
Base-Base interactions energy: -1663.647
where: short stacking energy: -685.068
Base-Backbone interact. energy: -2.316
local terms energy: -712.396871
where:
bonds (distance) C4'-P energy: -135.186
bonds (distance) P-C4' energy: -137.590
flat angles C4'-P-C4' energy: -153.480
flat angles P-C4'-P energy: -96.978
tors. eta vs tors. theta energy: -189.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2280.753474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.753474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.753474 (E_RNA)
where:
Base-Base interactions energy: -1569.371
where: short stacking energy: -687.021
Base-Backbone interact. energy: -0.192
local terms energy: -711.190507
where:
bonds (distance) C4'-P energy: -114.737
bonds (distance) P-C4' energy: -143.135
flat angles C4'-P-C4' energy: -163.962
flat angles P-C4'-P energy: -83.661
tors. eta vs tors. theta energy: -205.696
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: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2176.884320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.884320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.884320 (E_RNA)
where:
Base-Base interactions energy: -1510.776
where: short stacking energy: -611.261
Base-Backbone interact. energy: -0.496
local terms energy: -665.612846
where:
bonds (distance) C4'-P energy: -111.638
bonds (distance) P-C4' energy: -139.955
flat angles C4'-P-C4' energy: -155.007
flat angles P-C4'-P energy: -89.226
tors. eta vs tors. theta energy: -169.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1977.939846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.939846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.939846 (E_RNA)
where:
Base-Base interactions energy: -1342.687
where: short stacking energy: -556.864
Base-Backbone interact. energy: -3.073
local terms energy: -632.180633
where:
bonds (distance) C4'-P energy: -131.043
bonds (distance) P-C4' energy: -118.501
flat angles C4'-P-C4' energy: -137.366
flat angles P-C4'-P energy: -94.029
tors. eta vs tors. theta energy: -151.241
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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1992.053568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.053568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.053568 (E_RNA)
where:
Base-Base interactions energy: -1371.678
where: short stacking energy: -572.318
Base-Backbone interact. energy: 0.159
local terms energy: -620.533939
where:
bonds (distance) C4'-P energy: -109.566
bonds (distance) P-C4' energy: -117.844
flat angles C4'-P-C4' energy: -144.369
flat angles P-C4'-P energy: -94.705
tors. eta vs tors. theta energy: -154.049
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: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1369.505264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.505264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.505264 (E_RNA)
where:
Base-Base interactions energy: -855.621
where: short stacking energy: -416.483
Base-Backbone interact. energy: 0.633
local terms energy: -514.518007
where:
bonds (distance) C4'-P energy: -115.793
bonds (distance) P-C4' energy: -107.361
flat angles C4'-P-C4' energy: -136.849
flat angles P-C4'-P energy: -73.125
tors. eta vs tors. theta energy: -81.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1188.584877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.584877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.584877 (E_RNA)
where:
Base-Base interactions energy: -734.210
where: short stacking energy: -344.536
Base-Backbone interact. energy: -0.996
local terms energy: -453.378664
where:
bonds (distance) C4'-P energy: -113.494
bonds (distance) P-C4' energy: -99.287
flat angles C4'-P-C4' energy: -114.929
flat angles P-C4'-P energy: -59.154
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -824.004664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.004664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.004664 (E_RNA)
where:
Base-Base interactions energy: -416.476
where: short stacking energy: -210.852
Base-Backbone interact. energy: 0.476
local terms energy: -408.004227
where:
bonds (distance) C4'-P energy: -115.937
bonds (distance) P-C4' energy: -118.744
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -54.505
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2584.666298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.666298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.666298 (E_RNA)
where:
Base-Base interactions energy: -1792.441
where: short stacking energy: -789.946
Base-Backbone interact. energy: -2.936
local terms energy: -789.289283
where:
bonds (distance) C4'-P energy: -135.822
bonds (distance) P-C4' energy: -138.936
flat angles C4'-P-C4' energy: -169.725
flat angles P-C4'-P energy: -102.509
tors. eta vs tors. theta energy: -242.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2472.717910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.717910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.717910 (E_RNA)
where:
Base-Base interactions energy: -1700.996
where: short stacking energy: -715.292
Base-Backbone interact. energy: -3.916
local terms energy: -767.806269
where:
bonds (distance) C4'-P energy: -123.235
bonds (distance) P-C4' energy: -160.820
flat angles C4'-P-C4' energy: -150.078
flat angles P-C4'-P energy: -116.570
tors. eta vs tors. theta energy: -217.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2346.289093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.289093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.289093 (E_RNA)
where:
Base-Base interactions energy: -1627.040
where: short stacking energy: -689.645
Base-Backbone interact. energy: -4.510
local terms energy: -714.739188
where:
bonds (distance) C4'-P energy: -138.430
bonds (distance) P-C4' energy: -135.210
flat angles C4'-P-C4' energy: -152.207
flat angles P-C4'-P energy: -105.539
tors. eta vs tors. theta energy: -183.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2323.860033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.860033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.860033 (E_RNA)
where:
Base-Base interactions energy: -1602.543
where: short stacking energy: -702.817
Base-Backbone interact. energy: 4.887
local terms energy: -726.203977
where:
bonds (distance) C4'-P energy: -112.258
bonds (distance) P-C4' energy: -137.240
flat angles C4'-P-C4' energy: -165.499
flat angles P-C4'-P energy: -103.999
tors. eta vs tors. theta energy: -207.208
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: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2178.666257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.666257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.666257 (E_RNA)
where:
Base-Base interactions energy: -1535.724
where: short stacking energy: -632.480
Base-Backbone interact. energy: -0.466
local terms energy: -642.476138
where:
bonds (distance) C4'-P energy: -105.509
bonds (distance) P-C4' energy: -118.662
flat angles C4'-P-C4' energy: -160.917
flat angles P-C4'-P energy: -98.374
tors. eta vs tors. theta energy: -159.014
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: 343
Temperature: 1.150000
Total energy: -2091.608468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.608468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.608468 (E_RNA)
where:
Base-Base interactions energy: -1440.226
where: short stacking energy: -615.321
Base-Backbone interact. energy: -1.865
local terms energy: -649.517897
where:
bonds (distance) C4'-P energy: -119.514
bonds (distance) P-C4' energy: -116.682
flat angles C4'-P-C4' energy: -153.770
flat angles P-C4'-P energy: -91.679
tors. eta vs tors. theta energy: -167.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1887.031291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.031291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.031291 (E_RNA)
where:
Base-Base interactions energy: -1286.875
where: short stacking energy: -536.646
Base-Backbone interact. energy: -1.026
local terms energy: -599.130057
where:
bonds (distance) C4'-P energy: -126.194
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -130.791
flat angles P-C4'-P energy: -61.208
tors. eta vs tors. theta energy: -150.032
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: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1365.145886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.145886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.145886 (E_RNA)
where:
Base-Base interactions energy: -863.257
where: short stacking energy: -396.489
Base-Backbone interact. energy: -1.822
local terms energy: -500.066208
where:
bonds (distance) C4'-P energy: -117.052
bonds (distance) P-C4' energy: -126.595
flat angles C4'-P-C4' energy: -121.162
flat angles P-C4'-P energy: -65.931
tors. eta vs tors. theta energy: -69.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1136.324131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.324131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.324131 (E_RNA)
where:
Base-Base interactions energy: -685.002
where: short stacking energy: -329.995
Base-Backbone interact. energy: -0.486
local terms energy: -450.836140
where:
bonds (distance) C4'-P energy: -98.130
bonds (distance) P-C4' energy: -123.743
flat angles C4'-P-C4' energy: -122.495
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -42.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -860.735941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.735941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.735941 (E_RNA)
where:
Base-Base interactions energy: -487.294
where: short stacking energy: -258.418
Base-Backbone interact. energy: 1.008
local terms energy: -374.450406
where:
bonds (distance) C4'-P energy: -90.476
bonds (distance) P-C4' energy: -97.185
flat angles C4'-P-C4' energy: -104.986
flat angles P-C4'-P energy: -72.688
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2582.971975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.971975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.971975 (E_RNA)
where:
Base-Base interactions energy: -1789.467
where: short stacking energy: -774.881
Base-Backbone interact. energy: -3.067
local terms energy: -790.438297
where:
bonds (distance) C4'-P energy: -129.024
bonds (distance) P-C4' energy: -141.027
flat angles C4'-P-C4' energy: -167.129
flat angles P-C4'-P energy: -116.141
tors. eta vs tors. theta energy: -237.117
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2483.015351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.015351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.015351 (E_RNA)
where:
Base-Base interactions energy: -1728.383
where: short stacking energy: -726.994
Base-Backbone interact. energy: -3.316
local terms energy: -751.316836
where:
bonds (distance) C4'-P energy: -144.326
bonds (distance) P-C4' energy: -144.020
flat angles C4'-P-C4' energy: -153.872
flat angles P-C4'-P energy: -103.660
tors. eta vs tors. theta energy: -205.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2355.794602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.794602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.794602 (E_RNA)
where:
Base-Base interactions energy: -1627.016
where: short stacking energy: -675.555
Base-Backbone interact. energy: -4.114
local terms energy: -724.664573
where:
bonds (distance) C4'-P energy: -133.678
bonds (distance) P-C4' energy: -139.624
flat angles C4'-P-C4' energy: -156.797
flat angles P-C4'-P energy: -104.126
tors. eta vs tors. theta energy: -190.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2274.983067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.983067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.983067 (E_RNA)
where:
Base-Base interactions energy: -1562.656
where: short stacking energy: -687.205
Base-Backbone interact. energy: -4.071
local terms energy: -708.256272
where:
bonds (distance) C4'-P energy: -125.177
bonds (distance) P-C4' energy: -134.022
flat angles C4'-P-C4' energy: -158.426
flat angles P-C4'-P energy: -92.686
tors. eta vs tors. theta energy: -197.945
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: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2179.468584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.468584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.468584 (E_RNA)
where:
Base-Base interactions energy: -1539.864
where: short stacking energy: -627.128
Base-Backbone interact. energy: -2.202
local terms energy: -637.402365
where:
bonds (distance) C4'-P energy: -98.140
bonds (distance) P-C4' energy: -133.447
flat angles C4'-P-C4' energy: -150.517
flat angles P-C4'-P energy: -89.098
tors. eta vs tors. theta energy: -166.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2052.815340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.815340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.815340 (E_RNA)
where:
Base-Base interactions energy: -1399.301
where: short stacking energy: -576.669
Base-Backbone interact. energy: -0.143
local terms energy: -653.371595
where:
bonds (distance) C4'-P energy: -141.575
bonds (distance) P-C4' energy: -127.143
flat angles C4'-P-C4' energy: -129.655
flat angles P-C4'-P energy: -98.081
tors. eta vs tors. theta energy: -156.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1942.592723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.592723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.592723 (E_RNA)
where:
Base-Base interactions energy: -1320.014
where: short stacking energy: -574.360
Base-Backbone interact. energy: -0.582
local terms energy: -621.997156
where:
bonds (distance) C4'-P energy: -127.300
bonds (distance) P-C4' energy: -123.107
flat angles C4'-P-C4' energy: -132.384
flat angles P-C4'-P energy: -86.641
tors. eta vs tors. theta energy: -152.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1325.244757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.244757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.244757 (E_RNA)
where:
Base-Base interactions energy: -837.655
where: short stacking energy: -364.961
Base-Backbone interact. energy: 0.132
local terms energy: -487.720938
where:
bonds (distance) C4'-P energy: -109.483
bonds (distance) P-C4' energy: -92.548
flat angles C4'-P-C4' energy: -121.646
flat angles P-C4'-P energy: -80.766
tors. eta vs tors. theta energy: -83.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1191.457049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.457049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.457049 (E_RNA)
where:
Base-Base interactions energy: -720.839
where: short stacking energy: -333.760
Base-Backbone interact. energy: 1.874
local terms energy: -472.491986
where:
bonds (distance) C4'-P energy: -123.678
bonds (distance) P-C4' energy: -101.590
flat angles C4'-P-C4' energy: -110.476
flat angles P-C4'-P energy: -69.701
tors. eta vs tors. theta energy: -67.047
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: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -854.074817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.074817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.074817 (E_RNA)
where:
Base-Base interactions energy: -472.880
where: short stacking energy: -236.923
Base-Backbone interact. energy: 2.925
local terms energy: -384.120297
where:
bonds (distance) C4'-P energy: -107.357
bonds (distance) P-C4' energy: -132.196
flat angles C4'-P-C4' energy: -95.532
flat angles P-C4'-P energy: -57.580
tors. eta vs tors. theta energy: 8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2599.984855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.984855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.984855 (E_RNA)
where:
Base-Base interactions energy: -1796.765
where: short stacking energy: -796.188
Base-Backbone interact. energy: -0.876
local terms energy: -802.343785
where:
bonds (distance) C4'-P energy: -138.628
bonds (distance) P-C4' energy: -158.723
flat angles C4'-P-C4' energy: -161.210
flat angles P-C4'-P energy: -105.581
tors. eta vs tors. theta energy: -238.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2506.123448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.123448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.123448 (E_RNA)
where:
Base-Base interactions energy: -1747.664
where: short stacking energy: -723.047
Base-Backbone interact. energy: 0.341
local terms energy: -758.799946
where:
bonds (distance) C4'-P energy: -135.992
bonds (distance) P-C4' energy: -138.469
flat angles C4'-P-C4' energy: -163.060
flat angles P-C4'-P energy: -107.016
tors. eta vs tors. theta energy: -214.263
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2352.939577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.939577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.939577 (E_RNA)
where:
Base-Base interactions energy: -1664.487
where: short stacking energy: -730.034
Base-Backbone interact. energy: -2.835
local terms energy: -685.618155
where:
bonds (distance) C4'-P energy: -113.543
bonds (distance) P-C4' energy: -141.771
flat angles C4'-P-C4' energy: -148.693
flat angles P-C4'-P energy: -86.663
tors. eta vs tors. theta energy: -194.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2289.971968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.971968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.971968 (E_RNA)
where:
Base-Base interactions energy: -1574.578
where: short stacking energy: -680.153
Base-Backbone interact. energy: -2.741
local terms energy: -712.653006
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -125.166
flat angles C4'-P-C4' energy: -159.264
flat angles P-C4'-P energy: -101.867
tors. eta vs tors. theta energy: -203.848
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2147.802440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.802440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.802440 (E_RNA)
where:
Base-Base interactions energy: -1500.857
where: short stacking energy: -600.011
Base-Backbone interact. energy: 1.399
local terms energy: -648.344311
where:
bonds (distance) C4'-P energy: -115.455
bonds (distance) P-C4' energy: -123.600
flat angles C4'-P-C4' energy: -149.440
flat angles P-C4'-P energy: -100.973
tors. eta vs tors. theta energy: -158.875
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: 345
Temperature: 1.150000
Total energy: -2080.635215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.635215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.635215 (E_RNA)
where:
Base-Base interactions energy: -1447.378
where: short stacking energy: -618.139
Base-Backbone interact. energy: -2.391
local terms energy: -630.866569
where:
bonds (distance) C4'-P energy: -122.294
bonds (distance) P-C4' energy: -119.837
flat angles C4'-P-C4' energy: -133.101
flat angles P-C4'-P energy: -90.304
tors. eta vs tors. theta energy: -165.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1852.938455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.938455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.938455 (E_RNA)
where:
Base-Base interactions energy: -1284.348
where: short stacking energy: -536.125
Base-Backbone interact. energy: -2.793
local terms energy: -565.797285
where:
bonds (distance) C4'-P energy: -119.188
bonds (distance) P-C4' energy: -97.155
flat angles C4'-P-C4' energy: -126.505
flat angles P-C4'-P energy: -70.686
tors. eta vs tors. theta energy: -152.264
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: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1307.489421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.489421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.489421 (E_RNA)
where:
Base-Base interactions energy: -812.930
where: short stacking energy: -373.642
Base-Backbone interact. energy: -0.215
local terms energy: -494.344871
where:
bonds (distance) C4'-P energy: -93.418
bonds (distance) P-C4' energy: -120.880
flat angles C4'-P-C4' energy: -123.648
flat angles P-C4'-P energy: -87.911
tors. eta vs tors. theta energy: -68.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1215.689311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.689311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.689311 (E_RNA)
where:
Base-Base interactions energy: -743.508
where: short stacking energy: -369.658
Base-Backbone interact. energy: -0.604
local terms energy: -471.577127
where:
bonds (distance) C4'-P energy: -110.992
bonds (distance) P-C4' energy: -122.346
flat angles C4'-P-C4' energy: -106.118
flat angles P-C4'-P energy: -73.983
tors. eta vs tors. theta energy: -58.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -882.141954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.141954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.141954 (E_RNA)
where:
Base-Base interactions energy: -486.575
where: short stacking energy: -260.609
Base-Backbone interact. energy: 7.244
local terms energy: -402.811246
where:
bonds (distance) C4'-P energy: -114.427
bonds (distance) P-C4' energy: -124.727
flat angles C4'-P-C4' energy: -105.139
flat angles P-C4'-P energy: -42.338
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: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2597.934988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.934988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.934988 (E_RNA)
where:
Base-Base interactions energy: -1772.492
where: short stacking energy: -788.784
Base-Backbone interact. energy: -6.267
local terms energy: -819.175971
where:
bonds (distance) C4'-P energy: -135.433
bonds (distance) P-C4' energy: -152.595
flat angles C4'-P-C4' energy: -167.724
flat angles P-C4'-P energy: -123.219
tors. eta vs tors. theta energy: -240.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2488.479667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.479667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.479667 (E_RNA)
where:
Base-Base interactions energy: -1729.775
where: short stacking energy: -737.267
Base-Backbone interact. energy: 1.857
local terms energy: -760.561986
where:
bonds (distance) C4'-P energy: -145.624
bonds (distance) P-C4' energy: -129.354
flat angles C4'-P-C4' energy: -154.820
flat angles P-C4'-P energy: -117.474
tors. eta vs tors. theta energy: -213.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2367.475961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.475961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.475961 (E_RNA)
where:
Base-Base interactions energy: -1650.150
where: short stacking energy: -699.356
Base-Backbone interact. energy: -4.192
local terms energy: -713.133997
where:
bonds (distance) C4'-P energy: -123.158
bonds (distance) P-C4' energy: -129.567
flat angles C4'-P-C4' energy: -160.108
flat angles P-C4'-P energy: -101.712
tors. eta vs tors. theta energy: -198.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2274.817154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.817154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.817154 (E_RNA)
where:
Base-Base interactions energy: -1569.862
where: short stacking energy: -685.380
Base-Backbone interact. energy: -4.908
local terms energy: -700.046885
where:
bonds (distance) C4'-P energy: -118.469
bonds (distance) P-C4' energy: -129.118
flat angles C4'-P-C4' energy: -152.284
flat angles P-C4'-P energy: -97.260
tors. eta vs tors. theta energy: -202.916
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: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2187.141394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.141394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.141394 (E_RNA)
where:
Base-Base interactions energy: -1554.147
where: short stacking energy: -623.873
Base-Backbone interact. energy: -1.782
local terms energy: -631.212143
where:
bonds (distance) C4'-P energy: -126.854
bonds (distance) P-C4' energy: -110.345
flat angles C4'-P-C4' energy: -145.019
flat angles P-C4'-P energy: -79.455
tors. eta vs tors. theta energy: -169.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2000.969085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.969085 (E_RNA)
where:
Base-Base interactions energy: -1376.033
where: short stacking energy: -576.276
Base-Backbone interact. energy: -2.618
local terms energy: -622.318329
where:
bonds (distance) C4'-P energy: -117.876
bonds (distance) P-C4' energy: -125.310
flat angles C4'-P-C4' energy: -131.749
flat angles P-C4'-P energy: -91.286
tors. eta vs tors. theta energy: -156.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1829.315673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.315673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.315673 (E_RNA)
where:
Base-Base interactions energy: -1220.862
where: short stacking energy: -532.984
Base-Backbone interact. energy: 3.145
local terms energy: -611.598386
where:
bonds (distance) C4'-P energy: -123.512
bonds (distance) P-C4' energy: -114.541
flat angles C4'-P-C4' energy: -121.089
flat angles P-C4'-P energy: -90.106
tors. eta vs tors. theta energy: -162.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1252.244203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.244203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.244203 (E_RNA)
where:
Base-Base interactions energy: -745.027
where: short stacking energy: -356.570
Base-Backbone interact. energy: 0.633
local terms energy: -507.850083
where:
bonds (distance) C4'-P energy: -140.143
bonds (distance) P-C4' energy: -123.547
flat angles C4'-P-C4' energy: -113.427
flat angles P-C4'-P energy: -74.409
tors. eta vs tors. theta energy: -56.323
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: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1152.104848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.104848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.104848 (E_RNA)
where:
Base-Base interactions energy: -708.215
where: short stacking energy: -323.216
Base-Backbone interact. energy: -1.945
local terms energy: -441.945137
where:
bonds (distance) C4'-P energy: -99.929
bonds (distance) P-C4' energy: -118.108
flat angles C4'-P-C4' energy: -96.026
flat angles P-C4'-P energy: -77.317
tors. eta vs tors. theta energy: -50.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -883.409134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.409134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.409134 (E_RNA)
where:
Base-Base interactions energy: -487.943
where: short stacking energy: -223.945
Base-Backbone interact. energy: 2.103
local terms energy: -397.568709
where:
bonds (distance) C4'-P energy: -111.293
bonds (distance) P-C4' energy: -114.785
flat angles C4'-P-C4' energy: -107.313
flat angles P-C4'-P energy: -56.840
tors. eta vs tors. theta energy: -7.338
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: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2605.965616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.965616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.965616 (E_RNA)
where:
Base-Base interactions energy: -1832.414
where: short stacking energy: -786.744
Base-Backbone interact. energy: -3.156
local terms energy: -770.395799
where:
bonds (distance) C4'-P energy: -130.541
bonds (distance) P-C4' energy: -129.409
flat angles C4'-P-C4' energy: -170.528
flat angles P-C4'-P energy: -103.225
tors. eta vs tors. theta energy: -236.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2520.534659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.534659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.534659 (E_RNA)
where:
Base-Base interactions energy: -1741.265
where: short stacking energy: -751.100
Base-Backbone interact. energy: -3.590
local terms energy: -775.679376
where:
bonds (distance) C4'-P energy: -146.318
bonds (distance) P-C4' energy: -139.944
flat angles C4'-P-C4' energy: -163.688
flat angles P-C4'-P energy: -108.834
tors. eta vs tors. theta energy: -216.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2358.130578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.130578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.130578 (E_RNA)
where:
Base-Base interactions energy: -1641.271
where: short stacking energy: -685.084
Base-Backbone interact. energy: -0.316
local terms energy: -716.544115
where:
bonds (distance) C4'-P energy: -132.363
bonds (distance) P-C4' energy: -123.957
flat angles C4'-P-C4' energy: -164.080
flat angles P-C4'-P energy: -101.432
tors. eta vs tors. theta energy: -194.713
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: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2285.145433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.145433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.145433 (E_RNA)
where:
Base-Base interactions energy: -1577.842
where: short stacking energy: -679.317
Base-Backbone interact. energy: -2.578
local terms energy: -704.726209
where:
bonds (distance) C4'-P energy: -130.165
bonds (distance) P-C4' energy: -136.551
flat angles C4'-P-C4' energy: -151.386
flat angles P-C4'-P energy: -84.549
tors. eta vs tors. theta energy: -202.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2219.479522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.479522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.479522 (E_RNA)
where:
Base-Base interactions energy: -1567.165
where: short stacking energy: -642.071
Base-Backbone interact. energy: -5.442
local terms energy: -646.872661
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -137.934
flat angles P-C4'-P energy: -92.743
tors. eta vs tors. theta energy: -171.061
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: 347
Temperature: 1.150000
Total energy: -2063.720808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.720808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.720808 (E_RNA)
where:
Base-Base interactions energy: -1424.279
where: short stacking energy: -611.445
Base-Backbone interact. energy: -1.362
local terms energy: -638.080100
where:
bonds (distance) C4'-P energy: -108.849
bonds (distance) P-C4' energy: -127.423
flat angles C4'-P-C4' energy: -140.111
flat angles P-C4'-P energy: -83.121
tors. eta vs tors. theta energy: -178.576
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: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1795.682377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.682377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.682377 (E_RNA)
where:
Base-Base interactions energy: -1175.963
where: short stacking energy: -518.289
Base-Backbone interact. energy: -1.866
local terms energy: -617.853390
where:
bonds (distance) C4'-P energy: -116.973
bonds (distance) P-C4' energy: -121.225
flat angles C4'-P-C4' energy: -155.186
flat angles P-C4'-P energy: -93.744
tors. eta vs tors. theta energy: -130.725
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: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1253.293902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.293902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.293902 (E_RNA)
where:
Base-Base interactions energy: -782.086
where: short stacking energy: -358.089
Base-Backbone interact. energy: -4.619
local terms energy: -466.588409
where:
bonds (distance) C4'-P energy: -94.167
bonds (distance) P-C4' energy: -136.081
flat angles C4'-P-C4' energy: -103.816
flat angles P-C4'-P energy: -81.789
tors. eta vs tors. theta energy: -50.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1105.840470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.840470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.840470 (E_RNA)
where:
Base-Base interactions energy: -646.495
where: short stacking energy: -342.842
Base-Backbone interact. energy: -0.110
local terms energy: -459.234498
where:
bonds (distance) C4'-P energy: -116.764
bonds (distance) P-C4' energy: -111.512
flat angles C4'-P-C4' energy: -108.507
flat angles P-C4'-P energy: -63.385
tors. eta vs tors. theta energy: -59.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -925.826494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.826494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.826494 (E_RNA)
where:
Base-Base interactions energy: -479.657
where: short stacking energy: -228.333
Base-Backbone interact. energy: -0.534
local terms energy: -445.635026
where:
bonds (distance) C4'-P energy: -130.579
bonds (distance) P-C4' energy: -117.812
flat angles C4'-P-C4' energy: -113.065
flat angles P-C4'-P energy: -81.216
tors. eta vs tors. theta energy: -2.963
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: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2606.490544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.490544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.490544 (E_RNA)
where:
Base-Base interactions energy: -1791.306
where: short stacking energy: -786.861
Base-Backbone interact. energy: -2.710
local terms energy: -812.474731
where:
bonds (distance) C4'-P energy: -147.918
bonds (distance) P-C4' energy: -149.665
flat angles C4'-P-C4' energy: -162.678
flat angles P-C4'-P energy: -107.058
tors. eta vs tors. theta energy: -245.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2525.893973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.893973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.893973 (E_RNA)
where:
Base-Base interactions energy: -1772.558
where: short stacking energy: -754.809
Base-Backbone interact. energy: -2.139
local terms energy: -751.197239
where:
bonds (distance) C4'-P energy: -132.758
bonds (distance) P-C4' energy: -134.238
flat angles C4'-P-C4' energy: -158.030
flat angles P-C4'-P energy: -103.073
tors. eta vs tors. theta energy: -223.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2362.129653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.129653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.129653 (E_RNA)
where:
Base-Base interactions energy: -1631.869
where: short stacking energy: -699.307
Base-Backbone interact. energy: -2.925
local terms energy: -727.335505
where:
bonds (distance) C4'-P energy: -132.968
bonds (distance) P-C4' energy: -127.307
flat angles C4'-P-C4' energy: -154.208
flat angles P-C4'-P energy: -101.891
tors. eta vs tors. theta energy: -210.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2284.272074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.272074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.272074 (E_RNA)
where:
Base-Base interactions energy: -1552.672
where: short stacking energy: -660.526
Base-Backbone interact. energy: -2.627
local terms energy: -728.973685
where:
bonds (distance) C4'-P energy: -127.475
bonds (distance) P-C4' energy: -135.576
flat angles C4'-P-C4' energy: -162.183
flat angles P-C4'-P energy: -99.780
tors. eta vs tors. theta energy: -203.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2210.909119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.909119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.909119 (E_RNA)
where:
Base-Base interactions energy: -1572.803
where: short stacking energy: -629.833
Base-Backbone interact. energy: -2.947
local terms energy: -635.158678
where:
bonds (distance) C4'-P energy: -132.957
bonds (distance) P-C4' energy: -129.608
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -86.816
tors. eta vs tors. theta energy: -156.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2058.820949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.820949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.820949 (E_RNA)
where:
Base-Base interactions energy: -1432.360
where: short stacking energy: -594.925
Base-Backbone interact. energy: -0.602
local terms energy: -625.858885
where:
bonds (distance) C4'-P energy: -118.008
bonds (distance) P-C4' energy: -122.853
flat angles C4'-P-C4' energy: -137.449
flat angles P-C4'-P energy: -89.751
tors. eta vs tors. theta energy: -157.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1841.348635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.348635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.348635 (E_RNA)
where:
Base-Base interactions energy: -1254.258
where: short stacking energy: -542.247
Base-Backbone interact. energy: -2.786
local terms energy: -584.304669
where:
bonds (distance) C4'-P energy: -104.916
bonds (distance) P-C4' energy: -118.226
flat angles C4'-P-C4' energy: -129.291
flat angles P-C4'-P energy: -89.939
tors. eta vs tors. theta energy: -141.932
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: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1289.806727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.806727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.806727 (E_RNA)
where:
Base-Base interactions energy: -822.081
where: short stacking energy: -366.668
Base-Backbone interact. energy: 0.013
local terms energy: -467.739446
where:
bonds (distance) C4'-P energy: -110.280
bonds (distance) P-C4' energy: -101.741
flat angles C4'-P-C4' energy: -112.108
flat angles P-C4'-P energy: -81.474
tors. eta vs tors. theta energy: -62.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1153.406047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.406047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.406047 (E_RNA)
where:
Base-Base interactions energy: -703.598
where: short stacking energy: -343.338
Base-Backbone interact. energy: -0.667
local terms energy: -449.140894
where:
bonds (distance) C4'-P energy: -116.674
bonds (distance) P-C4' energy: -116.141
flat angles C4'-P-C4' energy: -107.543
flat angles P-C4'-P energy: -68.672
tors. eta vs tors. theta energy: -40.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -887.381781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.381781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.381781 (E_RNA)
where:
Base-Base interactions energy: -510.364
where: short stacking energy: -275.989
Base-Backbone interact. energy: -2.120
local terms energy: -374.897425
where:
bonds (distance) C4'-P energy: -109.601
bonds (distance) P-C4' energy: -97.471
flat angles C4'-P-C4' energy: -100.623
flat angles P-C4'-P energy: -57.214
tors. eta vs tors. theta energy: -9.988
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: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2615.567899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.567899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.567899 (E_RNA)
where:
Base-Base interactions energy: -1803.084
where: short stacking energy: -801.937
Base-Backbone interact. energy: -3.009
local terms energy: -809.475050
where:
bonds (distance) C4'-P energy: -137.313
bonds (distance) P-C4' energy: -154.319
flat angles C4'-P-C4' energy: -165.905
flat angles P-C4'-P energy: -109.685
tors. eta vs tors. theta energy: -242.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2521.020062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.020062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.020062 (E_RNA)
where:
Base-Base interactions energy: -1753.068
where: short stacking energy: -745.276
Base-Backbone interact. energy: -2.957
local terms energy: -764.994571
where:
bonds (distance) C4'-P energy: -141.048
bonds (distance) P-C4' energy: -135.772
flat angles C4'-P-C4' energy: -161.560
flat angles P-C4'-P energy: -106.425
tors. eta vs tors. theta energy: -220.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2317.602754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.602754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.602754 (E_RNA)
where:
Base-Base interactions energy: -1603.402
where: short stacking energy: -690.269
Base-Backbone interact. energy: -1.459
local terms energy: -712.741851
where:
bonds (distance) C4'-P energy: -126.033
bonds (distance) P-C4' energy: -150.781
flat angles C4'-P-C4' energy: -143.414
flat angles P-C4'-P energy: -89.956
tors. eta vs tors. theta energy: -202.558
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: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2283.542155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.542155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.542155 (E_RNA)
where:
Base-Base interactions energy: -1606.996
where: short stacking energy: -670.627
Base-Backbone interact. energy: -1.169
local terms energy: -675.377292
where:
bonds (distance) C4'-P energy: -121.922
bonds (distance) P-C4' energy: -135.488
flat angles C4'-P-C4' energy: -142.783
flat angles P-C4'-P energy: -94.118
tors. eta vs tors. theta energy: -181.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2171.034176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.034176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.034176 (E_RNA)
where:
Base-Base interactions energy: -1530.416
where: short stacking energy: -611.632
Base-Backbone interact. energy: -2.150
local terms energy: -638.468483
where:
bonds (distance) C4'-P energy: -121.804
bonds (distance) P-C4' energy: -129.728
flat angles C4'-P-C4' energy: -144.544
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -146.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2046.409653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.409653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.409653 (E_RNA)
where:
Base-Base interactions energy: -1428.085
where: short stacking energy: -611.626
Base-Backbone interact. energy: -0.257
local terms energy: -618.067911
where:
bonds (distance) C4'-P energy: -101.362
bonds (distance) P-C4' energy: -101.229
flat angles C4'-P-C4' energy: -150.536
flat angles P-C4'-P energy: -98.661
tors. eta vs tors. theta energy: -166.279
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: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1906.929163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.929163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.929163 (E_RNA)
where:
Base-Base interactions energy: -1271.388
where: short stacking energy: -560.965
Base-Backbone interact. energy: -1.472
local terms energy: -634.069265
where:
bonds (distance) C4'-P energy: -134.361
bonds (distance) P-C4' energy: -108.668
flat angles C4'-P-C4' energy: -138.176
flat angles P-C4'-P energy: -95.308
tors. eta vs tors. theta energy: -157.556
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: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1318.074491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.074491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.074491 (E_RNA)
where:
Base-Base interactions energy: -826.345
where: short stacking energy: -362.402
Base-Backbone interact. energy: -2.366
local terms energy: -489.363339
where:
bonds (distance) C4'-P energy: -111.237
bonds (distance) P-C4' energy: -113.321
flat angles C4'-P-C4' energy: -117.003
flat angles P-C4'-P energy: -76.038
tors. eta vs tors. theta energy: -71.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1178.314019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.314019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.314019 (E_RNA)
where:
Base-Base interactions energy: -698.162
where: short stacking energy: -361.665
Base-Backbone interact. energy: -0.644
local terms energy: -479.508112
where:
bonds (distance) C4'-P energy: -105.237
bonds (distance) P-C4' energy: -118.606
flat angles C4'-P-C4' energy: -131.393
flat angles P-C4'-P energy: -71.730
tors. eta vs tors. theta energy: -52.541
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: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -881.526470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.526470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.526470 (E_RNA)
where:
Base-Base interactions energy: -492.962
where: short stacking energy: -250.104
Base-Backbone interact. energy: -2.487
local terms energy: -386.078089
where:
bonds (distance) C4'-P energy: -109.948
bonds (distance) P-C4' energy: -115.219
flat angles C4'-P-C4' energy: -111.727
flat angles P-C4'-P energy: -49.171
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2588.993051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.993051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.993051 (E_RNA)
where:
Base-Base interactions energy: -1771.239
where: short stacking energy: -771.069
Base-Backbone interact. energy: -2.995
local terms energy: -814.758704
where:
bonds (distance) C4'-P energy: -140.774
bonds (distance) P-C4' energy: -132.780
flat angles C4'-P-C4' energy: -175.388
flat angles P-C4'-P energy: -122.725
tors. eta vs tors. theta energy: -243.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2478.975691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.975691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.975691 (E_RNA)
where:
Base-Base interactions energy: -1722.299
where: short stacking energy: -746.688
Base-Backbone interact. energy: -0.536
local terms energy: -756.141039
where:
bonds (distance) C4'-P energy: -138.549
bonds (distance) P-C4' energy: -140.925
flat angles C4'-P-C4' energy: -143.717
flat angles P-C4'-P energy: -107.612
tors. eta vs tors. theta energy: -225.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2338.383428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.383428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.383428 (E_RNA)
where:
Base-Base interactions energy: -1596.786
where: short stacking energy: -700.489
Base-Backbone interact. energy: -5.106
local terms energy: -736.492051
where:
bonds (distance) C4'-P energy: -131.083
bonds (distance) P-C4' energy: -142.460
flat angles C4'-P-C4' energy: -156.354
flat angles P-C4'-P energy: -93.390
tors. eta vs tors. theta energy: -213.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2274.247905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.247905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.247905 (E_RNA)
where:
Base-Base interactions energy: -1586.990
where: short stacking energy: -680.028
Base-Backbone interact. energy: 3.283
local terms energy: -690.541607
where:
bonds (distance) C4'-P energy: -117.853
bonds (distance) P-C4' energy: -131.585
flat angles C4'-P-C4' energy: -146.222
flat angles P-C4'-P energy: -97.779
tors. eta vs tors. theta energy: -197.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2179.592848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.592848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.592848 (E_RNA)
where:
Base-Base interactions energy: -1535.556
where: short stacking energy: -618.551
Base-Backbone interact. energy: -2.504
local terms energy: -641.532695
where:
bonds (distance) C4'-P energy: -124.714
bonds (distance) P-C4' energy: -115.051
flat angles C4'-P-C4' energy: -147.141
flat angles P-C4'-P energy: -92.424
tors. eta vs tors. theta energy: -162.203
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: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2092.549568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.549568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.549568 (E_RNA)
where:
Base-Base interactions energy: -1459.035
where: short stacking energy: -622.576
Base-Backbone interact. energy: 0.278
local terms energy: -633.792905
where:
bonds (distance) C4'-P energy: -121.038
bonds (distance) P-C4' energy: -120.668
flat angles C4'-P-C4' energy: -129.649
flat angles P-C4'-P energy: -91.134
tors. eta vs tors. theta energy: -171.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1819.795546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.795546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.795546 (E_RNA)
where:
Base-Base interactions energy: -1207.181
where: short stacking energy: -531.555
Base-Backbone interact. energy: 1.018
local terms energy: -613.632952
where:
bonds (distance) C4'-P energy: -95.583
bonds (distance) P-C4' energy: -138.525
flat angles C4'-P-C4' energy: -138.825
flat angles P-C4'-P energy: -95.727
tors. eta vs tors. theta energy: -144.973
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: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1300.279366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.279366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.279366 (E_RNA)
where:
Base-Base interactions energy: -824.614
where: short stacking energy: -385.776
Base-Backbone interact. energy: -2.979
local terms energy: -472.685866
where:
bonds (distance) C4'-P energy: -99.831
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -122.115
flat angles P-C4'-P energy: -55.255
tors. eta vs tors. theta energy: -60.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1229.323095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.323095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.323095 (E_RNA)
where:
Base-Base interactions energy: -746.310
where: short stacking energy: -352.463
Base-Backbone interact. energy: -1.498
local terms energy: -481.515953
where:
bonds (distance) C4'-P energy: -129.681
bonds (distance) P-C4' energy: -134.398
flat angles C4'-P-C4' energy: -78.436
flat angles P-C4'-P energy: -74.218
tors. eta vs tors. theta energy: -64.783
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: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -944.681458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.681458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.681458 (E_RNA)
where:
Base-Base interactions energy: -516.796
where: short stacking energy: -245.594
Base-Backbone interact. energy: -1.598
local terms energy: -426.286971
where:
bonds (distance) C4'-P energy: -131.389
bonds (distance) P-C4' energy: -102.142
flat angles C4'-P-C4' energy: -109.834
flat angles P-C4'-P energy: -62.290
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2601.081328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.081328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.081328 (E_RNA)
where:
Base-Base interactions energy: -1823.174
where: short stacking energy: -796.952
Base-Backbone interact. energy: -3.074
local terms energy: -774.832955
where:
bonds (distance) C4'-P energy: -132.829
bonds (distance) P-C4' energy: -139.420
flat angles C4'-P-C4' energy: -159.099
flat angles P-C4'-P energy: -97.811
tors. eta vs tors. theta energy: -245.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2509.329146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.329146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.329146 (E_RNA)
where:
Base-Base interactions energy: -1738.375
where: short stacking energy: -756.175
Base-Backbone interact. energy: -3.423
local terms energy: -767.531393
where:
bonds (distance) C4'-P energy: -139.577
bonds (distance) P-C4' energy: -143.773
flat angles C4'-P-C4' energy: -161.418
flat angles P-C4'-P energy: -112.023
tors. eta vs tors. theta energy: -210.741
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: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2353.620940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.620940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.620940 (E_RNA)
where:
Base-Base interactions energy: -1610.267
where: short stacking energy: -715.270
Base-Backbone interact. energy: -3.245
local terms energy: -740.109193
where:
bonds (distance) C4'-P energy: -126.470
bonds (distance) P-C4' energy: -128.672
flat angles C4'-P-C4' energy: -170.570
flat angles P-C4'-P energy: -110.469
tors. eta vs tors. theta energy: -203.929
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: 351
Temperature: 1.050000
Total energy: -2269.350925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.350925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.350925 (E_RNA)
where:
Base-Base interactions energy: -1562.355
where: short stacking energy: -675.645
Base-Backbone interact. energy: -1.398
local terms energy: -705.597997
where:
bonds (distance) C4'-P energy: -122.665
bonds (distance) P-C4' energy: -129.960
flat angles C4'-P-C4' energy: -150.353
flat angles P-C4'-P energy: -101.613
tors. eta vs tors. theta energy: -201.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2201.910553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.910553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.910553 (E_RNA)
where:
Base-Base interactions energy: -1553.122
where: short stacking energy: -611.171
Base-Backbone interact. energy: -1.453
local terms energy: -647.335838
where:
bonds (distance) C4'-P energy: -119.307
bonds (distance) P-C4' energy: -130.960
flat angles C4'-P-C4' energy: -141.342
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -165.290
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: 351
Temperature: 1.150000
Total energy: -2159.272047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.272047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.272047 (E_RNA)
where:
Base-Base interactions energy: -1498.135
where: short stacking energy: -626.344
Base-Backbone interact. energy: 1.176
local terms energy: -662.313171
where:
bonds (distance) C4'-P energy: -113.649
bonds (distance) P-C4' energy: -138.426
flat angles C4'-P-C4' energy: -145.073
flat angles P-C4'-P energy: -82.743
tors. eta vs tors. theta energy: -182.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1851.127468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.127468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.127468 (E_RNA)
where:
Base-Base interactions energy: -1234.380
where: short stacking energy: -562.719
Base-Backbone interact. energy: -1.880
local terms energy: -614.867153
where:
bonds (distance) C4'-P energy: -114.626
bonds (distance) P-C4' energy: -120.053
flat angles C4'-P-C4' energy: -131.520
flat angles P-C4'-P energy: -89.891
tors. eta vs tors. theta energy: -158.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1247.416166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.416166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.416166 (E_RNA)
where:
Base-Base interactions energy: -787.679
where: short stacking energy: -379.984
Base-Backbone interact. energy: -3.737
local terms energy: -456.000490
where:
bonds (distance) C4'-P energy: -108.338
bonds (distance) P-C4' energy: -105.866
flat angles C4'-P-C4' energy: -108.879
flat angles P-C4'-P energy: -77.034
tors. eta vs tors. theta energy: -55.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1189.578690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.578690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.578690 (E_RNA)
where:
Base-Base interactions energy: -720.794
where: short stacking energy: -352.734
Base-Backbone interact. energy: -0.767
local terms energy: -468.017353
where:
bonds (distance) C4'-P energy: -115.817
bonds (distance) P-C4' energy: -126.490
flat angles C4'-P-C4' energy: -112.828
flat angles P-C4'-P energy: -56.920
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: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -894.180721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.180721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.180721 (E_RNA)
where:
Base-Base interactions energy: -491.780
where: short stacking energy: -233.106
Base-Backbone interact. energy: 0.687
local terms energy: -403.088010
where:
bonds (distance) C4'-P energy: -126.554
bonds (distance) P-C4' energy: -111.938
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2606.126896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.126896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.126896 (E_RNA)
where:
Base-Base interactions energy: -1792.894
where: short stacking energy: -761.981
Base-Backbone interact. energy: -3.812
local terms energy: -809.420114
where:
bonds (distance) C4'-P energy: -141.774
bonds (distance) P-C4' energy: -146.941
flat angles C4'-P-C4' energy: -168.577
flat angles P-C4'-P energy: -114.726
tors. eta vs tors. theta energy: -237.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2490.370613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.370613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.370613 (E_RNA)
where:
Base-Base interactions energy: -1736.986
where: short stacking energy: -738.454
Base-Backbone interact. energy: -1.788
local terms energy: -751.596202
where:
bonds (distance) C4'-P energy: -138.482
bonds (distance) P-C4' energy: -141.007
flat angles C4'-P-C4' energy: -157.562
flat angles P-C4'-P energy: -109.023
tors. eta vs tors. theta energy: -205.522
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: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2346.858114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.858114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.858114 (E_RNA)
where:
Base-Base interactions energy: -1598.738
where: short stacking energy: -726.403
Base-Backbone interact. energy: -1.143
local terms energy: -746.976857
where:
bonds (distance) C4'-P energy: -141.031
bonds (distance) P-C4' energy: -145.231
flat angles C4'-P-C4' energy: -161.845
flat angles P-C4'-P energy: -97.078
tors. eta vs tors. theta energy: -201.791
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: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2319.172944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.172944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.172944 (E_RNA)
where:
Base-Base interactions energy: -1620.847
where: short stacking energy: -684.725
Base-Backbone interact. energy: -1.103
local terms energy: -697.223370
where:
bonds (distance) C4'-P energy: -115.856
bonds (distance) P-C4' energy: -127.164
flat angles C4'-P-C4' energy: -151.625
flat angles P-C4'-P energy: -103.673
tors. eta vs tors. theta energy: -198.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2261.681189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.681189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.681189 (E_RNA)
where:
Base-Base interactions energy: -1653.263
where: short stacking energy: -664.275
Base-Backbone interact. energy: -2.472
local terms energy: -605.946404
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -126.120
flat angles C4'-P-C4' energy: -133.215
flat angles P-C4'-P energy: -59.300
tors. eta vs tors. theta energy: -175.562
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: 352
Temperature: 1.150000
Total energy: -2113.346152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.346152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.346152 (E_RNA)
where:
Base-Base interactions energy: -1461.656
where: short stacking energy: -604.088
Base-Backbone interact. energy: -0.882
local terms energy: -650.808329
where:
bonds (distance) C4'-P energy: -128.525
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -142.044
flat angles P-C4'-P energy: -85.737
tors. eta vs tors. theta energy: -166.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1787.932915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.932915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.932915 (E_RNA)
where:
Base-Base interactions energy: -1188.880
where: short stacking energy: -553.626
Base-Backbone interact. energy: -2.257
local terms energy: -596.795987
where:
bonds (distance) C4'-P energy: -110.342
bonds (distance) P-C4' energy: -122.322
flat angles C4'-P-C4' energy: -127.102
flat angles P-C4'-P energy: -84.527
tors. eta vs tors. theta energy: -152.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1280.453855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.453855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.453855 (E_RNA)
where:
Base-Base interactions energy: -757.733
where: short stacking energy: -359.489
Base-Backbone interact. energy: -3.154
local terms energy: -519.567518
where:
bonds (distance) C4'-P energy: -125.013
bonds (distance) P-C4' energy: -129.526
flat angles C4'-P-C4' energy: -115.214
flat angles P-C4'-P energy: -76.378
tors. eta vs tors. theta energy: -73.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1214.137487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.137487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.137487 (E_RNA)
where:
Base-Base interactions energy: -757.519
where: short stacking energy: -366.258
Base-Backbone interact. energy: -1.740
local terms energy: -454.878306
where:
bonds (distance) C4'-P energy: -118.544
bonds (distance) P-C4' energy: -115.352
flat angles C4'-P-C4' energy: -113.791
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -57.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -930.978963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.978963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.978963 (E_RNA)
where:
Base-Base interactions energy: -492.557
where: short stacking energy: -267.362
Base-Backbone interact. energy: -3.783
local terms energy: -434.638746
where:
bonds (distance) C4'-P energy: -112.697
bonds (distance) P-C4' energy: -134.585
flat angles C4'-P-C4' energy: -117.556
flat angles P-C4'-P energy: -56.526
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: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2620.616567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.616567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.616567 (E_RNA)
where:
Base-Base interactions energy: -1811.755
where: short stacking energy: -795.317
Base-Backbone interact. energy: -0.683
local terms energy: -808.178707
where:
bonds (distance) C4'-P energy: -141.619
bonds (distance) P-C4' energy: -149.970
flat angles C4'-P-C4' energy: -168.324
flat angles P-C4'-P energy: -108.279
tors. eta vs tors. theta energy: -239.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2498.204727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.204727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.204727 (E_RNA)
where:
Base-Base interactions energy: -1724.261
where: short stacking energy: -710.413
Base-Backbone interact. energy: 2.989
local terms energy: -776.933099
where:
bonds (distance) C4'-P energy: -139.934
bonds (distance) P-C4' energy: -144.057
flat angles C4'-P-C4' energy: -171.895
flat angles P-C4'-P energy: -113.870
tors. eta vs tors. theta energy: -207.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2347.824308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.824308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.824308 (E_RNA)
where:
Base-Base interactions energy: -1591.397
where: short stacking energy: -696.578
Base-Backbone interact. energy: -4.751
local terms energy: -751.676690
where:
bonds (distance) C4'-P energy: -136.053
bonds (distance) P-C4' energy: -142.979
flat angles C4'-P-C4' energy: -159.160
flat angles P-C4'-P energy: -106.771
tors. eta vs tors. theta energy: -206.714
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: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2250.122336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.122336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.122336 (E_RNA)
where:
Base-Base interactions energy: -1577.485
where: short stacking energy: -658.263
Base-Backbone interact. energy: -0.397
local terms energy: -672.239720
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -126.180
flat angles C4'-P-C4' energy: -148.573
flat angles P-C4'-P energy: -95.089
tors. eta vs tors. theta energy: -191.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2233.726447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.726447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.726447 (E_RNA)
where:
Base-Base interactions energy: -1586.869
where: short stacking energy: -627.439
Base-Backbone interact. energy: 4.971
local terms energy: -651.828488
where:
bonds (distance) C4'-P energy: -124.354
bonds (distance) P-C4' energy: -132.268
flat angles C4'-P-C4' energy: -143.741
flat angles P-C4'-P energy: -83.291
tors. eta vs tors. theta energy: -168.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2109.280156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.280156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.280156 (E_RNA)
where:
Base-Base interactions energy: -1457.343
where: short stacking energy: -627.077
Base-Backbone interact. energy: 1.226
local terms energy: -653.163105
where:
bonds (distance) C4'-P energy: -117.805
bonds (distance) P-C4' energy: -132.252
flat angles C4'-P-C4' energy: -138.154
flat angles P-C4'-P energy: -85.598
tors. eta vs tors. theta energy: -179.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1744.500901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.500901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.500901 (E_RNA)
where:
Base-Base interactions energy: -1151.182
where: short stacking energy: -516.528
Base-Backbone interact. energy: -3.617
local terms energy: -589.702152
where:
bonds (distance) C4'-P energy: -111.093
bonds (distance) P-C4' energy: -132.747
flat angles C4'-P-C4' energy: -137.990
flat angles P-C4'-P energy: -73.952
tors. eta vs tors. theta energy: -133.920
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1315.941681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.941681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.941681 (E_RNA)
where:
Base-Base interactions energy: -809.986
where: short stacking energy: -375.598
Base-Backbone interact. energy: -1.535
local terms energy: -504.421157
where:
bonds (distance) C4'-P energy: -123.443
bonds (distance) P-C4' energy: -119.595
flat angles C4'-P-C4' energy: -114.693
flat angles P-C4'-P energy: -76.933
tors. eta vs tors. theta energy: -69.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1247.783216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.783216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.783216 (E_RNA)
where:
Base-Base interactions energy: -782.269
where: short stacking energy: -372.429
Base-Backbone interact. energy: -3.183
local terms energy: -462.331513
where:
bonds (distance) C4'-P energy: -111.215
bonds (distance) P-C4' energy: -108.232
flat angles C4'-P-C4' energy: -75.627
flat angles P-C4'-P energy: -89.218
tors. eta vs tors. theta energy: -78.040
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: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -927.885508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.885508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.885508 (E_RNA)
where:
Base-Base interactions energy: -509.737
where: short stacking energy: -272.418
Base-Backbone interact. energy: 1.597
local terms energy: -419.745801
where:
bonds (distance) C4'-P energy: -101.519
bonds (distance) P-C4' energy: -115.400
flat angles C4'-P-C4' energy: -102.117
flat angles P-C4'-P energy: -56.573
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2613.300409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.300409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.300409 (E_RNA)
where:
Base-Base interactions energy: -1797.087
where: short stacking energy: -785.374
Base-Backbone interact. energy: -4.379
local terms energy: -811.835071
where:
bonds (distance) C4'-P energy: -140.429
bonds (distance) P-C4' energy: -146.435
flat angles C4'-P-C4' energy: -166.137
flat angles P-C4'-P energy: -110.836
tors. eta vs tors. theta energy: -247.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2491.924738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.924738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.924738 (E_RNA)
where:
Base-Base interactions energy: -1733.415
where: short stacking energy: -747.540
Base-Backbone interact. energy: 0.529
local terms energy: -759.038507
where:
bonds (distance) C4'-P energy: -130.665
bonds (distance) P-C4' energy: -142.111
flat angles C4'-P-C4' energy: -162.926
flat angles P-C4'-P energy: -111.831
tors. eta vs tors. theta energy: -211.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2318.748067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.748067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.748067 (E_RNA)
where:
Base-Base interactions energy: -1573.696
where: short stacking energy: -669.242
Base-Backbone interact. energy: -1.570
local terms energy: -743.482555
where:
bonds (distance) C4'-P energy: -138.251
bonds (distance) P-C4' energy: -147.997
flat angles C4'-P-C4' energy: -157.881
flat angles P-C4'-P energy: -98.287
tors. eta vs tors. theta energy: -201.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2252.575554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.575554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.575554 (E_RNA)
where:
Base-Base interactions energy: -1557.487
where: short stacking energy: -651.153
Base-Backbone interact. energy: -0.686
local terms energy: -694.402667
where:
bonds (distance) C4'-P energy: -137.692
bonds (distance) P-C4' energy: -118.249
flat angles C4'-P-C4' energy: -150.778
flat angles P-C4'-P energy: -95.779
tors. eta vs tors. theta energy: -191.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2194.717859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.717859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.717859 (E_RNA)
where:
Base-Base interactions energy: -1528.455
where: short stacking energy: -612.956
Base-Backbone interact. energy: 1.044
local terms energy: -667.306828
where:
bonds (distance) C4'-P energy: -118.109
bonds (distance) P-C4' energy: -123.115
flat angles C4'-P-C4' energy: -147.826
flat angles P-C4'-P energy: -111.278
tors. eta vs tors. theta energy: -166.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2081.479001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.479001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.479001 (E_RNA)
where:
Base-Base interactions energy: -1429.735
where: short stacking energy: -615.004
Base-Backbone interact. energy: -2.708
local terms energy: -649.035691
where:
bonds (distance) C4'-P energy: -131.513
bonds (distance) P-C4' energy: -123.255
flat angles C4'-P-C4' energy: -135.895
flat angles P-C4'-P energy: -90.010
tors. eta vs tors. theta energy: -168.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1723.379399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.379399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.379399 (E_RNA)
where:
Base-Base interactions energy: -1117.677
where: short stacking energy: -502.361
Base-Backbone interact. energy: -1.752
local terms energy: -603.950333
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -121.528
flat angles C4'-P-C4' energy: -145.902
flat angles P-C4'-P energy: -77.858
tors. eta vs tors. theta energy: -140.345
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: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1356.957909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.957909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.957909 (E_RNA)
where:
Base-Base interactions energy: -872.812
where: short stacking energy: -396.126
Base-Backbone interact. energy: -4.983
local terms energy: -479.162651
where:
bonds (distance) C4'-P energy: -121.540
bonds (distance) P-C4' energy: -120.749
flat angles C4'-P-C4' energy: -108.081
flat angles P-C4'-P energy: -63.243
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: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1242.016826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.016826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.016826 (E_RNA)
where:
Base-Base interactions energy: -762.556
where: short stacking energy: -370.551
Base-Backbone interact. energy: -0.019
local terms energy: -479.441483
where:
bonds (distance) C4'-P energy: -117.331
bonds (distance) P-C4' energy: -125.999
flat angles C4'-P-C4' energy: -114.632
flat angles P-C4'-P energy: -50.321
tors. eta vs tors. theta energy: -71.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -868.162104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.162104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.162104 (E_RNA)
where:
Base-Base interactions energy: -463.767
where: short stacking energy: -238.795
Base-Backbone interact. energy: 4.558
local terms energy: -408.952791
where:
bonds (distance) C4'-P energy: -110.245
bonds (distance) P-C4' energy: -125.942
flat angles C4'-P-C4' energy: -98.346
flat angles P-C4'-P energy: -79.415
tors. eta vs tors. theta energy: 4.995
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2591.569262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.569262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.569262 (E_RNA)
where:
Base-Base interactions energy: -1785.080
where: short stacking energy: -782.004
Base-Backbone interact. energy: -4.148
local terms energy: -802.341234
where:
bonds (distance) C4'-P energy: -151.244
bonds (distance) P-C4' energy: -137.167
flat angles C4'-P-C4' energy: -161.812
flat angles P-C4'-P energy: -116.086
tors. eta vs tors. theta energy: -236.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2472.262081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.262081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.262081 (E_RNA)
where:
Base-Base interactions energy: -1722.085
where: short stacking energy: -735.835
Base-Backbone interact. energy: -2.028
local terms energy: -748.149213
where:
bonds (distance) C4'-P energy: -133.617
bonds (distance) P-C4' energy: -145.620
flat angles C4'-P-C4' energy: -154.022
flat angles P-C4'-P energy: -114.609
tors. eta vs tors. theta energy: -200.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2326.867400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.867400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.867400 (E_RNA)
where:
Base-Base interactions energy: -1593.124
where: short stacking energy: -689.007
Base-Backbone interact. energy: -0.837
local terms energy: -732.905815
where:
bonds (distance) C4'-P energy: -126.984
bonds (distance) P-C4' energy: -135.270
flat angles C4'-P-C4' energy: -164.701
flat angles P-C4'-P energy: -102.472
tors. eta vs tors. theta energy: -203.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2255.478446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.478446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.478446 (E_RNA)
where:
Base-Base interactions energy: -1605.221
where: short stacking energy: -632.866
Base-Backbone interact. energy: -2.890
local terms energy: -647.366959
where:
bonds (distance) C4'-P energy: -128.832
bonds (distance) P-C4' energy: -150.707
flat angles C4'-P-C4' energy: -130.525
flat angles P-C4'-P energy: -83.511
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: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2164.499077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.499077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.499077 (E_RNA)
where:
Base-Base interactions energy: -1503.130
where: short stacking energy: -628.818
Base-Backbone interact. energy: -1.062
local terms energy: -660.306735
where:
bonds (distance) C4'-P energy: -109.331
bonds (distance) P-C4' energy: -126.592
flat angles C4'-P-C4' energy: -142.199
flat angles P-C4'-P energy: -95.872
tors. eta vs tors. theta energy: -186.313
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: 355
Temperature: 1.150000
Total energy: -2114.586180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.586180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.586180 (E_RNA)
where:
Base-Base interactions energy: -1483.144
where: short stacking energy: -640.365
Base-Backbone interact. energy: 1.451
local terms energy: -632.893281
where:
bonds (distance) C4'-P energy: -111.596
bonds (distance) P-C4' energy: -108.245
flat angles C4'-P-C4' energy: -138.892
flat angles P-C4'-P energy: -92.311
tors. eta vs tors. theta energy: -181.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1732.335369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.335369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.335369 (E_RNA)
where:
Base-Base interactions energy: -1138.816
where: short stacking energy: -491.585
Base-Backbone interact. energy: -3.071
local terms energy: -590.448891
where:
bonds (distance) C4'-P energy: -115.821
bonds (distance) P-C4' energy: -132.416
flat angles C4'-P-C4' energy: -126.411
flat angles P-C4'-P energy: -81.817
tors. eta vs tors. theta energy: -133.983
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: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1284.527722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.527722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.527722 (E_RNA)
where:
Base-Base interactions energy: -791.574
where: short stacking energy: -372.961
Base-Backbone interact. energy: -4.457
local terms energy: -488.496904
where:
bonds (distance) C4'-P energy: -112.646
bonds (distance) P-C4' energy: -120.294
flat angles C4'-P-C4' energy: -98.651
flat angles P-C4'-P energy: -81.894
tors. eta vs tors. theta energy: -75.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1307.922891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.922891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.922891 (E_RNA)
where:
Base-Base interactions energy: -851.327
where: short stacking energy: -384.576
Base-Backbone interact. energy: -1.502
local terms energy: -455.094381
where:
bonds (distance) C4'-P energy: -99.822
bonds (distance) P-C4' energy: -107.693
flat angles C4'-P-C4' energy: -102.195
flat angles P-C4'-P energy: -78.312
tors. eta vs tors. theta energy: -67.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -887.420272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.420272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.420272 (E_RNA)
where:
Base-Base interactions energy: -498.898
where: short stacking energy: -255.077
Base-Backbone interact. energy: 0.677
local terms energy: -389.199364
where:
bonds (distance) C4'-P energy: -118.631
bonds (distance) P-C4' energy: -104.122
flat angles C4'-P-C4' energy: -93.033
flat angles P-C4'-P energy: -71.161
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2583.710262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.710262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.710262 (E_RNA)
where:
Base-Base interactions energy: -1813.431
where: short stacking energy: -797.897
Base-Backbone interact. energy: -4.369
local terms energy: -765.910028
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -129.312
flat angles C4'-P-C4' energy: -167.020
flat angles P-C4'-P energy: -108.211
tors. eta vs tors. theta energy: -241.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2484.335753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.335753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.335753 (E_RNA)
where:
Base-Base interactions energy: -1746.707
where: short stacking energy: -740.563
Base-Backbone interact. energy: 3.424
local terms energy: -741.053326
where:
bonds (distance) C4'-P energy: -136.132
bonds (distance) P-C4' energy: -130.330
flat angles C4'-P-C4' energy: -159.167
flat angles P-C4'-P energy: -101.552
tors. eta vs tors. theta energy: -213.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2321.131868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.131868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.131868 (E_RNA)
where:
Base-Base interactions energy: -1604.060
where: short stacking energy: -655.047
Base-Backbone interact. energy: -2.093
local terms energy: -714.979505
where:
bonds (distance) C4'-P energy: -147.810
bonds (distance) P-C4' energy: -125.071
flat angles C4'-P-C4' energy: -154.500
flat angles P-C4'-P energy: -104.621
tors. eta vs tors. theta energy: -182.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2252.885111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.885111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.885111 (E_RNA)
where:
Base-Base interactions energy: -1549.920
where: short stacking energy: -666.601
Base-Backbone interact. energy: -2.002
local terms energy: -700.963024
where:
bonds (distance) C4'-P energy: -139.271
bonds (distance) P-C4' energy: -132.747
flat angles C4'-P-C4' energy: -132.624
flat angles P-C4'-P energy: -100.276
tors. eta vs tors. theta energy: -196.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2190.636789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.636789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.636789 (E_RNA)
where:
Base-Base interactions energy: -1509.323
where: short stacking energy: -653.332
Base-Backbone interact. energy: -4.345
local terms energy: -676.968652
where:
bonds (distance) C4'-P energy: -117.398
bonds (distance) P-C4' energy: -116.314
flat angles C4'-P-C4' energy: -157.136
flat angles P-C4'-P energy: -102.747
tors. eta vs tors. theta energy: -183.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2111.287379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.287379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.287379 (E_RNA)
where:
Base-Base interactions energy: -1431.261
where: short stacking energy: -601.826
Base-Backbone interact. energy: -1.090
local terms energy: -678.935900
where:
bonds (distance) C4'-P energy: -119.493
bonds (distance) P-C4' energy: -133.350
flat angles C4'-P-C4' energy: -152.376
flat angles P-C4'-P energy: -92.156
tors. eta vs tors. theta energy: -181.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1756.238625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.238625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.238625 (E_RNA)
where:
Base-Base interactions energy: -1158.082
where: short stacking energy: -513.301
Base-Backbone interact. energy: 0.059
local terms energy: -598.216257
where:
bonds (distance) C4'-P energy: -138.544
bonds (distance) P-C4' energy: -121.562
flat angles C4'-P-C4' energy: -126.474
flat angles P-C4'-P energy: -81.140
tors. eta vs tors. theta energy: -130.496
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: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1196.445870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.445870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.445870 (E_RNA)
where:
Base-Base interactions energy: -716.321
where: short stacking energy: -362.336
Base-Backbone interact. energy: -5.257
local terms energy: -474.867851
where:
bonds (distance) C4'-P energy: -103.817
bonds (distance) P-C4' energy: -113.136
flat angles C4'-P-C4' energy: -116.857
flat angles P-C4'-P energy: -81.070
tors. eta vs tors. theta energy: -59.987
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1317.915859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.915859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.915859 (E_RNA)
where:
Base-Base interactions energy: -834.237
where: short stacking energy: -404.198
Base-Backbone interact. energy: -3.280
local terms energy: -480.398796
where:
bonds (distance) C4'-P energy: -108.433
bonds (distance) P-C4' energy: -109.516
flat angles C4'-P-C4' energy: -123.017
flat angles P-C4'-P energy: -64.879
tors. eta vs tors. theta energy: -74.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -891.900895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.900895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.900895 (E_RNA)
where:
Base-Base interactions energy: -490.673
where: short stacking energy: -247.869
Base-Backbone interact. energy: 2.127
local terms energy: -403.355255
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -123.258
flat angles C4'-P-C4' energy: -96.121
flat angles P-C4'-P energy: -62.063
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2575.400050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.400050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.400050 (E_RNA)
where:
Base-Base interactions energy: -1788.724
where: short stacking energy: -756.990
Base-Backbone interact. energy: -2.668
local terms energy: -784.007876
where:
bonds (distance) C4'-P energy: -149.900
bonds (distance) P-C4' energy: -130.310
flat angles C4'-P-C4' energy: -167.529
flat angles P-C4'-P energy: -104.511
tors. eta vs tors. theta energy: -231.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2466.672697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.672697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.672697 (E_RNA)
where:
Base-Base interactions energy: -1721.571
where: short stacking energy: -726.420
Base-Backbone interact. energy: -0.563
local terms energy: -744.538196
where:
bonds (distance) C4'-P energy: -130.584
bonds (distance) P-C4' energy: -139.172
flat angles C4'-P-C4' energy: -153.170
flat angles P-C4'-P energy: -114.156
tors. eta vs tors. theta energy: -207.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2310.901782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.901782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.901782 (E_RNA)
where:
Base-Base interactions energy: -1624.810
where: short stacking energy: -699.269
Base-Backbone interact. energy: 0.800
local terms energy: -686.892394
where:
bonds (distance) C4'-P energy: -102.334
bonds (distance) P-C4' energy: -139.232
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -110.085
tors. eta vs tors. theta energy: -172.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2273.553340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.553340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.553340 (E_RNA)
where:
Base-Base interactions energy: -1576.344
where: short stacking energy: -686.059
Base-Backbone interact. energy: -0.123
local terms energy: -697.086150
where:
bonds (distance) C4'-P energy: -126.738
bonds (distance) P-C4' energy: -129.028
flat angles C4'-P-C4' energy: -150.191
flat angles P-C4'-P energy: -95.194
tors. eta vs tors. theta energy: -195.935
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2203.470459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.470459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.470459 (E_RNA)
where:
Base-Base interactions energy: -1500.649
where: short stacking energy: -648.900
Base-Backbone interact. energy: -0.619
local terms energy: -702.203032
where:
bonds (distance) C4'-P energy: -130.003
bonds (distance) P-C4' energy: -129.893
flat angles C4'-P-C4' energy: -150.303
flat angles P-C4'-P energy: -87.932
tors. eta vs tors. theta energy: -204.072
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: 357
Temperature: 1.150000
Total energy: -2126.005331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.005331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.005331 (E_RNA)
where:
Base-Base interactions energy: -1469.735
where: short stacking energy: -634.113
Base-Backbone interact. energy: -2.291
local terms energy: -653.978869
where:
bonds (distance) C4'-P energy: -113.589
bonds (distance) P-C4' energy: -126.788
flat angles C4'-P-C4' energy: -137.757
flat angles P-C4'-P energy: -90.769
tors. eta vs tors. theta energy: -185.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1756.841788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.841788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.841788 (E_RNA)
where:
Base-Base interactions energy: -1201.024
where: short stacking energy: -517.556
Base-Backbone interact. energy: 2.412
local terms energy: -558.229127
where:
bonds (distance) C4'-P energy: -115.111
bonds (distance) P-C4' energy: -114.123
flat angles C4'-P-C4' energy: -131.462
flat angles P-C4'-P energy: -66.580
tors. eta vs tors. theta energy: -130.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1351.760133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.760133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.760133 (E_RNA)
where:
Base-Base interactions energy: -812.109
where: short stacking energy: -380.885
Base-Backbone interact. energy: -1.540
local terms energy: -538.111252
where:
bonds (distance) C4'-P energy: -121.566
bonds (distance) P-C4' energy: -129.741
flat angles C4'-P-C4' energy: -128.950
flat angles P-C4'-P energy: -70.589
tors. eta vs tors. theta energy: -87.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1176.876311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.876311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.876311 (E_RNA)
where:
Base-Base interactions energy: -677.607
where: short stacking energy: -341.465
Base-Backbone interact. energy: -3.831
local terms energy: -495.438242
where:
bonds (distance) C4'-P energy: -136.695
bonds (distance) P-C4' energy: -114.863
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -72.284
tors. eta vs tors. theta energy: -68.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -878.162103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.162103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.162103 (E_RNA)
where:
Base-Base interactions energy: -448.543
where: short stacking energy: -230.560
Base-Backbone interact. energy: -0.848
local terms energy: -428.770977
where:
bonds (distance) C4'-P energy: -94.764
bonds (distance) P-C4' energy: -129.185
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -69.389
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2594.101981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.101981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.101981 (E_RNA)
where:
Base-Base interactions energy: -1803.440
where: short stacking energy: -784.005
Base-Backbone interact. energy: -4.327
local terms energy: -786.334912
where:
bonds (distance) C4'-P energy: -143.149
bonds (distance) P-C4' energy: -130.641
flat angles C4'-P-C4' energy: -172.498
flat angles P-C4'-P energy: -102.958
tors. eta vs tors. theta energy: -237.089
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: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2461.469281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.469281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.469281 (E_RNA)
where:
Base-Base interactions energy: -1706.570
where: short stacking energy: -715.008
Base-Backbone interact. energy: -0.054
local terms energy: -754.845677
where:
bonds (distance) C4'-P energy: -132.914
bonds (distance) P-C4' energy: -152.276
flat angles C4'-P-C4' energy: -154.033
flat angles P-C4'-P energy: -105.120
tors. eta vs tors. theta energy: -210.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2295.398807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.398807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.398807 (E_RNA)
where:
Base-Base interactions energy: -1626.127
where: short stacking energy: -668.405
Base-Backbone interact. energy: 1.116
local terms energy: -670.387538
where:
bonds (distance) C4'-P energy: -126.416
bonds (distance) P-C4' energy: -126.161
flat angles C4'-P-C4' energy: -138.032
flat angles P-C4'-P energy: -99.861
tors. eta vs tors. theta energy: -179.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2256.901270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.901270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.901270 (E_RNA)
where:
Base-Base interactions energy: -1550.731
where: short stacking energy: -677.527
Base-Backbone interact. energy: -3.255
local terms energy: -702.914758
where:
bonds (distance) C4'-P energy: -117.872
bonds (distance) P-C4' energy: -111.755
flat angles C4'-P-C4' energy: -158.782
flat angles P-C4'-P energy: -110.870
tors. eta vs tors. theta energy: -203.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2150.116302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.116302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.116302 (E_RNA)
where:
Base-Base interactions energy: -1492.638
where: short stacking energy: -618.546
Base-Backbone interact. energy: -2.435
local terms energy: -655.043365
where:
bonds (distance) C4'-P energy: -121.802
bonds (distance) P-C4' energy: -125.090
flat angles C4'-P-C4' energy: -127.665
flat angles P-C4'-P energy: -96.438
tors. eta vs tors. theta energy: -184.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2090.663425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.663425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.663425 (E_RNA)
where:
Base-Base interactions energy: -1434.762
where: short stacking energy: -604.262
Base-Backbone interact. energy: -2.020
local terms energy: -653.881075
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -126.470
flat angles C4'-P-C4' energy: -148.829
flat angles P-C4'-P energy: -93.068
tors. eta vs tors. theta energy: -171.052
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: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1725.166563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.166563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.166563 (E_RNA)
where:
Base-Base interactions energy: -1162.488
where: short stacking energy: -524.851
Base-Backbone interact. energy: -3.006
local terms energy: -559.672687
where:
bonds (distance) C4'-P energy: -107.383
bonds (distance) P-C4' energy: -115.677
flat angles C4'-P-C4' energy: -114.579
flat angles P-C4'-P energy: -89.874
tors. eta vs tors. theta energy: -132.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1337.997106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.997106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.997106 (E_RNA)
where:
Base-Base interactions energy: -845.635
where: short stacking energy: -405.774
Base-Backbone interact. energy: -1.795
local terms energy: -490.566480
where:
bonds (distance) C4'-P energy: -107.064
bonds (distance) P-C4' energy: -121.160
flat angles C4'-P-C4' energy: -123.056
flat angles P-C4'-P energy: -64.013
tors. eta vs tors. theta energy: -75.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1192.094348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.094348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.094348 (E_RNA)
where:
Base-Base interactions energy: -728.606
where: short stacking energy: -348.060
Base-Backbone interact. energy: -2.474
local terms energy: -461.014288
where:
bonds (distance) C4'-P energy: -118.206
bonds (distance) P-C4' energy: -123.773
flat angles C4'-P-C4' energy: -86.901
flat angles P-C4'-P energy: -66.252
tors. eta vs tors. theta energy: -65.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -955.998818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.998818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.998818 (E_RNA)
where:
Base-Base interactions energy: -542.922
where: short stacking energy: -242.443
Base-Backbone interact. energy: -4.948
local terms energy: -408.129035
where:
bonds (distance) C4'-P energy: -118.934
bonds (distance) P-C4' energy: -117.498
flat angles C4'-P-C4' energy: -102.604
flat angles P-C4'-P energy: -55.331
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2615.474954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.474954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.474954 (E_RNA)
where:
Base-Base interactions energy: -1827.841
where: short stacking energy: -802.001
Base-Backbone interact. energy: -2.135
local terms energy: -785.498698
where:
bonds (distance) C4'-P energy: -132.569
bonds (distance) P-C4' energy: -133.042
flat angles C4'-P-C4' energy: -170.632
flat angles P-C4'-P energy: -113.041
tors. eta vs tors. theta energy: -236.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2457.543611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.543611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.543611 (E_RNA)
where:
Base-Base interactions energy: -1691.395
where: short stacking energy: -714.002
Base-Backbone interact. energy: -4.137
local terms energy: -762.011393
where:
bonds (distance) C4'-P energy: -128.675
bonds (distance) P-C4' energy: -146.525
flat angles C4'-P-C4' energy: -164.993
flat angles P-C4'-P energy: -115.819
tors. eta vs tors. theta energy: -206.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2332.474043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.474043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.474043 (E_RNA)
where:
Base-Base interactions energy: -1642.236
where: short stacking energy: -652.576
Base-Backbone interact. energy: 2.616
local terms energy: -692.853870
where:
bonds (distance) C4'-P energy: -127.095
bonds (distance) P-C4' energy: -135.314
flat angles C4'-P-C4' energy: -146.676
flat angles P-C4'-P energy: -100.196
tors. eta vs tors. theta energy: -183.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2262.745017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.745017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.745017 (E_RNA)
where:
Base-Base interactions energy: -1586.055
where: short stacking energy: -658.079
Base-Backbone interact. energy: -1.305
local terms energy: -675.384774
where:
bonds (distance) C4'-P energy: -113.783
bonds (distance) P-C4' energy: -128.262
flat angles C4'-P-C4' energy: -138.470
flat angles P-C4'-P energy: -95.395
tors. eta vs tors. theta energy: -199.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2201.569279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.569279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.569279 (E_RNA)
where:
Base-Base interactions energy: -1523.003
where: short stacking energy: -655.427
Base-Backbone interact. energy: -2.490
local terms energy: -676.076137
where:
bonds (distance) C4'-P energy: -129.480
bonds (distance) P-C4' energy: -124.762
flat angles C4'-P-C4' energy: -141.212
flat angles P-C4'-P energy: -106.848
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: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2084.675781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.675781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.675781 (E_RNA)
where:
Base-Base interactions energy: -1455.252
where: short stacking energy: -614.072
Base-Backbone interact. energy: -2.363
local terms energy: -627.061435
where:
bonds (distance) C4'-P energy: -106.826
bonds (distance) P-C4' energy: -116.662
flat angles C4'-P-C4' energy: -145.866
flat angles P-C4'-P energy: -89.504
tors. eta vs tors. theta energy: -168.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1727.361424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.361424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.361424 (E_RNA)
where:
Base-Base interactions energy: -1170.196
where: short stacking energy: -500.094
Base-Backbone interact. energy: -2.452
local terms energy: -554.714261
where:
bonds (distance) C4'-P energy: -112.754
bonds (distance) P-C4' energy: -135.248
flat angles C4'-P-C4' energy: -123.736
flat angles P-C4'-P energy: -64.859
tors. eta vs tors. theta energy: -118.118
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: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1320.689322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.689322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.689322 (E_RNA)
where:
Base-Base interactions energy: -834.145
where: short stacking energy: -385.946
Base-Backbone interact. energy: 5.218
local terms energy: -491.762096
where:
bonds (distance) C4'-P energy: -112.349
bonds (distance) P-C4' energy: -115.472
flat angles C4'-P-C4' energy: -123.370
flat angles P-C4'-P energy: -70.480
tors. eta vs tors. theta energy: -70.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1234.212915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.212915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.212915 (E_RNA)
where:
Base-Base interactions energy: -730.159
where: short stacking energy: -350.862
Base-Backbone interact. energy: 0.224
local terms energy: -504.278369
where:
bonds (distance) C4'-P energy: -100.913
bonds (distance) P-C4' energy: -133.767
flat angles C4'-P-C4' energy: -120.496
flat angles P-C4'-P energy: -82.140
tors. eta vs tors. theta energy: -66.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -975.312035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.312035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.312035 (E_RNA)
where:
Base-Base interactions energy: -537.035
where: short stacking energy: -287.640
Base-Backbone interact. energy: 1.236
local terms energy: -439.513490
where:
bonds (distance) C4'-P energy: -103.454
bonds (distance) P-C4' energy: -115.371
flat angles C4'-P-C4' energy: -99.979
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -36.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2598.546961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.546961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.546961 (E_RNA)
where:
Base-Base interactions energy: -1780.880
where: short stacking energy: -794.886
Base-Backbone interact. energy: -0.940
local terms energy: -816.727537
where:
bonds (distance) C4'-P energy: -126.509
bonds (distance) P-C4' energy: -150.181
flat angles C4'-P-C4' energy: -173.081
flat angles P-C4'-P energy: -123.629
tors. eta vs tors. theta energy: -243.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2461.522541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.522541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.522541 (E_RNA)
where:
Base-Base interactions energy: -1688.465
where: short stacking energy: -719.606
Base-Backbone interact. energy: -2.681
local terms energy: -770.376148
where:
bonds (distance) C4'-P energy: -132.687
bonds (distance) P-C4' energy: -149.254
flat angles C4'-P-C4' energy: -160.344
flat angles P-C4'-P energy: -111.505
tors. eta vs tors. theta energy: -216.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2310.377516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.377516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.377516 (E_RNA)
where:
Base-Base interactions energy: -1620.197
where: short stacking energy: -652.872
Base-Backbone interact. energy: -2.357
local terms energy: -687.824273
where:
bonds (distance) C4'-P energy: -144.701
bonds (distance) P-C4' energy: -122.404
flat angles C4'-P-C4' energy: -146.667
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -169.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2228.846354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.846354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.846354 (E_RNA)
where:
Base-Base interactions energy: -1500.835
where: short stacking energy: -639.075
Base-Backbone interact. energy: -3.356
local terms energy: -724.654708
where:
bonds (distance) C4'-P energy: -142.579
bonds (distance) P-C4' energy: -140.105
flat angles C4'-P-C4' energy: -160.056
flat angles P-C4'-P energy: -98.360
tors. eta vs tors. theta energy: -183.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2154.961450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.961450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.961450 (E_RNA)
where:
Base-Base interactions energy: -1503.673
where: short stacking energy: -625.183
Base-Backbone interact. energy: 0.469
local terms energy: -651.757726
where:
bonds (distance) C4'-P energy: -114.726
bonds (distance) P-C4' energy: -134.272
flat angles C4'-P-C4' energy: -144.547
flat angles P-C4'-P energy: -83.739
tors. eta vs tors. theta energy: -174.474
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: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2042.674243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.674243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.674243 (E_RNA)
where:
Base-Base interactions energy: -1383.144
where: short stacking energy: -583.779
Base-Backbone interact. energy: 1.837
local terms energy: -661.366613
where:
bonds (distance) C4'-P energy: -121.648
bonds (distance) P-C4' energy: -134.959
flat angles C4'-P-C4' energy: -138.272
flat angles P-C4'-P energy: -100.087
tors. eta vs tors. theta energy: -166.400
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: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1700.238634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.238634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.238634 (E_RNA)
where:
Base-Base interactions energy: -1134.388
where: short stacking energy: -488.727
Base-Backbone interact. energy: -2.555
local terms energy: -563.295052
where:
bonds (distance) C4'-P energy: -100.707
bonds (distance) P-C4' energy: -137.610
flat angles C4'-P-C4' energy: -117.300
flat angles P-C4'-P energy: -89.046
tors. eta vs tors. theta energy: -118.632
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: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1333.038199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.038199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.038199 (E_RNA)
where:
Base-Base interactions energy: -850.663
where: short stacking energy: -371.913
Base-Backbone interact. energy: 3.322
local terms energy: -485.698009
where:
bonds (distance) C4'-P energy: -87.221
bonds (distance) P-C4' energy: -118.476
flat angles C4'-P-C4' energy: -122.603
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -79.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1189.227510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.227510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.227510 (E_RNA)
where:
Base-Base interactions energy: -762.273
where: short stacking energy: -372.707
Base-Backbone interact. energy: 1.596
local terms energy: -428.550573
where:
bonds (distance) C4'-P energy: -111.143
bonds (distance) P-C4' energy: -114.023
flat angles C4'-P-C4' energy: -102.663
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -36.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -911.352583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.352583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.352583 (E_RNA)
where:
Base-Base interactions energy: -497.066
where: short stacking energy: -275.249
Base-Backbone interact. energy: -1.352
local terms energy: -412.934928
where:
bonds (distance) C4'-P energy: -103.431
bonds (distance) P-C4' energy: -111.884
flat angles C4'-P-C4' energy: -109.485
flat angles P-C4'-P energy: -70.671
tors. eta vs tors. theta energy: -17.465
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: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2578.360808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.360808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.360808 (E_RNA)
where:
Base-Base interactions energy: -1781.402
where: short stacking energy: -777.744
Base-Backbone interact. energy: -2.905
local terms energy: -794.052881
where:
bonds (distance) C4'-P energy: -141.023
bonds (distance) P-C4' energy: -143.636
flat angles C4'-P-C4' energy: -163.448
flat angles P-C4'-P energy: -114.821
tors. eta vs tors. theta energy: -231.125
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2490.224907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.224907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.224907 (E_RNA)
where:
Base-Base interactions energy: -1740.725
where: short stacking energy: -726.158
Base-Backbone interact. energy: -4.000
local terms energy: -745.500442
where:
bonds (distance) C4'-P energy: -140.282
bonds (distance) P-C4' energy: -138.030
flat angles C4'-P-C4' energy: -162.184
flat angles P-C4'-P energy: -87.989
tors. eta vs tors. theta energy: -217.017
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: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2315.131832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.131832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.131832 (E_RNA)
where:
Base-Base interactions energy: -1632.780
where: short stacking energy: -661.149
Base-Backbone interact. energy: 0.547
local terms energy: -682.899194
where:
bonds (distance) C4'-P energy: -131.736
bonds (distance) P-C4' energy: -137.777
flat angles C4'-P-C4' energy: -140.189
flat angles P-C4'-P energy: -97.544
tors. eta vs tors. theta energy: -175.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2237.333355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.333355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.333355 (E_RNA)
where:
Base-Base interactions energy: -1531.871
where: short stacking energy: -655.464
Base-Backbone interact. energy: -1.215
local terms energy: -704.247200
where:
bonds (distance) C4'-P energy: -142.701
bonds (distance) P-C4' energy: -125.537
flat angles C4'-P-C4' energy: -152.625
flat angles P-C4'-P energy: -91.534
tors. eta vs tors. theta energy: -191.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2155.725785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.725785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.725785 (E_RNA)
where:
Base-Base interactions energy: -1494.019
where: short stacking energy: -632.385
Base-Backbone interact. energy: 2.798
local terms energy: -664.504050
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -128.951
flat angles C4'-P-C4' energy: -154.112
flat angles P-C4'-P energy: -91.908
tors. eta vs tors. theta energy: -175.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2000.213884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.213884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.213884 (E_RNA)
where:
Base-Base interactions energy: -1361.923
where: short stacking energy: -569.126
Base-Backbone interact. energy: -0.434
local terms energy: -637.857432
where:
bonds (distance) C4'-P energy: -129.653
bonds (distance) P-C4' energy: -131.204
flat angles C4'-P-C4' energy: -133.721
flat angles P-C4'-P energy: -84.159
tors. eta vs tors. theta energy: -159.121
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: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1749.805687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.805687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.805687 (E_RNA)
where:
Base-Base interactions energy: -1173.892
where: short stacking energy: -500.718
Base-Backbone interact. energy: 1.019
local terms energy: -576.932440
where:
bonds (distance) C4'-P energy: -115.729
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -107.681
flat angles P-C4'-P energy: -86.110
tors. eta vs tors. theta energy: -140.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1402.070980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.070980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.070980 (E_RNA)
where:
Base-Base interactions energy: -892.155
where: short stacking energy: -406.623
Base-Backbone interact. energy: -0.093
local terms energy: -509.823409
where:
bonds (distance) C4'-P energy: -118.997
bonds (distance) P-C4' energy: -114.335
flat angles C4'-P-C4' energy: -130.163
flat angles P-C4'-P energy: -64.187
tors. eta vs tors. theta energy: -82.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1188.663884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.663884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.663884 (E_RNA)
where:
Base-Base interactions energy: -719.386
where: short stacking energy: -349.618
Base-Backbone interact. energy: 4.081
local terms energy: -473.359131
where:
bonds (distance) C4'-P energy: -119.638
bonds (distance) P-C4' energy: -109.342
flat angles C4'-P-C4' energy: -119.206
flat angles P-C4'-P energy: -71.164
tors. eta vs tors. theta energy: -54.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -914.447872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.447872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.447872 (E_RNA)
where:
Base-Base interactions energy: -517.568
where: short stacking energy: -230.676
Base-Backbone interact. energy: -3.059
local terms energy: -393.821175
where:
bonds (distance) C4'-P energy: -106.879
bonds (distance) P-C4' energy: -120.142
flat angles C4'-P-C4' energy: -94.805
flat angles P-C4'-P energy: -57.420
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2599.240378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.240378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.240378 (E_RNA)
where:
Base-Base interactions energy: -1789.672
where: short stacking energy: -786.168
Base-Backbone interact. energy: -2.941
local terms energy: -806.627176
where:
bonds (distance) C4'-P energy: -153.296
bonds (distance) P-C4' energy: -140.698
flat angles C4'-P-C4' energy: -163.156
flat angles P-C4'-P energy: -111.169
tors. eta vs tors. theta energy: -238.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2490.970505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.970505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.970505 (E_RNA)
where:
Base-Base interactions energy: -1729.437
where: short stacking energy: -726.930
Base-Backbone interact. energy: -1.951
local terms energy: -759.582526
where:
bonds (distance) C4'-P energy: -138.239
bonds (distance) P-C4' energy: -138.276
flat angles C4'-P-C4' energy: -162.630
flat angles P-C4'-P energy: -110.058
tors. eta vs tors. theta energy: -210.380
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: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2316.157775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.157775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.157775 (E_RNA)
where:
Base-Base interactions energy: -1643.234
where: short stacking energy: -656.243
Base-Backbone interact. energy: 1.556
local terms energy: -674.480005
where:
bonds (distance) C4'-P energy: -127.479
bonds (distance) P-C4' energy: -124.802
flat angles C4'-P-C4' energy: -141.796
flat angles P-C4'-P energy: -93.929
tors. eta vs tors. theta energy: -186.475
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2259.883926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.883926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.883926 (E_RNA)
where:
Base-Base interactions energy: -1563.196
where: short stacking energy: -679.868
Base-Backbone interact. energy: 0.409
local terms energy: -697.096829
where:
bonds (distance) C4'-P energy: -118.250
bonds (distance) P-C4' energy: -145.095
flat angles C4'-P-C4' energy: -147.065
flat angles P-C4'-P energy: -92.824
tors. eta vs tors. theta energy: -193.863
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: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2254.380612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.380612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.380612 (E_RNA)
where:
Base-Base interactions energy: -1559.510
where: short stacking energy: -661.753
Base-Backbone interact. energy: -2.206
local terms energy: -692.665277
where:
bonds (distance) C4'-P energy: -134.656
bonds (distance) P-C4' energy: -129.793
flat angles C4'-P-C4' energy: -150.568
flat angles P-C4'-P energy: -87.821
tors. eta vs tors. theta energy: -189.827
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: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2010.479488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.479488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.479488 (E_RNA)
where:
Base-Base interactions energy: -1389.640
where: short stacking energy: -608.628
Base-Backbone interact. energy: -3.860
local terms energy: -616.979947
where:
bonds (distance) C4'-P energy: -104.712
bonds (distance) P-C4' energy: -123.668
flat angles C4'-P-C4' energy: -138.323
flat angles P-C4'-P energy: -86.865
tors. eta vs tors. theta energy: -163.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1728.239948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.239948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.239948 (E_RNA)
where:
Base-Base interactions energy: -1150.505
where: short stacking energy: -511.504
Base-Backbone interact. energy: -3.793
local terms energy: -573.941579
where:
bonds (distance) C4'-P energy: -119.482
bonds (distance) P-C4' energy: -112.320
flat angles C4'-P-C4' energy: -135.687
flat angles P-C4'-P energy: -74.086
tors. eta vs tors. theta energy: -132.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1314.024194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.024194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.024194 (E_RNA)
where:
Base-Base interactions energy: -832.087
where: short stacking energy: -372.717
Base-Backbone interact. energy: 4.009
local terms energy: -485.945659
where:
bonds (distance) C4'-P energy: -109.166
bonds (distance) P-C4' energy: -121.447
flat angles C4'-P-C4' energy: -109.783
flat angles P-C4'-P energy: -76.159
tors. eta vs tors. theta energy: -69.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1143.788181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.788181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.788181 (E_RNA)
where:
Base-Base interactions energy: -714.538
where: short stacking energy: -347.665
Base-Backbone interact. energy: 2.385
local terms energy: -431.635317
where:
bonds (distance) C4'-P energy: -104.373
bonds (distance) P-C4' energy: -114.053
flat angles C4'-P-C4' energy: -104.023
flat angles P-C4'-P energy: -56.664
tors. eta vs tors. theta energy: -52.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -999.583491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.583491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.583491 (E_RNA)
where:
Base-Base interactions energy: -581.223
where: short stacking energy: -262.508
Base-Backbone interact. energy: 3.189
local terms energy: -421.548911
where:
bonds (distance) C4'-P energy: -90.772
bonds (distance) P-C4' energy: -119.488
flat angles C4'-P-C4' energy: -106.784
flat angles P-C4'-P energy: -67.951
tors. eta vs tors. theta energy: -36.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2593.301316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.301316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.301316 (E_RNA)
where:
Base-Base interactions energy: -1810.127
where: short stacking energy: -796.952
Base-Backbone interact. energy: -2.883
local terms energy: -780.291753
where:
bonds (distance) C4'-P energy: -138.122
bonds (distance) P-C4' energy: -138.843
flat angles C4'-P-C4' energy: -159.343
flat angles P-C4'-P energy: -102.712
tors. eta vs tors. theta energy: -241.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2504.252877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.252877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.252877 (E_RNA)
where:
Base-Base interactions energy: -1719.387
where: short stacking energy: -733.625
Base-Backbone interact. energy: -1.925
local terms energy: -782.940325
where:
bonds (distance) C4'-P energy: -134.823
bonds (distance) P-C4' energy: -151.379
flat angles C4'-P-C4' energy: -173.351
flat angles P-C4'-P energy: -102.293
tors. eta vs tors. theta energy: -221.094
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: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2373.512392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.512392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.512392 (E_RNA)
where:
Base-Base interactions energy: -1677.394
where: short stacking energy: -700.365
Base-Backbone interact. energy: -1.721
local terms energy: -694.397365
where:
bonds (distance) C4'-P energy: -118.619
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -146.028
flat angles P-C4'-P energy: -99.223
tors. eta vs tors. theta energy: -191.304
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: 363
Temperature: 1.050000
Total energy: -2283.041176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.041176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.041176 (E_RNA)
where:
Base-Base interactions energy: -1615.760
where: short stacking energy: -669.281
Base-Backbone interact. energy: -3.861
local terms energy: -663.421139
where:
bonds (distance) C4'-P energy: -113.181
bonds (distance) P-C4' energy: -117.372
flat angles C4'-P-C4' energy: -157.055
flat angles P-C4'-P energy: -89.452
tors. eta vs tors. theta energy: -186.361
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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2186.543084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.543084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.543084 (E_RNA)
where:
Base-Base interactions energy: -1515.748
where: short stacking energy: -647.554
Base-Backbone interact. energy: -2.343
local terms energy: -668.452478
where:
bonds (distance) C4'-P energy: -124.312
bonds (distance) P-C4' energy: -119.796
flat angles C4'-P-C4' energy: -133.910
flat angles P-C4'-P energy: -107.690
tors. eta vs tors. theta energy: -182.743
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: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1950.587225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.587225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.587225 (E_RNA)
where:
Base-Base interactions energy: -1327.582
where: short stacking energy: -581.111
Base-Backbone interact. energy: -2.480
local terms energy: -620.525411
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -146.628
flat angles P-C4'-P energy: -92.919
tors. eta vs tors. theta energy: -157.976
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: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1754.771025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.771025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.771025 (E_RNA)
where:
Base-Base interactions energy: -1162.874
where: short stacking energy: -516.211
Base-Backbone interact. energy: -0.488
local terms energy: -591.409333
where:
bonds (distance) C4'-P energy: -110.276
bonds (distance) P-C4' energy: -139.201
flat angles C4'-P-C4' energy: -128.591
flat angles P-C4'-P energy: -82.159
tors. eta vs tors. theta energy: -131.183
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: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1339.762619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.762619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.762619 (E_RNA)
where:
Base-Base interactions energy: -816.727
where: short stacking energy: -381.651
Base-Backbone interact. energy: -0.311
local terms energy: -522.725399
where:
bonds (distance) C4'-P energy: -119.886
bonds (distance) P-C4' energy: -131.086
flat angles C4'-P-C4' energy: -118.982
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -78.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1207.977429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.977429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.977429 (E_RNA)
where:
Base-Base interactions energy: -749.817
where: short stacking energy: -372.421
Base-Backbone interact. energy: 2.869
local terms energy: -461.029153
where:
bonds (distance) C4'-P energy: -105.572
bonds (distance) P-C4' energy: -106.284
flat angles C4'-P-C4' energy: -109.552
flat angles P-C4'-P energy: -82.490
tors. eta vs tors. theta energy: -57.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1054.559395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.559395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.559395 (E_RNA)
where:
Base-Base interactions energy: -605.318
where: short stacking energy: -305.123
Base-Backbone interact. energy: 0.122
local terms energy: -449.363238
where:
bonds (distance) C4'-P energy: -123.106
bonds (distance) P-C4' energy: -119.664
flat angles C4'-P-C4' energy: -101.440
flat angles P-C4'-P energy: -66.338
tors. eta vs tors. theta energy: -38.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2587.607003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.607003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.607003 (E_RNA)
where:
Base-Base interactions energy: -1788.723
where: short stacking energy: -790.347
Base-Backbone interact. energy: -1.586
local terms energy: -797.297667
where:
bonds (distance) C4'-P energy: -143.862
bonds (distance) P-C4' energy: -132.834
flat angles C4'-P-C4' energy: -173.378
flat angles P-C4'-P energy: -115.142
tors. eta vs tors. theta energy: -232.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2507.623183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.623183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.623183 (E_RNA)
where:
Base-Base interactions energy: -1727.902
where: short stacking energy: -724.594
Base-Backbone interact. energy: -5.266
local terms energy: -774.454737
where:
bonds (distance) C4'-P energy: -145.923
bonds (distance) P-C4' energy: -137.902
flat angles C4'-P-C4' energy: -164.697
flat angles P-C4'-P energy: -110.954
tors. eta vs tors. theta energy: -214.980
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: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2360.376867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.376867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.376867 (E_RNA)
where:
Base-Base interactions energy: -1643.176
where: short stacking energy: -689.684
Base-Backbone interact. energy: -1.185
local terms energy: -716.015556
where:
bonds (distance) C4'-P energy: -140.255
bonds (distance) P-C4' energy: -134.562
flat angles C4'-P-C4' energy: -150.516
flat angles P-C4'-P energy: -108.330
tors. eta vs tors. theta energy: -182.353
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: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2278.517107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.517107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.517107 (E_RNA)
where:
Base-Base interactions energy: -1562.599
where: short stacking energy: -675.576
Base-Backbone interact. energy: -2.462
local terms energy: -713.455927
where:
bonds (distance) C4'-P energy: -122.162
bonds (distance) P-C4' energy: -121.279
flat angles C4'-P-C4' energy: -158.700
flat angles P-C4'-P energy: -107.306
tors. eta vs tors. theta energy: -204.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2170.287305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.287305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.287305 (E_RNA)
where:
Base-Base interactions energy: -1477.550
where: short stacking energy: -630.889
Base-Backbone interact. energy: -0.022
local terms energy: -692.716027
where:
bonds (distance) C4'-P energy: -129.085
bonds (distance) P-C4' energy: -138.765
flat angles C4'-P-C4' energy: -140.043
flat angles P-C4'-P energy: -100.189
tors. eta vs tors. theta energy: -184.634
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: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2023.371717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.371717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.371717 (E_RNA)
where:
Base-Base interactions energy: -1410.307
where: short stacking energy: -583.830
Base-Backbone interact. energy: -0.886
local terms energy: -612.179208
where:
bonds (distance) C4'-P energy: -120.008
bonds (distance) P-C4' energy: -121.717
flat angles C4'-P-C4' energy: -144.214
flat angles P-C4'-P energy: -71.425
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: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1779.959257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.959257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.959257 (E_RNA)
where:
Base-Base interactions energy: -1176.181
where: short stacking energy: -538.538
Base-Backbone interact. energy: 1.728
local terms energy: -605.506617
where:
bonds (distance) C4'-P energy: -123.871
bonds (distance) P-C4' energy: -126.946
flat angles C4'-P-C4' energy: -135.698
flat angles P-C4'-P energy: -86.920
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: 364
Temperature: 1.250000
Total energy: -1427.544779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.544779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.544779 (E_RNA)
where:
Base-Base interactions energy: -901.645
where: short stacking energy: -414.222
Base-Backbone interact. energy: 0.486
local terms energy: -526.385639
where:
bonds (distance) C4'-P energy: -108.886
bonds (distance) P-C4' energy: -131.552
flat angles C4'-P-C4' energy: -118.829
flat angles P-C4'-P energy: -76.881
tors. eta vs tors. theta energy: -90.238
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1257.642828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.642828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.642828 (E_RNA)
where:
Base-Base interactions energy: -772.374
where: short stacking energy: -384.064
Base-Backbone interact. energy: 5.379
local terms energy: -490.647493
where:
bonds (distance) C4'-P energy: -117.403
bonds (distance) P-C4' energy: -117.767
flat angles C4'-P-C4' energy: -123.135
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -75.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1066.120674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.120674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.120674 (E_RNA)
where:
Base-Base interactions energy: -613.700
where: short stacking energy: -317.515
Base-Backbone interact. energy: 0.748
local terms energy: -453.169247
where:
bonds (distance) C4'-P energy: -117.209
bonds (distance) P-C4' energy: -110.163
flat angles C4'-P-C4' energy: -123.544
flat angles P-C4'-P energy: -56.174
tors. eta vs tors. theta energy: -46.081
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2585.092448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.092448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.092448 (E_RNA)
where:
Base-Base interactions energy: -1783.370
where: short stacking energy: -792.209
Base-Backbone interact. energy: -1.097
local terms energy: -800.624902
where:
bonds (distance) C4'-P energy: -129.520
bonds (distance) P-C4' energy: -142.920
flat angles C4'-P-C4' energy: -165.490
flat angles P-C4'-P energy: -118.175
tors. eta vs tors. theta energy: -244.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2522.651901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.651901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.651901 (E_RNA)
where:
Base-Base interactions energy: -1759.558
where: short stacking energy: -738.770
Base-Backbone interact. energy: -1.760
local terms energy: -761.333596
where:
bonds (distance) C4'-P energy: -133.788
bonds (distance) P-C4' energy: -127.999
flat angles C4'-P-C4' energy: -162.411
flat angles P-C4'-P energy: -113.904
tors. eta vs tors. theta energy: -223.231
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: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2384.702739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.702739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.702739 (E_RNA)
where:
Base-Base interactions energy: -1685.653
where: short stacking energy: -688.508
Base-Backbone interact. energy: -3.011
local terms energy: -696.038647
where:
bonds (distance) C4'-P energy: -131.666
bonds (distance) P-C4' energy: -117.056
flat angles C4'-P-C4' energy: -150.880
flat angles P-C4'-P energy: -110.282
tors. eta vs tors. theta energy: -186.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2320.521249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.521249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.521249 (E_RNA)
where:
Base-Base interactions energy: -1590.619
where: short stacking energy: -702.189
Base-Backbone interact. energy: -2.308
local terms energy: -727.594085
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -141.952
flat angles C4'-P-C4' energy: -159.761
flat angles P-C4'-P energy: -95.619
tors. eta vs tors. theta energy: -212.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2132.874436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.874436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.874436 (E_RNA)
where:
Base-Base interactions energy: -1467.959
where: short stacking energy: -615.428
Base-Backbone interact. energy: 0.149
local terms energy: -665.064126
where:
bonds (distance) C4'-P energy: -120.760
bonds (distance) P-C4' energy: -139.691
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -84.317
tors. eta vs tors. theta energy: -184.763
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2088.428953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.428953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.428953 (E_RNA)
where:
Base-Base interactions energy: -1433.806
where: short stacking energy: -598.606
Base-Backbone interact. energy: -5.089
local terms energy: -649.534585
where:
bonds (distance) C4'-P energy: -126.171
bonds (distance) P-C4' energy: -120.691
flat angles C4'-P-C4' energy: -144.502
flat angles P-C4'-P energy: -86.466
tors. eta vs tors. theta energy: -171.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1804.627187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.627187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.627187 (E_RNA)
where:
Base-Base interactions energy: -1224.711
where: short stacking energy: -547.014
Base-Backbone interact. energy: 3.042
local terms energy: -582.958008
where:
bonds (distance) C4'-P energy: -125.843
bonds (distance) P-C4' energy: -88.947
flat angles C4'-P-C4' energy: -145.589
flat angles P-C4'-P energy: -69.974
tors. eta vs tors. theta energy: -152.605
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: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1378.605874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.605874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.605874 (E_RNA)
where:
Base-Base interactions energy: -894.746
where: short stacking energy: -397.396
Base-Backbone interact. energy: -2.130
local terms energy: -481.730018
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -117.561
flat angles C4'-P-C4' energy: -112.161
flat angles P-C4'-P energy: -75.048
tors. eta vs tors. theta energy: -70.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1246.607967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.607967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.607967 (E_RNA)
where:
Base-Base interactions energy: -780.109
where: short stacking energy: -368.773
Base-Backbone interact. energy: 1.879
local terms energy: -468.377080
where:
bonds (distance) C4'-P energy: -120.088
bonds (distance) P-C4' energy: -114.975
flat angles C4'-P-C4' energy: -104.982
flat angles P-C4'-P energy: -81.121
tors. eta vs tors. theta energy: -47.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1068.811012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.811012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.811012 (E_RNA)
where:
Base-Base interactions energy: -594.677
where: short stacking energy: -292.790
Base-Backbone interact. energy: -0.844
local terms energy: -473.290393
where:
bonds (distance) C4'-P energy: -129.245
bonds (distance) P-C4' energy: -117.137
flat angles C4'-P-C4' energy: -121.299
flat angles P-C4'-P energy: -61.863
tors. eta vs tors. theta energy: -43.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2592.022743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.022743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.022743 (E_RNA)
where:
Base-Base interactions energy: -1792.547
where: short stacking energy: -780.641
Base-Backbone interact. energy: -1.854
local terms energy: -797.621735
where:
bonds (distance) C4'-P energy: -130.463
bonds (distance) P-C4' energy: -136.500
flat angles C4'-P-C4' energy: -174.974
flat angles P-C4'-P energy: -112.329
tors. eta vs tors. theta energy: -243.355
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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2456.153814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.153814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.153814 (E_RNA)
where:
Base-Base interactions energy: -1728.025
where: short stacking energy: -745.796
Base-Backbone interact. energy: -2.888
local terms energy: -725.241575
where:
bonds (distance) C4'-P energy: -125.129
bonds (distance) P-C4' energy: -133.156
flat angles C4'-P-C4' energy: -156.396
flat angles P-C4'-P energy: -101.067
tors. eta vs tors. theta energy: -209.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2372.761008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.761008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.761008 (E_RNA)
where:
Base-Base interactions energy: -1698.216
where: short stacking energy: -701.201
Base-Backbone interact. energy: -0.419
local terms energy: -674.125871
where:
bonds (distance) C4'-P energy: -124.017
bonds (distance) P-C4' energy: -137.021
flat angles C4'-P-C4' energy: -142.889
flat angles P-C4'-P energy: -93.309
tors. eta vs tors. theta energy: -176.890
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: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2284.305270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.305270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.305270 (E_RNA)
where:
Base-Base interactions energy: -1562.176
where: short stacking energy: -666.418
Base-Backbone interact. energy: 2.424
local terms energy: -724.553518
where:
bonds (distance) C4'-P energy: -134.021
bonds (distance) P-C4' energy: -130.352
flat angles C4'-P-C4' energy: -158.376
flat angles P-C4'-P energy: -98.317
tors. eta vs tors. theta energy: -203.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2147.085010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.085010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.085010 (E_RNA)
where:
Base-Base interactions energy: -1487.817
where: short stacking energy: -624.958
Base-Backbone interact. energy: -0.372
local terms energy: -658.896842
where:
bonds (distance) C4'-P energy: -117.370
bonds (distance) P-C4' energy: -135.027
flat angles C4'-P-C4' energy: -140.695
flat angles P-C4'-P energy: -88.160
tors. eta vs tors. theta energy: -177.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2074.207842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.207842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.207842 (E_RNA)
where:
Base-Base interactions energy: -1421.489
where: short stacking energy: -611.129
Base-Backbone interact. energy: -1.791
local terms energy: -650.928566
where:
bonds (distance) C4'-P energy: -120.401
bonds (distance) P-C4' energy: -130.592
flat angles C4'-P-C4' energy: -130.663
flat angles P-C4'-P energy: -88.482
tors. eta vs tors. theta energy: -180.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1758.284448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.284448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.284448 (E_RNA)
where:
Base-Base interactions energy: -1161.398
where: short stacking energy: -514.808
Base-Backbone interact. energy: -1.388
local terms energy: -595.498997
where:
bonds (distance) C4'-P energy: -136.209
bonds (distance) P-C4' energy: -127.191
flat angles C4'-P-C4' energy: -109.902
flat angles P-C4'-P energy: -90.351
tors. eta vs tors. theta energy: -131.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1422.746249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.746249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.746249 (E_RNA)
where:
Base-Base interactions energy: -923.572
where: short stacking energy: -424.757
Base-Backbone interact. energy: -1.340
local terms energy: -497.834729
where:
bonds (distance) C4'-P energy: -106.298
bonds (distance) P-C4' energy: -118.478
flat angles C4'-P-C4' energy: -124.175
flat angles P-C4'-P energy: -73.225
tors. eta vs tors. theta energy: -75.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1220.026552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.026552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.026552 (E_RNA)
where:
Base-Base interactions energy: -771.665
where: short stacking energy: -378.639
Base-Backbone interact. energy: 0.879
local terms energy: -449.240706
where:
bonds (distance) C4'-P energy: -95.394
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -67.715
tors. eta vs tors. theta energy: -76.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1051.191974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.191974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.191974 (E_RNA)
where:
Base-Base interactions energy: -643.632
where: short stacking energy: -325.407
Base-Backbone interact. energy: 2.432
local terms energy: -409.991837
where:
bonds (distance) C4'-P energy: -93.276
bonds (distance) P-C4' energy: -115.015
flat angles C4'-P-C4' energy: -92.857
flat angles P-C4'-P energy: -68.314
tors. eta vs tors. theta energy: -40.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2608.627115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.627115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.627115 (E_RNA)
where:
Base-Base interactions energy: -1780.757
where: short stacking energy: -789.034
Base-Backbone interact. energy: -2.783
local terms energy: -825.087334
where:
bonds (distance) C4'-P energy: -146.521
bonds (distance) P-C4' energy: -145.792
flat angles C4'-P-C4' energy: -174.250
flat angles P-C4'-P energy: -117.119
tors. eta vs tors. theta energy: -241.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2487.243929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.243929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.243929 (E_RNA)
where:
Base-Base interactions energy: -1721.424
where: short stacking energy: -747.842
Base-Backbone interact. energy: -3.079
local terms energy: -762.740800
where:
bonds (distance) C4'-P energy: -132.988
bonds (distance) P-C4' energy: -147.853
flat angles C4'-P-C4' energy: -154.620
flat angles P-C4'-P energy: -108.870
tors. eta vs tors. theta energy: -218.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2370.651391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.651391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.651391 (E_RNA)
where:
Base-Base interactions energy: -1661.833
where: short stacking energy: -674.164
Base-Backbone interact. energy: 1.861
local terms energy: -710.679246
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -133.972
flat angles C4'-P-C4' energy: -158.655
flat angles P-C4'-P energy: -107.474
tors. eta vs tors. theta energy: -172.004
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: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2235.020190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.020190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.020190 (E_RNA)
where:
Base-Base interactions energy: -1550.054
where: short stacking energy: -650.280
Base-Backbone interact. energy: -1.983
local terms energy: -682.983204
where:
bonds (distance) C4'-P energy: -120.738
bonds (distance) P-C4' energy: -127.698
flat angles C4'-P-C4' energy: -148.661
flat angles P-C4'-P energy: -105.616
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: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2143.448055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.448055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.448055 (E_RNA)
where:
Base-Base interactions energy: -1471.021
where: short stacking energy: -610.494
Base-Backbone interact. energy: -2.805
local terms energy: -669.622218
where:
bonds (distance) C4'-P energy: -118.249
bonds (distance) P-C4' energy: -132.990
flat angles C4'-P-C4' energy: -148.295
flat angles P-C4'-P energy: -94.335
tors. eta vs tors. theta energy: -175.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2048.206740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.206740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.206740 (E_RNA)
where:
Base-Base interactions energy: -1424.719
where: short stacking energy: -614.655
Base-Backbone interact. energy: 0.545
local terms energy: -624.032395
where:
bonds (distance) C4'-P energy: -128.736
bonds (distance) P-C4' energy: -94.230
flat angles C4'-P-C4' energy: -136.061
flat angles P-C4'-P energy: -89.738
tors. eta vs tors. theta energy: -175.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1741.090418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.090418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.090418 (E_RNA)
where:
Base-Base interactions energy: -1180.993
where: short stacking energy: -522.719
Base-Backbone interact. energy: -1.055
local terms energy: -559.042857
where:
bonds (distance) C4'-P energy: -92.533
bonds (distance) P-C4' energy: -104.755
flat angles C4'-P-C4' energy: -142.450
flat angles P-C4'-P energy: -83.026
tors. eta vs tors. theta energy: -136.278
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: 367
Temperature: 1.250000
Total energy: -1409.749907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.749907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.749907 (E_RNA)
where:
Base-Base interactions energy: -883.405
where: short stacking energy: -403.588
Base-Backbone interact. energy: 2.869
local terms energy: -529.213914
where:
bonds (distance) C4'-P energy: -121.651
bonds (distance) P-C4' energy: -127.880
flat angles C4'-P-C4' energy: -129.925
flat angles P-C4'-P energy: -80.691
tors. eta vs tors. theta energy: -69.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1208.211124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.211124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.211124 (E_RNA)
where:
Base-Base interactions energy: -726.294
where: short stacking energy: -353.780
Base-Backbone interact. energy: 2.031
local terms energy: -483.948933
where:
bonds (distance) C4'-P energy: -109.250
bonds (distance) P-C4' energy: -124.818
flat angles C4'-P-C4' energy: -106.673
flat angles P-C4'-P energy: -62.742
tors. eta vs tors. theta energy: -80.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1041.090001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.090001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.090001 (E_RNA)
where:
Base-Base interactions energy: -608.986
where: short stacking energy: -317.623
Base-Backbone interact. energy: 0.609
local terms energy: -432.713318
where:
bonds (distance) C4'-P energy: -125.285
bonds (distance) P-C4' energy: -116.349
flat angles C4'-P-C4' energy: -122.462
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -28.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2615.501087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.501087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.501087 (E_RNA)
where:
Base-Base interactions energy: -1801.713
where: short stacking energy: -783.136
Base-Backbone interact. energy: -1.973
local terms energy: -811.815101
where:
bonds (distance) C4'-P energy: -151.114
bonds (distance) P-C4' energy: -152.927
flat angles C4'-P-C4' energy: -157.196
flat angles P-C4'-P energy: -110.890
tors. eta vs tors. theta energy: -239.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2463.966517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.966517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.966517 (E_RNA)
where:
Base-Base interactions energy: -1707.656
where: short stacking energy: -746.254
Base-Backbone interact. energy: -4.919
local terms energy: -751.391220
where:
bonds (distance) C4'-P energy: -134.604
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -147.558
flat angles P-C4'-P energy: -110.421
tors. eta vs tors. theta energy: -218.979
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: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2364.287523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.287523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.287523 (E_RNA)
where:
Base-Base interactions energy: -1661.854
where: short stacking energy: -678.400
Base-Backbone interact. energy: -5.182
local terms energy: -697.250857
where:
bonds (distance) C4'-P energy: -140.348
bonds (distance) P-C4' energy: -133.219
flat angles C4'-P-C4' energy: -156.670
flat angles P-C4'-P energy: -85.686
tors. eta vs tors. theta energy: -181.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2260.734063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.734063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.734063 (E_RNA)
where:
Base-Base interactions energy: -1534.426
where: short stacking energy: -618.703
Base-Backbone interact. energy: -3.184
local terms energy: -723.124426
where:
bonds (distance) C4'-P energy: -129.083
bonds (distance) P-C4' energy: -151.128
flat angles C4'-P-C4' energy: -148.209
flat angles P-C4'-P energy: -104.914
tors. eta vs tors. theta energy: -189.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2163.560748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.560748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.560748 (E_RNA)
where:
Base-Base interactions energy: -1504.022
where: short stacking energy: -631.335
Base-Backbone interact. energy: -2.783
local terms energy: -656.755157
where:
bonds (distance) C4'-P energy: -127.226
bonds (distance) P-C4' energy: -114.242
flat angles C4'-P-C4' energy: -144.375
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: -187.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1989.743525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.743525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.743525 (E_RNA)
where:
Base-Base interactions energy: -1355.496
where: short stacking energy: -578.531
Base-Backbone interact. energy: -2.868
local terms energy: -631.379188
where:
bonds (distance) C4'-P energy: -115.424
bonds (distance) P-C4' energy: -102.224
flat angles C4'-P-C4' energy: -146.285
flat angles P-C4'-P energy: -99.218
tors. eta vs tors. theta energy: -168.228
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: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1767.599475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.599475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.599475 (E_RNA)
where:
Base-Base interactions energy: -1207.479
where: short stacking energy: -523.956
Base-Backbone interact. energy: -2.794
local terms energy: -557.326376
where:
bonds (distance) C4'-P energy: -92.423
bonds (distance) P-C4' energy: -117.640
flat angles C4'-P-C4' energy: -122.656
flat angles P-C4'-P energy: -91.058
tors. eta vs tors. theta energy: -133.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1429.203632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.203632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.203632 (E_RNA)
where:
Base-Base interactions energy: -912.670
where: short stacking energy: -417.811
Base-Backbone interact. energy: 0.053
local terms energy: -516.586432
where:
bonds (distance) C4'-P energy: -118.979
bonds (distance) P-C4' energy: -113.077
flat angles C4'-P-C4' energy: -138.577
flat angles P-C4'-P energy: -70.916
tors. eta vs tors. theta energy: -75.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1187.245677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.245677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.245677 (E_RNA)
where:
Base-Base interactions energy: -705.835
where: short stacking energy: -376.884
Base-Backbone interact. energy: 4.518
local terms energy: -485.928269
where:
bonds (distance) C4'-P energy: -106.085
bonds (distance) P-C4' energy: -133.339
flat angles C4'-P-C4' energy: -113.213
flat angles P-C4'-P energy: -65.654
tors. eta vs tors. theta energy: -67.637
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: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1023.974604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.974604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.974604 (E_RNA)
where:
Base-Base interactions energy: -596.571
where: short stacking energy: -295.180
Base-Backbone interact. energy: 5.314
local terms energy: -432.717363
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -108.836
flat angles C4'-P-C4' energy: -110.074
flat angles P-C4'-P energy: -67.882
tors. eta vs tors. theta energy: -36.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2615.448145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.448145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.448145 (E_RNA)
where:
Base-Base interactions energy: -1825.017
where: short stacking energy: -799.871
Base-Backbone interact. energy: 1.431
local terms energy: -791.862578
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -146.824
flat angles C4'-P-C4' energy: -170.177
flat angles P-C4'-P energy: -106.789
tors. eta vs tors. theta energy: -239.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2495.278074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.278074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.278074 (E_RNA)
where:
Base-Base interactions energy: -1738.009
where: short stacking energy: -765.008
Base-Backbone interact. energy: -0.151
local terms energy: -757.117846
where:
bonds (distance) C4'-P energy: -127.564
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -166.513
flat angles P-C4'-P energy: -114.395
tors. eta vs tors. theta energy: -220.588
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2355.616397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.616397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.616397 (E_RNA)
where:
Base-Base interactions energy: -1685.126
where: short stacking energy: -688.135
Base-Backbone interact. energy: -1.507
local terms energy: -668.982776
where:
bonds (distance) C4'-P energy: -128.886
bonds (distance) P-C4' energy: -143.253
flat angles C4'-P-C4' energy: -126.183
flat angles P-C4'-P energy: -98.647
tors. eta vs tors. theta energy: -172.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2306.696038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.696038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.696038 (E_RNA)
where:
Base-Base interactions energy: -1598.307
where: short stacking energy: -694.507
Base-Backbone interact. energy: -2.107
local terms energy: -706.282436
where:
bonds (distance) C4'-P energy: -125.326
bonds (distance) P-C4' energy: -128.871
flat angles C4'-P-C4' energy: -156.454
flat angles P-C4'-P energy: -93.424
tors. eta vs tors. theta energy: -202.208
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: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2133.789279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.789279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.789279 (E_RNA)
where:
Base-Base interactions energy: -1483.673
where: short stacking energy: -625.146
Base-Backbone interact. energy: -1.335
local terms energy: -648.780938
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -141.674
flat angles C4'-P-C4' energy: -141.877
flat angles P-C4'-P energy: -96.468
tors. eta vs tors. theta energy: -165.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2018.472815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.472815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.472815 (E_RNA)
where:
Base-Base interactions energy: -1402.886
where: short stacking energy: -604.209
Base-Backbone interact. energy: -3.688
local terms energy: -611.899148
where:
bonds (distance) C4'-P energy: -117.402
bonds (distance) P-C4' energy: -109.683
flat angles C4'-P-C4' energy: -140.515
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -166.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1771.792809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.792809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.792809 (E_RNA)
where:
Base-Base interactions energy: -1181.705
where: short stacking energy: -527.580
Base-Backbone interact. energy: -1.716
local terms energy: -588.371394
where:
bonds (distance) C4'-P energy: -127.803
bonds (distance) P-C4' energy: -111.860
flat angles C4'-P-C4' energy: -118.487
flat angles P-C4'-P energy: -97.987
tors. eta vs tors. theta energy: -132.234
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: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1370.528726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.528726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.528726 (E_RNA)
where:
Base-Base interactions energy: -875.054
where: short stacking energy: -416.642
Base-Backbone interact. energy: -1.300
local terms energy: -494.175090
where:
bonds (distance) C4'-P energy: -104.768
bonds (distance) P-C4' energy: -112.731
flat angles C4'-P-C4' energy: -105.647
flat angles P-C4'-P energy: -76.215
tors. eta vs tors. theta energy: -94.814
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: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1255.174243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.174243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.174243 (E_RNA)
where:
Base-Base interactions energy: -778.054
where: short stacking energy: -360.919
Base-Backbone interact. energy: -5.657
local terms energy: -471.463622
where:
bonds (distance) C4'-P energy: -113.362
bonds (distance) P-C4' energy: -114.651
flat angles C4'-P-C4' energy: -115.471
flat angles P-C4'-P energy: -72.653
tors. eta vs tors. theta energy: -55.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1057.219297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.219297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.219297 (E_RNA)
where:
Base-Base interactions energy: -615.893
where: short stacking energy: -285.203
Base-Backbone interact. energy: 11.423
local terms energy: -452.749807
where:
bonds (distance) C4'-P energy: -101.145
bonds (distance) P-C4' energy: -115.106
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -70.108
tors. eta vs tors. theta energy: -37.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2604.731269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.731269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.731269 (E_RNA)
where:
Base-Base interactions energy: -1835.180
where: short stacking energy: -791.758
Base-Backbone interact. energy: -2.757
local terms energy: -766.794857
where:
bonds (distance) C4'-P energy: -129.904
bonds (distance) P-C4' energy: -127.999
flat angles C4'-P-C4' energy: -169.459
flat angles P-C4'-P energy: -97.014
tors. eta vs tors. theta energy: -242.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2485.539795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.539795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.539795 (E_RNA)
where:
Base-Base interactions energy: -1747.831
where: short stacking energy: -755.361
Base-Backbone interact. energy: -1.836
local terms energy: -735.873125
where:
bonds (distance) C4'-P energy: -136.968
bonds (distance) P-C4' energy: -128.699
flat angles C4'-P-C4' energy: -157.589
flat angles P-C4'-P energy: -96.499
tors. eta vs tors. theta energy: -216.119
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: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2401.513816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.513816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.513816 (E_RNA)
where:
Base-Base interactions energy: -1685.146
where: short stacking energy: -686.814
Base-Backbone interact. energy: -3.544
local terms energy: -712.824066
where:
bonds (distance) C4'-P energy: -137.707
bonds (distance) P-C4' energy: -147.462
flat angles C4'-P-C4' energy: -145.132
flat angles P-C4'-P energy: -96.954
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: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2296.966608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.966608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.966608 (E_RNA)
where:
Base-Base interactions energy: -1599.647
where: short stacking energy: -656.586
Base-Backbone interact. energy: -2.402
local terms energy: -694.918334
where:
bonds (distance) C4'-P energy: -123.590
bonds (distance) P-C4' energy: -122.668
flat angles C4'-P-C4' energy: -148.561
flat angles P-C4'-P energy: -104.509
tors. eta vs tors. theta energy: -195.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2167.246951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.246951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.246951 (E_RNA)
where:
Base-Base interactions energy: -1478.713
where: short stacking energy: -641.201
Base-Backbone interact. energy: -4.633
local terms energy: -683.900512
where:
bonds (distance) C4'-P energy: -117.231
bonds (distance) P-C4' energy: -132.081
flat angles C4'-P-C4' energy: -138.530
flat angles P-C4'-P energy: -109.266
tors. eta vs tors. theta energy: -186.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2036.470800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.470800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.470800 (E_RNA)
where:
Base-Base interactions energy: -1381.904
where: short stacking energy: -583.361
Base-Backbone interact. energy: -2.145
local terms energy: -652.421420
where:
bonds (distance) C4'-P energy: -111.147
bonds (distance) P-C4' energy: -144.850
flat angles C4'-P-C4' energy: -135.657
flat angles P-C4'-P energy: -92.740
tors. eta vs tors. theta energy: -168.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1761.046580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.046580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.046580 (E_RNA)
where:
Base-Base interactions energy: -1176.762
where: short stacking energy: -508.348
Base-Backbone interact. energy: 0.713
local terms energy: -584.997125
where:
bonds (distance) C4'-P energy: -129.562
bonds (distance) P-C4' energy: -114.672
flat angles C4'-P-C4' energy: -148.990
flat angles P-C4'-P energy: -74.823
tors. eta vs tors. theta energy: -116.951
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: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1408.383330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.383330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.383330 (E_RNA)
where:
Base-Base interactions energy: -878.528
where: short stacking energy: -408.669
Base-Backbone interact. energy: -0.547
local terms energy: -529.308542
where:
bonds (distance) C4'-P energy: -121.679
bonds (distance) P-C4' energy: -128.649
flat angles C4'-P-C4' energy: -118.662
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -89.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1230.767798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.767798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.767798 (E_RNA)
where:
Base-Base interactions energy: -725.569
where: short stacking energy: -336.200
Base-Backbone interact. energy: -0.090
local terms energy: -505.108096
where:
bonds (distance) C4'-P energy: -119.556
bonds (distance) P-C4' energy: -114.121
flat angles C4'-P-C4' energy: -130.165
flat angles P-C4'-P energy: -55.743
tors. eta vs tors. theta energy: -85.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1064.890494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.890494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.890494 (E_RNA)
where:
Base-Base interactions energy: -643.723
where: short stacking energy: -297.857
Base-Backbone interact. energy: 0.345
local terms energy: -421.513356
where:
bonds (distance) C4'-P energy: -122.038
bonds (distance) P-C4' energy: -110.336
flat angles C4'-P-C4' energy: -115.407
flat angles P-C4'-P energy: -44.131
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2608.373747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.373747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.373747 (E_RNA)
where:
Base-Base interactions energy: -1796.960
where: short stacking energy: -791.462
Base-Backbone interact. energy: -6.141
local terms energy: -805.273104
where:
bonds (distance) C4'-P energy: -139.054
bonds (distance) P-C4' energy: -140.247
flat angles C4'-P-C4' energy: -174.952
flat angles P-C4'-P energy: -102.607
tors. eta vs tors. theta energy: -248.413
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2495.794407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.794407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.794407 (E_RNA)
where:
Base-Base interactions energy: -1724.895
where: short stacking energy: -736.201
Base-Backbone interact. energy: 0.207
local terms energy: -771.106185
where:
bonds (distance) C4'-P energy: -151.926
bonds (distance) P-C4' energy: -140.690
flat angles C4'-P-C4' energy: -151.521
flat angles P-C4'-P energy: -105.656
tors. eta vs tors. theta energy: -221.313
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: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2295.882826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.882826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.882826 (E_RNA)
where:
Base-Base interactions energy: -1622.491
where: short stacking energy: -662.811
Base-Backbone interact. energy: -2.880
local terms energy: -670.511684
where:
bonds (distance) C4'-P energy: -128.669
bonds (distance) P-C4' energy: -128.569
flat angles C4'-P-C4' energy: -144.603
flat angles P-C4'-P energy: -93.835
tors. eta vs tors. theta energy: -174.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2298.245197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.245197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.245197 (E_RNA)
where:
Base-Base interactions energy: -1586.224
where: short stacking energy: -691.492
Base-Backbone interact. energy: 0.455
local terms energy: -712.476334
where:
bonds (distance) C4'-P energy: -138.420
bonds (distance) P-C4' energy: -138.935
flat angles C4'-P-C4' energy: -152.662
flat angles P-C4'-P energy: -100.914
tors. eta vs tors. theta energy: -181.544
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: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2144.069616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.069616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.069616 (E_RNA)
where:
Base-Base interactions energy: -1483.269
where: short stacking energy: -630.608
Base-Backbone interact. energy: 0.110
local terms energy: -660.910107
where:
bonds (distance) C4'-P energy: -122.416
bonds (distance) P-C4' energy: -137.383
flat angles C4'-P-C4' energy: -143.692
flat angles P-C4'-P energy: -75.425
tors. eta vs tors. theta energy: -181.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2018.008976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.008976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.008976 (E_RNA)
where:
Base-Base interactions energy: -1364.562
where: short stacking energy: -589.841
Base-Backbone interact. energy: 0.125
local terms energy: -653.571827
where:
bonds (distance) C4'-P energy: -121.172
bonds (distance) P-C4' energy: -123.025
flat angles C4'-P-C4' energy: -149.491
flat angles P-C4'-P energy: -97.287
tors. eta vs tors. theta energy: -162.597
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: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1713.048077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.048077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.048077 (E_RNA)
where:
Base-Base interactions energy: -1130.615
where: short stacking energy: -497.605
Base-Backbone interact. energy: 2.577
local terms energy: -585.010258
where:
bonds (distance) C4'-P energy: -125.653
bonds (distance) P-C4' energy: -124.483
flat angles C4'-P-C4' energy: -118.440
flat angles P-C4'-P energy: -87.596
tors. eta vs tors. theta energy: -128.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1361.076911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.076911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.076911 (E_RNA)
where:
Base-Base interactions energy: -862.260
where: short stacking energy: -388.977
Base-Backbone interact. energy: 2.708
local terms energy: -501.525494
where:
bonds (distance) C4'-P energy: -112.613
bonds (distance) P-C4' energy: -117.247
flat angles C4'-P-C4' energy: -122.227
flat angles P-C4'-P energy: -83.181
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: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1247.654843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.654843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.654843 (E_RNA)
where:
Base-Base interactions energy: -769.119
where: short stacking energy: -343.171
Base-Backbone interact. energy: -1.032
local terms energy: -477.504693
where:
bonds (distance) C4'-P energy: -114.337
bonds (distance) P-C4' energy: -113.293
flat angles C4'-P-C4' energy: -122.399
flat angles P-C4'-P energy: -81.865
tors. eta vs tors. theta energy: -45.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1001.738653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.738653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.738653 (E_RNA)
where:
Base-Base interactions energy: -604.359
where: short stacking energy: -301.117
Base-Backbone interact. energy: 3.949
local terms energy: -401.328280
where:
bonds (distance) C4'-P energy: -115.023
bonds (distance) P-C4' energy: -114.507
flat angles C4'-P-C4' energy: -105.476
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -28.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2593.898234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.898234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.898234 (E_RNA)
where:
Base-Base interactions energy: -1799.994
where: short stacking energy: -790.585
Base-Backbone interact. energy: 0.705
local terms energy: -794.609561
where:
bonds (distance) C4'-P energy: -144.677
bonds (distance) P-C4' energy: -136.376
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -108.782
tors. eta vs tors. theta energy: -244.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2495.285764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.285764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.285764 (E_RNA)
where:
Base-Base interactions energy: -1743.990
where: short stacking energy: -744.926
Base-Backbone interact. energy: -1.710
local terms energy: -749.585540
where:
bonds (distance) C4'-P energy: -123.957
bonds (distance) P-C4' energy: -130.172
flat angles C4'-P-C4' energy: -161.198
flat angles P-C4'-P energy: -113.147
tors. eta vs tors. theta energy: -221.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2342.034672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.034672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.034672 (E_RNA)
where:
Base-Base interactions energy: -1667.478
where: short stacking energy: -671.718
Base-Backbone interact. energy: -3.242
local terms energy: -671.315088
where:
bonds (distance) C4'-P energy: -128.677
bonds (distance) P-C4' energy: -129.534
flat angles C4'-P-C4' energy: -143.271
flat angles P-C4'-P energy: -98.485
tors. eta vs tors. theta energy: -171.348
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: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2271.622892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.622892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.622892 (E_RNA)
where:
Base-Base interactions energy: -1592.080
where: short stacking energy: -680.520
Base-Backbone interact. energy: -2.151
local terms energy: -677.391880
where:
bonds (distance) C4'-P energy: -118.343
bonds (distance) P-C4' energy: -118.691
flat angles C4'-P-C4' energy: -143.586
flat angles P-C4'-P energy: -98.962
tors. eta vs tors. theta energy: -197.810
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: 372
Temperature: 1.100000
Total energy: -2109.516720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.516720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.516720 (E_RNA)
where:
Base-Base interactions energy: -1436.899
where: short stacking energy: -600.740
Base-Backbone interact. energy: 2.149
local terms energy: -674.767194
where:
bonds (distance) C4'-P energy: -123.375
bonds (distance) P-C4' energy: -140.266
flat angles C4'-P-C4' energy: -147.564
flat angles P-C4'-P energy: -95.130
tors. eta vs tors. theta energy: -168.432
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: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2093.849902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.849902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.849902 (E_RNA)
where:
Base-Base interactions energy: -1443.614
where: short stacking energy: -604.605
Base-Backbone interact. energy: 0.579
local terms energy: -650.814893
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -113.183
flat angles C4'-P-C4' energy: -150.178
flat angles P-C4'-P energy: -93.127
tors. eta vs tors. theta energy: -175.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1714.256948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.256948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.256948 (E_RNA)
where:
Base-Base interactions energy: -1133.758
where: short stacking energy: -492.478
Base-Backbone interact. energy: 2.905
local terms energy: -583.403530
where:
bonds (distance) C4'-P energy: -124.499
bonds (distance) P-C4' energy: -132.179
flat angles C4'-P-C4' energy: -126.739
flat angles P-C4'-P energy: -72.280
tors. eta vs tors. theta energy: -127.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1350.843574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.843574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.843574 (E_RNA)
where:
Base-Base interactions energy: -861.410
where: short stacking energy: -409.163
Base-Backbone interact. energy: 0.318
local terms energy: -489.752118
where:
bonds (distance) C4'-P energy: -107.804
bonds (distance) P-C4' energy: -101.548
flat angles C4'-P-C4' energy: -144.304
flat angles P-C4'-P energy: -56.891
tors. eta vs tors. theta energy: -79.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1240.075462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.075462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.075462 (E_RNA)
where:
Base-Base interactions energy: -775.575
where: short stacking energy: -357.440
Base-Backbone interact. energy: 0.508
local terms energy: -465.007659
where:
bonds (distance) C4'-P energy: -103.861
bonds (distance) P-C4' energy: -113.577
flat angles C4'-P-C4' energy: -99.978
flat angles P-C4'-P energy: -77.843
tors. eta vs tors. theta energy: -69.749
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: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1007.224614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.224614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.224614 (E_RNA)
where:
Base-Base interactions energy: -620.389
where: short stacking energy: -289.517
Base-Backbone interact. energy: -2.428
local terms energy: -384.407931
where:
bonds (distance) C4'-P energy: -88.638
bonds (distance) P-C4' energy: -112.198
flat angles C4'-P-C4' energy: -95.399
flat angles P-C4'-P energy: -66.268
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2603.697128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.697128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.697128 (E_RNA)
where:
Base-Base interactions energy: -1777.438
where: short stacking energy: -772.541
Base-Backbone interact. energy: -4.593
local terms energy: -821.665910
where:
bonds (distance) C4'-P energy: -152.928
bonds (distance) P-C4' energy: -137.410
flat angles C4'-P-C4' energy: -166.741
flat angles P-C4'-P energy: -123.711
tors. eta vs tors. theta energy: -240.877
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: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2498.122859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.122859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.122859 (E_RNA)
where:
Base-Base interactions energy: -1722.192
where: short stacking energy: -767.031
Base-Backbone interact. energy: -2.298
local terms energy: -773.632944
where:
bonds (distance) C4'-P energy: -142.362
bonds (distance) P-C4' energy: -151.382
flat angles C4'-P-C4' energy: -159.723
flat angles P-C4'-P energy: -100.541
tors. eta vs tors. theta energy: -219.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2335.187547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.187547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.187547 (E_RNA)
where:
Base-Base interactions energy: -1638.319
where: short stacking energy: -663.424
Base-Backbone interact. energy: -3.931
local terms energy: -692.937589
where:
bonds (distance) C4'-P energy: -128.737
bonds (distance) P-C4' energy: -134.330
flat angles C4'-P-C4' energy: -155.448
flat angles P-C4'-P energy: -103.591
tors. eta vs tors. theta energy: -170.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2305.281906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.281906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.281906 (E_RNA)
where:
Base-Base interactions energy: -1595.533
where: short stacking energy: -671.343
Base-Backbone interact. energy: -2.277
local terms energy: -707.472019
where:
bonds (distance) C4'-P energy: -139.636
bonds (distance) P-C4' energy: -132.701
flat angles C4'-P-C4' energy: -152.809
flat angles P-C4'-P energy: -89.812
tors. eta vs tors. theta energy: -192.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2101.568402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.568402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.568402 (E_RNA)
where:
Base-Base interactions energy: -1434.375
where: short stacking energy: -639.251
Base-Backbone interact. energy: 2.396
local terms energy: -669.589996
where:
bonds (distance) C4'-P energy: -116.206
bonds (distance) P-C4' energy: -136.806
flat angles C4'-P-C4' energy: -145.842
flat angles P-C4'-P energy: -88.924
tors. eta vs tors. theta energy: -181.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2095.123506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.123506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.123506 (E_RNA)
where:
Base-Base interactions energy: -1426.095
where: short stacking energy: -628.455
Base-Backbone interact. energy: 6.285
local terms energy: -675.312572
where:
bonds (distance) C4'-P energy: -139.443
bonds (distance) P-C4' energy: -121.605
flat angles C4'-P-C4' energy: -146.989
flat angles P-C4'-P energy: -91.138
tors. eta vs tors. theta energy: -176.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1678.386992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.386992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.386992 (E_RNA)
where:
Base-Base interactions energy: -1116.988
where: short stacking energy: -451.113
Base-Backbone interact. energy: 4.280
local terms energy: -565.678915
where:
bonds (distance) C4'-P energy: -114.859
bonds (distance) P-C4' energy: -126.518
flat angles C4'-P-C4' energy: -135.642
flat angles P-C4'-P energy: -71.019
tors. eta vs tors. theta energy: -117.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1349.403990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.403990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.403990 (E_RNA)
where:
Base-Base interactions energy: -840.709
where: short stacking energy: -393.520
Base-Backbone interact. energy: 0.618
local terms energy: -509.313098
where:
bonds (distance) C4'-P energy: -96.265
bonds (distance) P-C4' energy: -140.162
flat angles C4'-P-C4' energy: -120.402
flat angles P-C4'-P energy: -67.222
tors. eta vs tors. theta energy: -85.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1254.748506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.748506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.748506 (E_RNA)
where:
Base-Base interactions energy: -778.625
where: short stacking energy: -366.313
Base-Backbone interact. energy: -2.238
local terms energy: -473.885836
where:
bonds (distance) C4'-P energy: -122.253
bonds (distance) P-C4' energy: -119.343
flat angles C4'-P-C4' energy: -112.090
flat angles P-C4'-P energy: -76.257
tors. eta vs tors. theta energy: -43.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -969.073420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.073420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.073420 (E_RNA)
where:
Base-Base interactions energy: -558.880
where: short stacking energy: -288.786
Base-Backbone interact. energy: 0.867
local terms energy: -411.059877
where:
bonds (distance) C4'-P energy: -87.103
bonds (distance) P-C4' energy: -122.579
flat angles C4'-P-C4' energy: -105.999
flat angles P-C4'-P energy: -66.144
tors. eta vs tors. theta energy: -29.236
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: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2589.248339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.248339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.248339 (E_RNA)
where:
Base-Base interactions energy: -1800.488
where: short stacking energy: -783.325
Base-Backbone interact. energy: -2.622
local terms energy: -786.137619
where:
bonds (distance) C4'-P energy: -141.783
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -158.931
flat angles P-C4'-P energy: -99.747
tors. eta vs tors. theta energy: -250.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2470.844198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.844198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.844198 (E_RNA)
where:
Base-Base interactions energy: -1704.904
where: short stacking energy: -728.142
Base-Backbone interact. energy: -3.205
local terms energy: -762.735453
where:
bonds (distance) C4'-P energy: -152.369
bonds (distance) P-C4' energy: -134.642
flat angles C4'-P-C4' energy: -152.504
flat angles P-C4'-P energy: -110.170
tors. eta vs tors. theta energy: -213.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2377.025285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.025285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.025285 (E_RNA)
where:
Base-Base interactions energy: -1644.765
where: short stacking energy: -709.824
Base-Backbone interact. energy: -3.775
local terms energy: -728.485667
where:
bonds (distance) C4'-P energy: -121.800
bonds (distance) P-C4' energy: -141.238
flat angles C4'-P-C4' energy: -156.895
flat angles P-C4'-P energy: -105.668
tors. eta vs tors. theta energy: -202.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2274.496154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.496154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.496154 (E_RNA)
where:
Base-Base interactions energy: -1590.128
where: short stacking energy: -642.161
Base-Backbone interact. energy: -0.633
local terms energy: -683.735423
where:
bonds (distance) C4'-P energy: -134.057
bonds (distance) P-C4' energy: -136.804
flat angles C4'-P-C4' energy: -140.369
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -180.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2113.473666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.473666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.473666 (E_RNA)
where:
Base-Base interactions energy: -1429.100
where: short stacking energy: -626.847
Base-Backbone interact. energy: -2.281
local terms energy: -682.092297
where:
bonds (distance) C4'-P energy: -139.192
bonds (distance) P-C4' energy: -131.863
flat angles C4'-P-C4' energy: -130.414
flat angles P-C4'-P energy: -83.992
tors. eta vs tors. theta energy: -196.631
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: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2042.948310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.948310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.948310 (E_RNA)
where:
Base-Base interactions energy: -1396.646
where: short stacking energy: -610.775
Base-Backbone interact. energy: 0.553
local terms energy: -646.855464
where:
bonds (distance) C4'-P energy: -121.555
bonds (distance) P-C4' energy: -115.849
flat angles C4'-P-C4' energy: -139.707
flat angles P-C4'-P energy: -96.246
tors. eta vs tors. theta energy: -173.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1767.465979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.465979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.465979 (E_RNA)
where:
Base-Base interactions energy: -1188.431
where: short stacking energy: -536.702
Base-Backbone interact. energy: -3.577
local terms energy: -575.458238
where:
bonds (distance) C4'-P energy: -96.228
bonds (distance) P-C4' energy: -129.863
flat angles C4'-P-C4' energy: -129.513
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -139.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1360.919702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.919702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.919702 (E_RNA)
where:
Base-Base interactions energy: -851.812
where: short stacking energy: -413.622
Base-Backbone interact. energy: -3.669
local terms energy: -505.437826
where:
bonds (distance) C4'-P energy: -99.124
bonds (distance) P-C4' energy: -129.258
flat angles C4'-P-C4' energy: -118.870
flat angles P-C4'-P energy: -70.475
tors. eta vs tors. theta energy: -87.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1231.973003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.973003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.973003 (E_RNA)
where:
Base-Base interactions energy: -732.627
where: short stacking energy: -370.220
Base-Backbone interact. energy: 0.829
local terms energy: -500.175094
where:
bonds (distance) C4'-P energy: -122.608
bonds (distance) P-C4' energy: -104.526
flat angles C4'-P-C4' energy: -113.751
flat angles P-C4'-P energy: -83.208
tors. eta vs tors. theta energy: -76.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1015.153620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.153620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.153620 (E_RNA)
where:
Base-Base interactions energy: -568.113
where: short stacking energy: -285.152
Base-Backbone interact. energy: 2.116
local terms energy: -449.156975
where:
bonds (distance) C4'-P energy: -119.489
bonds (distance) P-C4' energy: -109.756
flat angles C4'-P-C4' energy: -120.921
flat angles P-C4'-P energy: -72.373
tors. eta vs tors. theta energy: -26.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2607.632353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.632353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.632353 (E_RNA)
where:
Base-Base interactions energy: -1838.065
where: short stacking energy: -814.448
Base-Backbone interact. energy: -4.105
local terms energy: -765.461713
where:
bonds (distance) C4'-P energy: -124.403
bonds (distance) P-C4' energy: -136.849
flat angles C4'-P-C4' energy: -153.597
flat angles P-C4'-P energy: -110.423
tors. eta vs tors. theta energy: -240.190
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: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2478.664773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.664773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.664773 (E_RNA)
where:
Base-Base interactions energy: -1726.776
where: short stacking energy: -736.788
Base-Backbone interact. energy: -2.247
local terms energy: -749.641095
where:
bonds (distance) C4'-P energy: -141.485
bonds (distance) P-C4' energy: -136.705
flat angles C4'-P-C4' energy: -152.433
flat angles P-C4'-P energy: -104.609
tors. eta vs tors. theta energy: -214.409
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: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2369.333221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.333221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.333221 (E_RNA)
where:
Base-Base interactions energy: -1649.698
where: short stacking energy: -693.039
Base-Backbone interact. energy: -3.917
local terms energy: -715.718593
where:
bonds (distance) C4'-P energy: -139.646
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -148.840
flat angles P-C4'-P energy: -97.337
tors. eta vs tors. theta energy: -193.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2288.268835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.268835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.268835 (E_RNA)
where:
Base-Base interactions energy: -1605.386
where: short stacking energy: -627.219
Base-Backbone interact. energy: -4.207
local terms energy: -678.676607
where:
bonds (distance) C4'-P energy: -135.234
bonds (distance) P-C4' energy: -138.024
flat angles C4'-P-C4' energy: -146.373
flat angles P-C4'-P energy: -100.047
tors. eta vs tors. theta energy: -158.999
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: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2125.469390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.469390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.469390 (E_RNA)
where:
Base-Base interactions energy: -1453.234
where: short stacking energy: -641.214
Base-Backbone interact. energy: -0.396
local terms energy: -671.839786
where:
bonds (distance) C4'-P energy: -122.074
bonds (distance) P-C4' energy: -122.324
flat angles C4'-P-C4' energy: -140.593
flat angles P-C4'-P energy: -106.422
tors. eta vs tors. theta energy: -180.427
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: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2095.947263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.947263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.947263 (E_RNA)
where:
Base-Base interactions energy: -1429.533
where: short stacking energy: -605.787
Base-Backbone interact. energy: -3.257
local terms energy: -663.157174
where:
bonds (distance) C4'-P energy: -133.810
bonds (distance) P-C4' energy: -128.550
flat angles C4'-P-C4' energy: -134.433
flat angles P-C4'-P energy: -100.592
tors. eta vs tors. theta energy: -165.772
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: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1700.599128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.599128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.599128 (E_RNA)
where:
Base-Base interactions energy: -1122.628
where: short stacking energy: -490.004
Base-Backbone interact. energy: -2.848
local terms energy: -575.123580
where:
bonds (distance) C4'-P energy: -117.525
bonds (distance) P-C4' energy: -124.734
flat angles C4'-P-C4' energy: -131.002
flat angles P-C4'-P energy: -83.450
tors. eta vs tors. theta energy: -118.412
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: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1381.501008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.501008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.501008 (E_RNA)
where:
Base-Base interactions energy: -852.496
where: short stacking energy: -426.952
Base-Backbone interact. energy: -0.070
local terms energy: -528.935032
where:
bonds (distance) C4'-P energy: -99.610
bonds (distance) P-C4' energy: -131.877
flat angles C4'-P-C4' energy: -119.585
flat angles P-C4'-P energy: -85.036
tors. eta vs tors. theta energy: -92.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1216.513859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.513859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.513859 (E_RNA)
where:
Base-Base interactions energy: -760.153
where: short stacking energy: -367.059
Base-Backbone interact. energy: -2.374
local terms energy: -453.987302
where:
bonds (distance) C4'-P energy: -102.887
bonds (distance) P-C4' energy: -111.008
flat angles C4'-P-C4' energy: -118.305
flat angles P-C4'-P energy: -48.167
tors. eta vs tors. theta energy: -73.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1029.287072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.287072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.287072 (E_RNA)
where:
Base-Base interactions energy: -597.441
where: short stacking energy: -295.359
Base-Backbone interact. energy: 0.173
local terms energy: -432.018288
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -112.019
flat angles C4'-P-C4' energy: -107.489
flat angles P-C4'-P energy: -62.344
tors. eta vs tors. theta energy: -38.893
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: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2584.300559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.300559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.300559 (E_RNA)
where:
Base-Base interactions energy: -1799.091
where: short stacking energy: -770.320
Base-Backbone interact. energy: -3.279
local terms energy: -781.930673
where:
bonds (distance) C4'-P energy: -137.963
bonds (distance) P-C4' energy: -130.369
flat angles C4'-P-C4' energy: -167.602
flat angles P-C4'-P energy: -113.314
tors. eta vs tors. theta energy: -232.682
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: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2482.529425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.529425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.529425 (E_RNA)
where:
Base-Base interactions energy: -1712.762
where: short stacking energy: -724.687
Base-Backbone interact. energy: -4.242
local terms energy: -765.525656
where:
bonds (distance) C4'-P energy: -143.389
bonds (distance) P-C4' energy: -139.924
flat angles C4'-P-C4' energy: -153.786
flat angles P-C4'-P energy: -108.596
tors. eta vs tors. theta energy: -219.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2411.241785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.241785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.241785 (E_RNA)
where:
Base-Base interactions energy: -1697.404
where: short stacking energy: -705.156
Base-Backbone interact. energy: -4.906
local terms energy: -708.932340
where:
bonds (distance) C4'-P energy: -119.290
bonds (distance) P-C4' energy: -132.981
flat angles C4'-P-C4' energy: -151.595
flat angles P-C4'-P energy: -100.654
tors. eta vs tors. theta energy: -204.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2255.372206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.372206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.372206 (E_RNA)
where:
Base-Base interactions energy: -1561.415
where: short stacking energy: -639.234
Base-Backbone interact. energy: -4.895
local terms energy: -689.062038
where:
bonds (distance) C4'-P energy: -125.202
bonds (distance) P-C4' energy: -142.774
flat angles C4'-P-C4' energy: -144.802
flat angles P-C4'-P energy: -102.651
tors. eta vs tors. theta energy: -173.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2214.041087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.041087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.041087 (E_RNA)
where:
Base-Base interactions energy: -1528.494
where: short stacking energy: -650.006
Base-Backbone interact. energy: 0.566
local terms energy: -686.112421
where:
bonds (distance) C4'-P energy: -129.396
bonds (distance) P-C4' energy: -125.063
flat angles C4'-P-C4' energy: -148.336
flat angles P-C4'-P energy: -86.505
tors. eta vs tors. theta energy: -196.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2081.332739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.332739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.332739 (E_RNA)
where:
Base-Base interactions energy: -1432.381
where: short stacking energy: -613.147
Base-Backbone interact. energy: -2.029
local terms energy: -646.923414
where:
bonds (distance) C4'-P energy: -130.573
bonds (distance) P-C4' energy: -126.096
flat angles C4'-P-C4' energy: -134.046
flat angles P-C4'-P energy: -84.512
tors. eta vs tors. theta energy: -171.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1709.328551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.328551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.328551 (E_RNA)
where:
Base-Base interactions energy: -1133.220
where: short stacking energy: -519.090
Base-Backbone interact. energy: -3.722
local terms energy: -572.386518
where:
bonds (distance) C4'-P energy: -114.272
bonds (distance) P-C4' energy: -108.547
flat angles C4'-P-C4' energy: -129.252
flat angles P-C4'-P energy: -87.070
tors. eta vs tors. theta energy: -133.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1376.737623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.737623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.737623 (E_RNA)
where:
Base-Base interactions energy: -849.853
where: short stacking energy: -405.535
Base-Backbone interact. energy: -1.249
local terms energy: -525.636525
where:
bonds (distance) C4'-P energy: -103.902
bonds (distance) P-C4' energy: -114.728
flat angles C4'-P-C4' energy: -139.108
flat angles P-C4'-P energy: -84.791
tors. eta vs tors. theta energy: -83.107
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1174.389581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.389581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.389581 (E_RNA)
where:
Base-Base interactions energy: -709.421
where: short stacking energy: -356.593
Base-Backbone interact. energy: 1.140
local terms energy: -466.108337
where:
bonds (distance) C4'-P energy: -94.990
bonds (distance) P-C4' energy: -102.286
flat angles C4'-P-C4' energy: -114.234
flat angles P-C4'-P energy: -92.594
tors. eta vs tors. theta energy: -62.004
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: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1044.039560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.039560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.039560 (E_RNA)
where:
Base-Base interactions energy: -612.640
where: short stacking energy: -286.112
Base-Backbone interact. energy: -3.335
local terms energy: -428.063918
where:
bonds (distance) C4'-P energy: -102.519
bonds (distance) P-C4' energy: -120.281
flat angles C4'-P-C4' energy: -108.356
flat angles P-C4'-P energy: -69.185
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2582.525659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.525659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.525659 (E_RNA)
where:
Base-Base interactions energy: -1779.267
where: short stacking energy: -792.061
Base-Backbone interact. energy: -3.371
local terms energy: -799.887697
where:
bonds (distance) C4'-P energy: -132.530
bonds (distance) P-C4' energy: -143.801
flat angles C4'-P-C4' energy: -170.839
flat angles P-C4'-P energy: -116.890
tors. eta vs tors. theta energy: -235.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2472.966727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.966727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.966727 (E_RNA)
where:
Base-Base interactions energy: -1697.206
where: short stacking energy: -727.907
Base-Backbone interact. energy: -2.402
local terms energy: -773.358485
where:
bonds (distance) C4'-P energy: -140.955
bonds (distance) P-C4' energy: -141.417
flat angles C4'-P-C4' energy: -168.902
flat angles P-C4'-P energy: -107.635
tors. eta vs tors. theta energy: -214.450
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: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2411.472666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.472666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.472666 (E_RNA)
where:
Base-Base interactions energy: -1668.975
where: short stacking energy: -716.842
Base-Backbone interact. energy: -4.296
local terms energy: -738.202288
where:
bonds (distance) C4'-P energy: -123.193
bonds (distance) P-C4' energy: -148.332
flat angles C4'-P-C4' energy: -151.741
flat angles P-C4'-P energy: -111.665
tors. eta vs tors. theta energy: -203.272
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2267.739330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.739330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.739330 (E_RNA)
where:
Base-Base interactions energy: -1613.576
where: short stacking energy: -643.907
Base-Backbone interact. energy: -2.881
local terms energy: -651.281777
where:
bonds (distance) C4'-P energy: -126.951
bonds (distance) P-C4' energy: -119.299
flat angles C4'-P-C4' energy: -150.582
flat angles P-C4'-P energy: -86.685
tors. eta vs tors. theta energy: -167.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2202.417463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.417463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.417463 (E_RNA)
where:
Base-Base interactions energy: -1542.196
where: short stacking energy: -633.261
Base-Backbone interact. energy: 2.822
local terms energy: -663.043424
where:
bonds (distance) C4'-P energy: -131.874
bonds (distance) P-C4' energy: -115.597
flat angles C4'-P-C4' energy: -140.599
flat angles P-C4'-P energy: -88.125
tors. eta vs tors. theta energy: -186.849
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: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2010.937323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.937323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.937323 (E_RNA)
where:
Base-Base interactions energy: -1378.615
where: short stacking energy: -591.428
Base-Backbone interact. energy: 0.762
local terms energy: -633.084532
where:
bonds (distance) C4'-P energy: -108.265
bonds (distance) P-C4' energy: -105.990
flat angles C4'-P-C4' energy: -141.791
flat angles P-C4'-P energy: -103.851
tors. eta vs tors. theta energy: -173.187
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: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1682.506456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.506456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.506456 (E_RNA)
where:
Base-Base interactions energy: -1088.939
where: short stacking energy: -479.804
Base-Backbone interact. energy: -1.072
local terms energy: -592.495977
where:
bonds (distance) C4'-P energy: -127.594
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -123.958
flat angles P-C4'-P energy: -92.748
tors. eta vs tors. theta energy: -124.597
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1376.088448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.088448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.088448 (E_RNA)
where:
Base-Base interactions energy: -860.537
where: short stacking energy: -407.390
Base-Backbone interact. energy: -3.041
local terms energy: -512.509542
where:
bonds (distance) C4'-P energy: -114.216
bonds (distance) P-C4' energy: -126.261
flat angles C4'-P-C4' energy: -119.455
flat angles P-C4'-P energy: -76.072
tors. eta vs tors. theta energy: -76.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1194.439688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.439688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.439688 (E_RNA)
where:
Base-Base interactions energy: -751.365
where: short stacking energy: -347.947
Base-Backbone interact. energy: 2.167
local terms energy: -445.241550
where:
bonds (distance) C4'-P energy: -104.243
bonds (distance) P-C4' energy: -102.316
flat angles C4'-P-C4' energy: -113.751
flat angles P-C4'-P energy: -62.071
tors. eta vs tors. theta energy: -62.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1024.634374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.634374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.634374 (E_RNA)
where:
Base-Base interactions energy: -572.765
where: short stacking energy: -281.557
Base-Backbone interact. energy: -2.341
local terms energy: -449.528341
where:
bonds (distance) C4'-P energy: -91.559
bonds (distance) P-C4' energy: -123.786
flat angles C4'-P-C4' energy: -112.897
flat angles P-C4'-P energy: -84.850
tors. eta vs tors. theta energy: -36.437
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: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2587.065644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.065644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.065644 (E_RNA)
where:
Base-Base interactions energy: -1774.133
where: short stacking energy: -765.764
Base-Backbone interact. energy: 1.338
local terms energy: -814.270570
where:
bonds (distance) C4'-P energy: -135.383
bonds (distance) P-C4' energy: -155.895
flat angles C4'-P-C4' energy: -175.083
flat angles P-C4'-P energy: -109.898
tors. eta vs tors. theta energy: -238.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2490.823400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.823400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.823400 (E_RNA)
where:
Base-Base interactions energy: -1736.836
where: short stacking energy: -739.130
Base-Backbone interact. energy: -4.937
local terms energy: -749.050501
where:
bonds (distance) C4'-P energy: -125.710
bonds (distance) P-C4' energy: -141.875
flat angles C4'-P-C4' energy: -150.286
flat angles P-C4'-P energy: -109.435
tors. eta vs tors. theta energy: -221.744
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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2382.399740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.399740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.399740 (E_RNA)
where:
Base-Base interactions energy: -1679.345
where: short stacking energy: -711.770
Base-Backbone interact. energy: -2.168
local terms energy: -700.886825
where:
bonds (distance) C4'-P energy: -122.367
bonds (distance) P-C4' energy: -133.153
flat angles C4'-P-C4' energy: -155.495
flat angles P-C4'-P energy: -95.016
tors. eta vs tors. theta energy: -194.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2295.546712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.546712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.546712 (E_RNA)
where:
Base-Base interactions energy: -1602.020
where: short stacking energy: -662.203
Base-Backbone interact. energy: -3.848
local terms energy: -689.678586
where:
bonds (distance) C4'-P energy: -134.950
bonds (distance) P-C4' energy: -130.713
flat angles C4'-P-C4' energy: -146.573
flat angles P-C4'-P energy: -97.836
tors. eta vs tors. theta energy: -179.607
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: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2232.627653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.627653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.627653 (E_RNA)
where:
Base-Base interactions energy: -1511.663
where: short stacking energy: -650.716
Base-Backbone interact. energy: 1.592
local terms energy: -722.555802
where:
bonds (distance) C4'-P energy: -127.522
bonds (distance) P-C4' energy: -144.057
flat angles C4'-P-C4' energy: -165.261
flat angles P-C4'-P energy: -90.753
tors. eta vs tors. theta energy: -194.963
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: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2039.645765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.645765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.645765 (E_RNA)
where:
Base-Base interactions energy: -1393.020
where: short stacking energy: -611.050
Base-Backbone interact. energy: 0.222
local terms energy: -646.847675
where:
bonds (distance) C4'-P energy: -121.775
bonds (distance) P-C4' energy: -126.670
flat angles C4'-P-C4' energy: -142.688
flat angles P-C4'-P energy: -85.277
tors. eta vs tors. theta energy: -170.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1669.727774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.727774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.727774 (E_RNA)
where:
Base-Base interactions energy: -1111.922
where: short stacking energy: -510.296
Base-Backbone interact. energy: -2.315
local terms energy: -555.491428
where:
bonds (distance) C4'-P energy: -114.128
bonds (distance) P-C4' energy: -98.793
flat angles C4'-P-C4' energy: -136.976
flat angles P-C4'-P energy: -75.954
tors. eta vs tors. theta energy: -129.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1363.008576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.008576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.008576 (E_RNA)
where:
Base-Base interactions energy: -853.978
where: short stacking energy: -386.012
Base-Backbone interact. energy: -5.464
local terms energy: -503.567022
where:
bonds (distance) C4'-P energy: -105.130
bonds (distance) P-C4' energy: -122.518
flat angles C4'-P-C4' energy: -125.608
flat angles P-C4'-P energy: -77.056
tors. eta vs tors. theta energy: -73.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1244.569307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.569307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.569307 (E_RNA)
where:
Base-Base interactions energy: -779.003
where: short stacking energy: -349.922
Base-Backbone interact. energy: 0.682
local terms energy: -466.248131
where:
bonds (distance) C4'-P energy: -106.325
bonds (distance) P-C4' energy: -116.645
flat angles C4'-P-C4' energy: -116.179
flat angles P-C4'-P energy: -60.992
tors. eta vs tors. theta energy: -66.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -943.585880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.585880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.585880 (E_RNA)
where:
Base-Base interactions energy: -521.866
where: short stacking energy: -282.952
Base-Backbone interact. energy: -3.054
local terms energy: -418.665702
where:
bonds (distance) C4'-P energy: -110.069
bonds (distance) P-C4' energy: -111.685
flat angles C4'-P-C4' energy: -112.228
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: -44.281
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: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2590.050793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.050793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.050793 (E_RNA)
where:
Base-Base interactions energy: -1779.243
where: short stacking energy: -788.346
Base-Backbone interact. energy: -2.852
local terms energy: -807.954935
where:
bonds (distance) C4'-P energy: -149.159
bonds (distance) P-C4' energy: -134.670
flat angles C4'-P-C4' energy: -171.519
flat angles P-C4'-P energy: -114.155
tors. eta vs tors. theta energy: -238.452
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: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2430.963731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.963731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.963731 (E_RNA)
where:
Base-Base interactions energy: -1674.089
where: short stacking energy: -718.039
Base-Backbone interact. energy: -5.862
local terms energy: -751.012212
where:
bonds (distance) C4'-P energy: -136.815
bonds (distance) P-C4' energy: -130.831
flat angles C4'-P-C4' energy: -161.729
flat angles P-C4'-P energy: -111.910
tors. eta vs tors. theta energy: -209.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2386.714362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.714362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.714362 (E_RNA)
where:
Base-Base interactions energy: -1626.063
where: short stacking energy: -701.790
Base-Backbone interact. energy: -4.428
local terms energy: -756.223677
where:
bonds (distance) C4'-P energy: -141.393
bonds (distance) P-C4' energy: -133.006
flat angles C4'-P-C4' energy: -162.521
flat angles P-C4'-P energy: -101.412
tors. eta vs tors. theta energy: -217.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2281.846270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.846270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.846270 (E_RNA)
where:
Base-Base interactions energy: -1613.793
where: short stacking energy: -649.974
Base-Backbone interact. energy: -1.921
local terms energy: -666.132924
where:
bonds (distance) C4'-P energy: -126.010
bonds (distance) P-C4' energy: -122.637
flat angles C4'-P-C4' energy: -146.296
flat angles P-C4'-P energy: -96.824
tors. eta vs tors. theta energy: -174.367
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: 379
Temperature: 1.100000
Total energy: -2163.605909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.605909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.605909 (E_RNA)
where:
Base-Base interactions energy: -1518.324
where: short stacking energy: -640.303
Base-Backbone interact. energy: -2.538
local terms energy: -642.744698
where:
bonds (distance) C4'-P energy: -119.413
bonds (distance) P-C4' energy: -126.855
flat angles C4'-P-C4' energy: -154.081
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -161.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2075.421682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.421682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.421682 (E_RNA)
where:
Base-Base interactions energy: -1424.755
where: short stacking energy: -605.311
Base-Backbone interact. energy: -2.265
local terms energy: -648.402519
where:
bonds (distance) C4'-P energy: -119.774
bonds (distance) P-C4' energy: -117.389
flat angles C4'-P-C4' energy: -153.632
flat angles P-C4'-P energy: -94.493
tors. eta vs tors. theta energy: -163.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1676.048054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.048054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.048054 (E_RNA)
where:
Base-Base interactions energy: -1135.570
where: short stacking energy: -494.550
Base-Backbone interact. energy: 2.096
local terms energy: -542.574013
where:
bonds (distance) C4'-P energy: -110.784
bonds (distance) P-C4' energy: -120.766
flat angles C4'-P-C4' energy: -121.481
flat angles P-C4'-P energy: -77.788
tors. eta vs tors. theta energy: -111.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1275.056882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.056882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.056882 (E_RNA)
where:
Base-Base interactions energy: -782.789
where: short stacking energy: -369.263
Base-Backbone interact. energy: 0.918
local terms energy: -493.186180
where:
bonds (distance) C4'-P energy: -109.189
bonds (distance) P-C4' energy: -132.308
flat angles C4'-P-C4' energy: -131.053
flat angles P-C4'-P energy: -64.123
tors. eta vs tors. theta energy: -56.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1285.475370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.475370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.475370 (E_RNA)
where:
Base-Base interactions energy: -809.252
where: short stacking energy: -407.302
Base-Backbone interact. energy: -1.346
local terms energy: -474.876500
where:
bonds (distance) C4'-P energy: -109.061
bonds (distance) P-C4' energy: -90.947
flat angles C4'-P-C4' energy: -125.471
flat angles P-C4'-P energy: -72.545
tors. eta vs tors. theta energy: -76.852
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: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -928.075834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.075834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.075834 (E_RNA)
where:
Base-Base interactions energy: -489.428
where: short stacking energy: -262.885
Base-Backbone interact. energy: -2.730
local terms energy: -435.917532
where:
bonds (distance) C4'-P energy: -111.912
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -98.622
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -21.602
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: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2583.915187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.915187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.915187 (E_RNA)
where:
Base-Base interactions energy: -1779.399
where: short stacking energy: -760.949
Base-Backbone interact. energy: -3.950
local terms energy: -800.566460
where:
bonds (distance) C4'-P energy: -145.262
bonds (distance) P-C4' energy: -140.474
flat angles C4'-P-C4' energy: -164.685
flat angles P-C4'-P energy: -121.368
tors. eta vs tors. theta energy: -228.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2446.769371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.769371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.769371 (E_RNA)
where:
Base-Base interactions energy: -1688.355
where: short stacking energy: -717.257
Base-Backbone interact. energy: -3.518
local terms energy: -754.896396
where:
bonds (distance) C4'-P energy: -144.933
bonds (distance) P-C4' energy: -140.754
flat angles C4'-P-C4' energy: -155.038
flat angles P-C4'-P energy: -110.175
tors. eta vs tors. theta energy: -203.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2369.825162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.825162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.825162 (E_RNA)
where:
Base-Base interactions energy: -1642.021
where: short stacking energy: -711.269
Base-Backbone interact. energy: -2.116
local terms energy: -725.687985
where:
bonds (distance) C4'-P energy: -119.907
bonds (distance) P-C4' energy: -129.414
flat angles C4'-P-C4' energy: -155.547
flat angles P-C4'-P energy: -106.688
tors. eta vs tors. theta energy: -214.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2266.364569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.364569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.364569 (E_RNA)
where:
Base-Base interactions energy: -1573.846
where: short stacking energy: -641.063
Base-Backbone interact. energy: -5.739
local terms energy: -686.779204
where:
bonds (distance) C4'-P energy: -129.944
bonds (distance) P-C4' energy: -127.304
flat angles C4'-P-C4' energy: -150.425
flat angles P-C4'-P energy: -103.885
tors. eta vs tors. theta energy: -175.222
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: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2176.050850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.050850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.050850 (E_RNA)
where:
Base-Base interactions energy: -1501.454
where: short stacking energy: -612.398
Base-Backbone interact. energy: -4.760
local terms energy: -669.836550
where:
bonds (distance) C4'-P energy: -126.180
bonds (distance) P-C4' energy: -125.334
flat angles C4'-P-C4' energy: -155.458
flat angles P-C4'-P energy: -89.906
tors. eta vs tors. theta energy: -172.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2035.491414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.491414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.491414 (E_RNA)
where:
Base-Base interactions energy: -1392.615
where: short stacking energy: -598.857
Base-Backbone interact. energy: -1.055
local terms energy: -641.821624
where:
bonds (distance) C4'-P energy: -125.117
bonds (distance) P-C4' energy: -126.458
flat angles C4'-P-C4' energy: -146.145
flat angles P-C4'-P energy: -80.449
tors. eta vs tors. theta energy: -163.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1702.459657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.459657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.459657 (E_RNA)
where:
Base-Base interactions energy: -1129.248
where: short stacking energy: -513.951
Base-Backbone interact. energy: 3.580
local terms energy: -576.791810
where:
bonds (distance) C4'-P energy: -122.241
bonds (distance) P-C4' energy: -104.401
flat angles C4'-P-C4' energy: -140.964
flat angles P-C4'-P energy: -77.109
tors. eta vs tors. theta energy: -132.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1332.347595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.347595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.347595 (E_RNA)
where:
Base-Base interactions energy: -831.503
where: short stacking energy: -407.985
Base-Backbone interact. energy: -2.245
local terms energy: -498.599465
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -114.082
flat angles C4'-P-C4' energy: -118.580
flat angles P-C4'-P energy: -83.037
tors. eta vs tors. theta energy: -77.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1274.432082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.432082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.432082 (E_RNA)
where:
Base-Base interactions energy: -815.572
where: short stacking energy: -371.391
Base-Backbone interact. energy: -1.863
local terms energy: -456.997026
where:
bonds (distance) C4'-P energy: -109.211
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -115.219
flat angles P-C4'-P energy: -69.511
tors. eta vs tors. theta energy: -60.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -954.833960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.833960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.833960 (E_RNA)
where:
Base-Base interactions energy: -540.289
where: short stacking energy: -289.413
Base-Backbone interact. energy: -1.068
local terms energy: -413.476276
where:
bonds (distance) C4'-P energy: -101.986
bonds (distance) P-C4' energy: -118.327
flat angles C4'-P-C4' energy: -90.339
flat angles P-C4'-P energy: -67.883
tors. eta vs tors. theta energy: -34.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2577.838340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.838340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.838340 (E_RNA)
where:
Base-Base interactions energy: -1781.820
where: short stacking energy: -782.655
Base-Backbone interact. energy: -3.569
local terms energy: -792.448950
where:
bonds (distance) C4'-P energy: -140.223
bonds (distance) P-C4' energy: -140.659
flat angles C4'-P-C4' energy: -167.923
flat angles P-C4'-P energy: -106.409
tors. eta vs tors. theta energy: -237.235
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: 381
Temperature: 0.950000
Total energy: -2433.837565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.837565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.837565 (E_RNA)
where:
Base-Base interactions energy: -1673.967
where: short stacking energy: -716.127
Base-Backbone interact. energy: -0.890
local terms energy: -758.981459
where:
bonds (distance) C4'-P energy: -131.210
bonds (distance) P-C4' energy: -148.430
flat angles C4'-P-C4' energy: -156.248
flat angles P-C4'-P energy: -111.755
tors. eta vs tors. theta energy: -211.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2388.468396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.468396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.468396 (E_RNA)
where:
Base-Base interactions energy: -1663.723
where: short stacking energy: -711.682
Base-Backbone interact. energy: -2.656
local terms energy: -722.089438
where:
bonds (distance) C4'-P energy: -127.865
bonds (distance) P-C4' energy: -118.990
flat angles C4'-P-C4' energy: -164.219
flat angles P-C4'-P energy: -92.797
tors. eta vs tors. theta energy: -218.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2285.157052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.157052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.157052 (E_RNA)
where:
Base-Base interactions energy: -1616.154
where: short stacking energy: -628.686
Base-Backbone interact. energy: -2.219
local terms energy: -666.783851
where:
bonds (distance) C4'-P energy: -132.907
bonds (distance) P-C4' energy: -125.079
flat angles C4'-P-C4' energy: -153.368
flat angles P-C4'-P energy: -94.433
tors. eta vs tors. theta energy: -160.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2200.416612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.416612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.416612 (E_RNA)
where:
Base-Base interactions energy: -1521.684
where: short stacking energy: -645.387
Base-Backbone interact. energy: -1.874
local terms energy: -676.858518
where:
bonds (distance) C4'-P energy: -132.288
bonds (distance) P-C4' energy: -129.049
flat angles C4'-P-C4' energy: -141.885
flat angles P-C4'-P energy: -96.692
tors. eta vs tors. theta energy: -176.945
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: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2046.455466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.455466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.455466 (E_RNA)
where:
Base-Base interactions energy: -1404.294
where: short stacking energy: -590.256
Base-Backbone interact. energy: -2.649
local terms energy: -639.512551
where:
bonds (distance) C4'-P energy: -110.560
bonds (distance) P-C4' energy: -127.942
flat angles C4'-P-C4' energy: -143.816
flat angles P-C4'-P energy: -89.488
tors. eta vs tors. theta energy: -167.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1675.741958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.741958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.741958 (E_RNA)
where:
Base-Base interactions energy: -1085.665
where: short stacking energy: -480.108
Base-Backbone interact. energy: 3.433
local terms energy: -593.510133
where:
bonds (distance) C4'-P energy: -118.806
bonds (distance) P-C4' energy: -136.212
flat angles C4'-P-C4' energy: -131.695
flat angles P-C4'-P energy: -82.687
tors. eta vs tors. theta energy: -124.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1335.137639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.137639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.137639 (E_RNA)
where:
Base-Base interactions energy: -841.408
where: short stacking energy: -393.048
Base-Backbone interact. energy: -3.365
local terms energy: -490.365160
where:
bonds (distance) C4'-P energy: -113.887
bonds (distance) P-C4' energy: -113.800
flat angles C4'-P-C4' energy: -130.270
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: -66.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1245.841752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.841752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.841752 (E_RNA)
where:
Base-Base interactions energy: -814.306
where: short stacking energy: -388.272
Base-Backbone interact. energy: 3.016
local terms energy: -434.551827
where:
bonds (distance) C4'-P energy: -80.921
bonds (distance) P-C4' energy: -104.582
flat angles C4'-P-C4' energy: -113.079
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -65.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -995.503359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.503359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.503359 (E_RNA)
where:
Base-Base interactions energy: -585.060
where: short stacking energy: -281.905
Base-Backbone interact. energy: -2.730
local terms energy: -407.713099
where:
bonds (distance) C4'-P energy: -112.829
bonds (distance) P-C4' energy: -110.534
flat angles C4'-P-C4' energy: -95.718
flat angles P-C4'-P energy: -58.024
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2604.344833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.344833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.344833 (E_RNA)
where:
Base-Base interactions energy: -1792.650
where: short stacking energy: -779.030
Base-Backbone interact. energy: -1.505
local terms energy: -810.190423
where:
bonds (distance) C4'-P energy: -140.190
bonds (distance) P-C4' energy: -146.275
flat angles C4'-P-C4' energy: -169.050
flat angles P-C4'-P energy: -117.376
tors. eta vs tors. theta energy: -237.300
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: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2426.758180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.758180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.758180 (E_RNA)
where:
Base-Base interactions energy: -1649.388
where: short stacking energy: -709.722
Base-Backbone interact. energy: -1.396
local terms energy: -775.974391
where:
bonds (distance) C4'-P energy: -142.352
bonds (distance) P-C4' energy: -150.160
flat angles C4'-P-C4' energy: -156.553
flat angles P-C4'-P energy: -109.289
tors. eta vs tors. theta energy: -217.621
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: 382
Temperature: 1.000000
Total energy: -2328.835537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.835537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.835537 (E_RNA)
where:
Base-Base interactions energy: -1626.893
where: short stacking energy: -649.225
Base-Backbone interact. energy: -3.885
local terms energy: -698.057117
where:
bonds (distance) C4'-P energy: -142.577
bonds (distance) P-C4' energy: -131.331
flat angles C4'-P-C4' energy: -150.330
flat angles P-C4'-P energy: -97.304
tors. eta vs tors. theta energy: -176.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2345.100421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.100421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.100421 (E_RNA)
where:
Base-Base interactions energy: -1650.685
where: short stacking energy: -683.936
Base-Backbone interact. energy: -1.040
local terms energy: -693.375557
where:
bonds (distance) C4'-P energy: -127.653
bonds (distance) P-C4' energy: -132.783
flat angles C4'-P-C4' energy: -147.770
flat angles P-C4'-P energy: -87.167
tors. eta vs tors. theta energy: -198.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2168.343252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.343252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.343252 (E_RNA)
where:
Base-Base interactions energy: -1493.320
where: short stacking energy: -619.007
Base-Backbone interact. energy: -1.480
local terms energy: -673.543703
where:
bonds (distance) C4'-P energy: -119.945
bonds (distance) P-C4' energy: -138.694
flat angles C4'-P-C4' energy: -145.204
flat angles P-C4'-P energy: -98.736
tors. eta vs tors. theta energy: -170.964
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: 382
Temperature: 1.150000
Total energy: -2002.736001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.736001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.736001 (E_RNA)
where:
Base-Base interactions energy: -1367.749
where: short stacking energy: -571.074
Base-Backbone interact. energy: -2.979
local terms energy: -632.007415
where:
bonds (distance) C4'-P energy: -112.014
bonds (distance) P-C4' energy: -126.475
flat angles C4'-P-C4' energy: -139.604
flat angles P-C4'-P energy: -88.427
tors. eta vs tors. theta energy: -165.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1661.076893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.076893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.076893 (E_RNA)
where:
Base-Base interactions energy: -1085.173
where: short stacking energy: -498.697
Base-Backbone interact. energy: 0.840
local terms energy: -576.743735
where:
bonds (distance) C4'-P energy: -124.176
bonds (distance) P-C4' energy: -127.072
flat angles C4'-P-C4' energy: -118.269
flat angles P-C4'-P energy: -80.208
tors. eta vs tors. theta energy: -127.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1305.985524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.985524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.985524 (E_RNA)
where:
Base-Base interactions energy: -813.690
where: short stacking energy: -392.531
Base-Backbone interact. energy: -1.188
local terms energy: -491.106742
where:
bonds (distance) C4'-P energy: -97.717
bonds (distance) P-C4' energy: -115.373
flat angles C4'-P-C4' energy: -130.811
flat angles P-C4'-P energy: -76.800
tors. eta vs tors. theta energy: -70.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1178.345729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.345729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.345729 (E_RNA)
where:
Base-Base interactions energy: -735.803
where: short stacking energy: -364.693
Base-Backbone interact. energy: -4.081
local terms energy: -438.462260
where:
bonds (distance) C4'-P energy: -111.509
bonds (distance) P-C4' energy: -89.008
flat angles C4'-P-C4' energy: -100.861
flat angles P-C4'-P energy: -73.961
tors. eta vs tors. theta energy: -63.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -992.304896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.304896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.304896 (E_RNA)
where:
Base-Base interactions energy: -599.700
where: short stacking energy: -286.487
Base-Backbone interact. energy: 6.423
local terms energy: -399.027167
where:
bonds (distance) C4'-P energy: -105.400
bonds (distance) P-C4' energy: -113.576
flat angles C4'-P-C4' energy: -95.390
flat angles P-C4'-P energy: -57.468
tors. eta vs tors. theta energy: -27.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2594.367922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.367922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.367922 (E_RNA)
where:
Base-Base interactions energy: -1807.171
where: short stacking energy: -787.926
Base-Backbone interact. energy: -1.437
local terms energy: -785.760382
where:
bonds (distance) C4'-P energy: -126.176
bonds (distance) P-C4' energy: -141.375
flat angles C4'-P-C4' energy: -169.196
flat angles P-C4'-P energy: -110.295
tors. eta vs tors. theta energy: -238.718
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: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2395.164822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.164822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.164822 (E_RNA)
where:
Base-Base interactions energy: -1674.014
where: short stacking energy: -684.989
Base-Backbone interact. energy: -3.075
local terms energy: -718.075623
where:
bonds (distance) C4'-P energy: -132.217
bonds (distance) P-C4' energy: -139.932
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -98.478
tors. eta vs tors. theta energy: -197.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2373.585485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.585485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.585485 (E_RNA)
where:
Base-Base interactions energy: -1627.270
where: short stacking energy: -701.939
Base-Backbone interact. energy: -2.901
local terms energy: -743.414791
where:
bonds (distance) C4'-P energy: -118.826
bonds (distance) P-C4' energy: -135.879
flat angles C4'-P-C4' energy: -167.479
flat angles P-C4'-P energy: -109.755
tors. eta vs tors. theta energy: -211.475
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2313.354764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.354764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.354764 (E_RNA)
where:
Base-Base interactions energy: -1626.845
where: short stacking energy: -673.940
Base-Backbone interact. energy: -3.307
local terms energy: -683.202681
where:
bonds (distance) C4'-P energy: -110.103
bonds (distance) P-C4' energy: -135.001
flat angles C4'-P-C4' energy: -148.451
flat angles P-C4'-P energy: -93.950
tors. eta vs tors. theta energy: -195.697
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: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2190.476191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.476191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.476191 (E_RNA)
where:
Base-Base interactions energy: -1536.765
where: short stacking energy: -645.144
Base-Backbone interact. energy: 1.046
local terms energy: -654.757448
where:
bonds (distance) C4'-P energy: -115.827
bonds (distance) P-C4' energy: -102.600
flat angles C4'-P-C4' energy: -153.133
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -188.112
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: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2055.259005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.259005 (E_RNA)
where:
Base-Base interactions energy: -1398.365
where: short stacking energy: -589.159
Base-Backbone interact. energy: -1.228
local terms energy: -655.665651
where:
bonds (distance) C4'-P energy: -124.576
bonds (distance) P-C4' energy: -117.573
flat angles C4'-P-C4' energy: -149.149
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -175.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1669.205949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.205949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.205949 (E_RNA)
where:
Base-Base interactions energy: -1163.308
where: short stacking energy: -494.435
Base-Backbone interact. energy: 7.155
local terms energy: -513.053214
where:
bonds (distance) C4'-P energy: -96.882
bonds (distance) P-C4' energy: -117.033
flat angles C4'-P-C4' energy: -115.389
flat angles P-C4'-P energy: -79.538
tors. eta vs tors. theta energy: -104.211
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: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1387.822406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.822406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.822406 (E_RNA)
where:
Base-Base interactions energy: -884.413
where: short stacking energy: -423.294
Base-Backbone interact. energy: 3.464
local terms energy: -506.872955
where:
bonds (distance) C4'-P energy: -112.038
bonds (distance) P-C4' energy: -124.504
flat angles C4'-P-C4' energy: -114.454
flat angles P-C4'-P energy: -57.778
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: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1134.700332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.700332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.700332 (E_RNA)
where:
Base-Base interactions energy: -708.057
where: short stacking energy: -315.565
Base-Backbone interact. energy: 9.259
local terms energy: -435.902256
where:
bonds (distance) C4'-P energy: -101.539
bonds (distance) P-C4' energy: -124.218
flat angles C4'-P-C4' energy: -103.027
flat angles P-C4'-P energy: -70.687
tors. eta vs tors. theta energy: -36.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -984.095348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.095348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.095348 (E_RNA)
where:
Base-Base interactions energy: -578.772
where: short stacking energy: -292.928
Base-Backbone interact. energy: -3.260
local terms energy: -402.064154
where:
bonds (distance) C4'-P energy: -97.333
bonds (distance) P-C4' energy: -114.075
flat angles C4'-P-C4' energy: -108.358
flat angles P-C4'-P energy: -61.828
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2599.008277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.008277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.008277 (E_RNA)
where:
Base-Base interactions energy: -1783.950
where: short stacking energy: -773.014
Base-Backbone interact. energy: -1.582
local terms energy: -813.476121
where:
bonds (distance) C4'-P energy: -141.354
bonds (distance) P-C4' energy: -152.138
flat angles C4'-P-C4' energy: -168.725
flat angles P-C4'-P energy: -115.785
tors. eta vs tors. theta energy: -235.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2403.626498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.626498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.626498 (E_RNA)
where:
Base-Base interactions energy: -1670.400
where: short stacking energy: -659.657
Base-Backbone interact. energy: -4.344
local terms energy: -728.882498
where:
bonds (distance) C4'-P energy: -132.547
bonds (distance) P-C4' energy: -147.615
flat angles C4'-P-C4' energy: -163.557
flat angles P-C4'-P energy: -109.715
tors. eta vs tors. theta energy: -175.449
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: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2396.362563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.362563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.362563 (E_RNA)
where:
Base-Base interactions energy: -1649.398
where: short stacking energy: -712.375
Base-Backbone interact. energy: -4.704
local terms energy: -742.260924
where:
bonds (distance) C4'-P energy: -135.087
bonds (distance) P-C4' energy: -128.342
flat angles C4'-P-C4' energy: -167.297
flat angles P-C4'-P energy: -102.716
tors. eta vs tors. theta energy: -208.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2330.726128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.726128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.726128 (E_RNA)
where:
Base-Base interactions energy: -1610.814
where: short stacking energy: -691.940
Base-Backbone interact. energy: -3.231
local terms energy: -716.680858
where:
bonds (distance) C4'-P energy: -126.564
bonds (distance) P-C4' energy: -144.818
flat angles C4'-P-C4' energy: -144.334
flat angles P-C4'-P energy: -97.217
tors. eta vs tors. theta energy: -203.748
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: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2207.115006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.115006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.115006 (E_RNA)
where:
Base-Base interactions energy: -1544.145
where: short stacking energy: -636.327
Base-Backbone interact. energy: 1.106
local terms energy: -664.076104
where:
bonds (distance) C4'-P energy: -127.352
bonds (distance) P-C4' energy: -117.188
flat angles C4'-P-C4' energy: -145.556
flat angles P-C4'-P energy: -91.114
tors. eta vs tors. theta energy: -182.866
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: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2078.456118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.456118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.456118 (E_RNA)
where:
Base-Base interactions energy: -1434.048
where: short stacking energy: -603.999
Base-Backbone interact. energy: -2.572
local terms energy: -641.836108
where:
bonds (distance) C4'-P energy: -120.441
bonds (distance) P-C4' energy: -119.351
flat angles C4'-P-C4' energy: -141.461
flat angles P-C4'-P energy: -95.361
tors. eta vs tors. theta energy: -165.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1659.026267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.026267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.026267 (E_RNA)
where:
Base-Base interactions energy: -1062.875
where: short stacking energy: -465.628
Base-Backbone interact. energy: 4.814
local terms energy: -600.965067
where:
bonds (distance) C4'-P energy: -130.509
bonds (distance) P-C4' energy: -122.610
flat angles C4'-P-C4' energy: -143.553
flat angles P-C4'-P energy: -79.310
tors. eta vs tors. theta energy: -124.982
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: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1386.314466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.314466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.314466 (E_RNA)
where:
Base-Base interactions energy: -892.000
where: short stacking energy: -408.994
Base-Backbone interact. energy: -6.703
local terms energy: -487.611489
where:
bonds (distance) C4'-P energy: -90.527
bonds (distance) P-C4' energy: -112.379
flat angles C4'-P-C4' energy: -123.203
flat angles P-C4'-P energy: -80.531
tors. eta vs tors. theta energy: -80.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1092.417066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.417066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.417066 (E_RNA)
where:
Base-Base interactions energy: -663.104
where: short stacking energy: -346.526
Base-Backbone interact. energy: 4.045
local terms energy: -433.357408
where:
bonds (distance) C4'-P energy: -109.451
bonds (distance) P-C4' energy: -97.281
flat angles C4'-P-C4' energy: -118.727
flat angles P-C4'-P energy: -61.517
tors. eta vs tors. theta energy: -46.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1100.858382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.858382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.858382 (E_RNA)
where:
Base-Base interactions energy: -644.105
where: short stacking energy: -299.746
Base-Backbone interact. energy: 0.381
local terms energy: -457.134476
where:
bonds (distance) C4'-P energy: -119.012
bonds (distance) P-C4' energy: -118.175
flat angles C4'-P-C4' energy: -132.902
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -50.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2590.479219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.479219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.479219 (E_RNA)
where:
Base-Base interactions energy: -1777.671
where: short stacking energy: -763.879
Base-Backbone interact. energy: -4.598
local terms energy: -808.210601
where:
bonds (distance) C4'-P energy: -151.162
bonds (distance) P-C4' energy: -142.701
flat angles C4'-P-C4' energy: -167.401
flat angles P-C4'-P energy: -111.348
tors. eta vs tors. theta energy: -235.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2436.210234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.210234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.210234 (E_RNA)
where:
Base-Base interactions energy: -1660.558
where: short stacking energy: -728.765
Base-Backbone interact. energy: -3.983
local terms energy: -771.669242
where:
bonds (distance) C4'-P energy: -143.261
bonds (distance) P-C4' energy: -132.741
flat angles C4'-P-C4' energy: -171.714
flat angles P-C4'-P energy: -115.689
tors. eta vs tors. theta energy: -208.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2347.797162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.797162 (E_RNA)
where:
Base-Base interactions energy: -1638.292
where: short stacking energy: -656.991
Base-Backbone interact. energy: -4.595
local terms energy: -704.909989
where:
bonds (distance) C4'-P energy: -132.321
bonds (distance) P-C4' energy: -128.795
flat angles C4'-P-C4' energy: -150.949
flat angles P-C4'-P energy: -110.510
tors. eta vs tors. theta energy: -182.335
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: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2317.606461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.606461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.606461 (E_RNA)
where:
Base-Base interactions energy: -1587.831
where: short stacking energy: -683.828
Base-Backbone interact. energy: -1.907
local terms energy: -727.869060
where:
bonds (distance) C4'-P energy: -135.670
bonds (distance) P-C4' energy: -132.590
flat angles C4'-P-C4' energy: -154.346
flat angles P-C4'-P energy: -103.712
tors. eta vs tors. theta energy: -201.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2174.513471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.513471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.513471 (E_RNA)
where:
Base-Base interactions energy: -1513.969
where: short stacking energy: -659.609
Base-Backbone interact. energy: -1.594
local terms energy: -658.950325
where:
bonds (distance) C4'-P energy: -104.723
bonds (distance) P-C4' energy: -133.098
flat angles C4'-P-C4' energy: -144.827
flat angles P-C4'-P energy: -87.523
tors. eta vs tors. theta energy: -188.779
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: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2058.812397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.812397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.812397 (E_RNA)
where:
Base-Base interactions energy: -1420.236
where: short stacking energy: -613.868
Base-Backbone interact. energy: 1.813
local terms energy: -640.389398
where:
bonds (distance) C4'-P energy: -112.380
bonds (distance) P-C4' energy: -121.312
flat angles C4'-P-C4' energy: -137.539
flat angles P-C4'-P energy: -92.243
tors. eta vs tors. theta energy: -176.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1625.724722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.724722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.724722 (E_RNA)
where:
Base-Base interactions energy: -1081.445
where: short stacking energy: -469.017
Base-Backbone interact. energy: -5.657
local terms energy: -538.622661
where:
bonds (distance) C4'-P energy: -90.800
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -141.462
flat angles P-C4'-P energy: -75.321
tors. eta vs tors. theta energy: -97.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1357.693791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.693791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.693791 (E_RNA)
where:
Base-Base interactions energy: -846.663
where: short stacking energy: -406.199
Base-Backbone interact. energy: 0.345
local terms energy: -511.376294
where:
bonds (distance) C4'-P energy: -120.356
bonds (distance) P-C4' energy: -117.977
flat angles C4'-P-C4' energy: -111.998
flat angles P-C4'-P energy: -83.175
tors. eta vs tors. theta energy: -77.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1141.411884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.411884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.411884 (E_RNA)
where:
Base-Base interactions energy: -683.778
where: short stacking energy: -343.745
Base-Backbone interact. energy: -0.233
local terms energy: -457.400787
where:
bonds (distance) C4'-P energy: -100.462
bonds (distance) P-C4' energy: -128.192
flat angles C4'-P-C4' energy: -105.806
flat angles P-C4'-P energy: -61.194
tors. eta vs tors. theta energy: -61.747
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: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1077.040049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.040049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.040049 (E_RNA)
where:
Base-Base interactions energy: -641.554
where: short stacking energy: -315.707
Base-Backbone interact. energy: -2.194
local terms energy: -433.292426
where:
bonds (distance) C4'-P energy: -107.562
bonds (distance) P-C4' energy: -126.378
flat angles C4'-P-C4' energy: -111.935
flat angles P-C4'-P energy: -50.240
tors. eta vs tors. theta energy: -37.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2603.553237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.553237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.553237 (E_RNA)
where:
Base-Base interactions energy: -1767.466
where: short stacking energy: -765.188
Base-Backbone interact. energy: -0.046
local terms energy: -836.041184
where:
bonds (distance) C4'-P energy: -147.437
bonds (distance) P-C4' energy: -151.344
flat angles C4'-P-C4' energy: -170.038
flat angles P-C4'-P energy: -122.120
tors. eta vs tors. theta energy: -245.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2441.978713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.978713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.978713 (E_RNA)
where:
Base-Base interactions energy: -1714.820
where: short stacking energy: -728.549
Base-Backbone interact. energy: -5.096
local terms energy: -722.062990
where:
bonds (distance) C4'-P energy: -124.975
bonds (distance) P-C4' energy: -125.311
flat angles C4'-P-C4' energy: -147.657
flat angles P-C4'-P energy: -108.950
tors. eta vs tors. theta energy: -215.170
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: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2337.187732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.187732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.187732 (E_RNA)
where:
Base-Base interactions energy: -1623.808
where: short stacking energy: -679.489
Base-Backbone interact. energy: -1.238
local terms energy: -712.142479
where:
bonds (distance) C4'-P energy: -140.987
bonds (distance) P-C4' energy: -135.079
flat angles C4'-P-C4' energy: -153.233
flat angles P-C4'-P energy: -100.877
tors. eta vs tors. theta energy: -181.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2301.095469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.095469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.095469 (E_RNA)
where:
Base-Base interactions energy: -1624.032
where: short stacking energy: -708.823
Base-Backbone interact. energy: -3.582
local terms energy: -673.482272
where:
bonds (distance) C4'-P energy: -129.186
bonds (distance) P-C4' energy: -111.655
flat angles C4'-P-C4' energy: -145.455
flat angles P-C4'-P energy: -92.031
tors. eta vs tors. theta energy: -195.154
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: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2214.570392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.570392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.570392 (E_RNA)
where:
Base-Base interactions energy: -1524.357
where: short stacking energy: -661.244
Base-Backbone interact. energy: -1.638
local terms energy: -688.574844
where:
bonds (distance) C4'-P energy: -121.035
bonds (distance) P-C4' energy: -127.841
flat angles C4'-P-C4' energy: -147.031
flat angles P-C4'-P energy: -88.443
tors. eta vs tors. theta energy: -204.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2105.707563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.707563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.707563 (E_RNA)
where:
Base-Base interactions energy: -1449.950
where: short stacking energy: -602.685
Base-Backbone interact. energy: 1.227
local terms energy: -656.984447
where:
bonds (distance) C4'-P energy: -132.270
bonds (distance) P-C4' energy: -119.388
flat angles C4'-P-C4' energy: -135.131
flat angles P-C4'-P energy: -93.895
tors. eta vs tors. theta energy: -176.300
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: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1632.888173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.888173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.888173 (E_RNA)
where:
Base-Base interactions energy: -1080.527
where: short stacking energy: -485.318
Base-Backbone interact. energy: -3.243
local terms energy: -549.117627
where:
bonds (distance) C4'-P energy: -110.631
bonds (distance) P-C4' energy: -114.227
flat angles C4'-P-C4' energy: -136.651
flat angles P-C4'-P energy: -82.524
tors. eta vs tors. theta energy: -105.084
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: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1442.722648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.722648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.722648 (E_RNA)
where:
Base-Base interactions energy: -898.834
where: short stacking energy: -428.522
Base-Backbone interact. energy: -2.087
local terms energy: -541.801925
where:
bonds (distance) C4'-P energy: -114.411
bonds (distance) P-C4' energy: -126.932
flat angles C4'-P-C4' energy: -133.207
flat angles P-C4'-P energy: -80.750
tors. eta vs tors. theta energy: -86.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1165.877320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.877320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.877320 (E_RNA)
where:
Base-Base interactions energy: -682.214
where: short stacking energy: -348.861
Base-Backbone interact. energy: 3.689
local terms energy: -487.352889
where:
bonds (distance) C4'-P energy: -140.029
bonds (distance) P-C4' energy: -111.080
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -61.445
tors. eta vs tors. theta energy: -62.393
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: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1079.228569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.228569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.228569 (E_RNA)
where:
Base-Base interactions energy: -630.668
where: short stacking energy: -308.382
Base-Backbone interact. energy: 8.465
local terms energy: -457.025247
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -124.264
flat angles C4'-P-C4' energy: -98.780
flat angles P-C4'-P energy: -77.225
tors. eta vs tors. theta energy: -43.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2588.232455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.232455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.232455 (E_RNA)
where:
Base-Base interactions energy: -1774.761
where: short stacking energy: -788.318
Base-Backbone interact. energy: -3.232
local terms energy: -810.239111
where:
bonds (distance) C4'-P energy: -145.846
bonds (distance) P-C4' energy: -146.272
flat angles C4'-P-C4' energy: -166.368
flat angles P-C4'-P energy: -110.880
tors. eta vs tors. theta energy: -240.872
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: 387
Temperature: 0.950000
Total energy: -2440.391948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.391948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.391948 (E_RNA)
where:
Base-Base interactions energy: -1703.521
where: short stacking energy: -728.368
Base-Backbone interact. energy: -3.692
local terms energy: -733.179309
where:
bonds (distance) C4'-P energy: -128.101
bonds (distance) P-C4' energy: -136.724
flat angles C4'-P-C4' energy: -155.713
flat angles P-C4'-P energy: -96.084
tors. eta vs tors. theta energy: -216.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2365.012708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.012708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.012708 (E_RNA)
where:
Base-Base interactions energy: -1674.025
where: short stacking energy: -694.304
Base-Backbone interact. energy: -0.150
local terms energy: -690.838276
where:
bonds (distance) C4'-P energy: -116.707
bonds (distance) P-C4' energy: -137.562
flat angles C4'-P-C4' energy: -165.561
flat angles P-C4'-P energy: -90.716
tors. eta vs tors. theta energy: -180.292
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: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2247.090990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.090990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.090990 (E_RNA)
where:
Base-Base interactions energy: -1551.446
where: short stacking energy: -669.975
Base-Backbone interact. energy: 0.021
local terms energy: -695.666030
where:
bonds (distance) C4'-P energy: -127.358
bonds (distance) P-C4' energy: -112.072
flat angles C4'-P-C4' energy: -153.964
flat angles P-C4'-P energy: -108.867
tors. eta vs tors. theta energy: -193.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2248.893048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.893048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.893048 (E_RNA)
where:
Base-Base interactions energy: -1552.776
where: short stacking energy: -657.431
Base-Backbone interact. energy: -2.245
local terms energy: -693.872585
where:
bonds (distance) C4'-P energy: -143.722
bonds (distance) P-C4' energy: -128.806
flat angles C4'-P-C4' energy: -145.038
flat angles P-C4'-P energy: -86.934
tors. eta vs tors. theta energy: -189.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2058.548668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.548668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.548668 (E_RNA)
where:
Base-Base interactions energy: -1383.888
where: short stacking energy: -586.827
Base-Backbone interact. energy: -0.643
local terms energy: -674.017564
where:
bonds (distance) C4'-P energy: -134.705
bonds (distance) P-C4' energy: -136.241
flat angles C4'-P-C4' energy: -132.852
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -182.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1630.163928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.163928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.163928 (E_RNA)
where:
Base-Base interactions energy: -1082.300
where: short stacking energy: -495.936
Base-Backbone interact. energy: -3.280
local terms energy: -544.583929
where:
bonds (distance) C4'-P energy: -102.132
bonds (distance) P-C4' energy: -126.409
flat angles C4'-P-C4' energy: -132.071
flat angles P-C4'-P energy: -73.710
tors. eta vs tors. theta energy: -110.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1395.835653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.835653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.835653 (E_RNA)
where:
Base-Base interactions energy: -873.832
where: short stacking energy: -416.326
Base-Backbone interact. energy: 1.987
local terms energy: -523.990500
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -125.825
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: -92.810
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: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1166.626912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.626912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.626912 (E_RNA)
where:
Base-Base interactions energy: -698.235
where: short stacking energy: -357.396
Base-Backbone interact. energy: 1.755
local terms energy: -470.147159
where:
bonds (distance) C4'-P energy: -117.133
bonds (distance) P-C4' energy: -140.821
flat angles C4'-P-C4' energy: -101.150
flat angles P-C4'-P energy: -65.004
tors. eta vs tors. theta energy: -46.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1019.841186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.841186 (E_RNA)
where:
Base-Base interactions energy: -605.772
where: short stacking energy: -291.688
Base-Backbone interact. energy: -0.228
local terms energy: -413.840391
where:
bonds (distance) C4'-P energy: -96.611
bonds (distance) P-C4' energy: -105.221
flat angles C4'-P-C4' energy: -122.809
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -35.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2585.498649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.498649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.498649 (E_RNA)
where:
Base-Base interactions energy: -1775.885
where: short stacking energy: -783.097
Base-Backbone interact. energy: -2.500
local terms energy: -807.113164
where:
bonds (distance) C4'-P energy: -140.224
bonds (distance) P-C4' energy: -141.839
flat angles C4'-P-C4' energy: -163.569
flat angles P-C4'-P energy: -121.069
tors. eta vs tors. theta energy: -240.413
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: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2440.833418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.833418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.833418 (E_RNA)
where:
Base-Base interactions energy: -1662.714
where: short stacking energy: -737.571
Base-Backbone interact. energy: -0.019
local terms energy: -778.100221
where:
bonds (distance) C4'-P energy: -144.021
bonds (distance) P-C4' energy: -136.696
flat angles C4'-P-C4' energy: -166.249
flat angles P-C4'-P energy: -112.142
tors. eta vs tors. theta energy: -218.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2321.970666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.970666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.970666 (E_RNA)
where:
Base-Base interactions energy: -1599.897
where: short stacking energy: -684.096
Base-Backbone interact. energy: 0.393
local terms energy: -722.466446
where:
bonds (distance) C4'-P energy: -123.431
bonds (distance) P-C4' energy: -138.111
flat angles C4'-P-C4' energy: -161.716
flat angles P-C4'-P energy: -99.209
tors. eta vs tors. theta energy: -199.999
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: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2233.475152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.475152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.475152 (E_RNA)
where:
Base-Base interactions energy: -1575.166
where: short stacking energy: -643.463
Base-Backbone interact. energy: -1.947
local terms energy: -656.362476
where:
bonds (distance) C4'-P energy: -119.558
bonds (distance) P-C4' energy: -133.046
flat angles C4'-P-C4' energy: -143.473
flat angles P-C4'-P energy: -93.591
tors. eta vs tors. theta energy: -166.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2188.256073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.256073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.256073 (E_RNA)
where:
Base-Base interactions energy: -1513.429
where: short stacking energy: -649.296
Base-Backbone interact. energy: -0.401
local terms energy: -674.425981
where:
bonds (distance) C4'-P energy: -122.451
bonds (distance) P-C4' energy: -123.172
flat angles C4'-P-C4' energy: -154.533
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -184.862
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: 388
Temperature: 1.150000
Total energy: -2090.603241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.603241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.603241 (E_RNA)
where:
Base-Base interactions energy: -1455.089
where: short stacking energy: -615.282
Base-Backbone interact. energy: -0.589
local terms energy: -634.924581
where:
bonds (distance) C4'-P energy: -104.712
bonds (distance) P-C4' energy: -128.616
flat angles C4'-P-C4' energy: -134.667
flat angles P-C4'-P energy: -91.638
tors. eta vs tors. theta energy: -175.291
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1679.164415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.164415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.164415 (E_RNA)
where:
Base-Base interactions energy: -1087.375
where: short stacking energy: -497.046
Base-Backbone interact. energy: -3.142
local terms energy: -588.647222
where:
bonds (distance) C4'-P energy: -117.466
bonds (distance) P-C4' energy: -119.747
flat angles C4'-P-C4' energy: -136.335
flat angles P-C4'-P energy: -86.622
tors. eta vs tors. theta energy: -128.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1374.556434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.556434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.556434 (E_RNA)
where:
Base-Base interactions energy: -867.209
where: short stacking energy: -367.588
Base-Backbone interact. energy: -2.579
local terms energy: -504.768284
where:
bonds (distance) C4'-P energy: -111.079
bonds (distance) P-C4' energy: -130.445
flat angles C4'-P-C4' energy: -116.557
flat angles P-C4'-P energy: -73.899
tors. eta vs tors. theta energy: -72.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1143.309242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.309242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.309242 (E_RNA)
where:
Base-Base interactions energy: -726.149
where: short stacking energy: -331.188
Base-Backbone interact. energy: -0.911
local terms energy: -416.249095
where:
bonds (distance) C4'-P energy: -97.675
bonds (distance) P-C4' energy: -101.144
flat angles C4'-P-C4' energy: -124.690
flat angles P-C4'-P energy: -47.506
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1033.619635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.619635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.619635 (E_RNA)
where:
Base-Base interactions energy: -601.158
where: short stacking energy: -299.406
Base-Backbone interact. energy: -0.376
local terms energy: -432.085706
where:
bonds (distance) C4'-P energy: -107.942
bonds (distance) P-C4' energy: -140.180
flat angles C4'-P-C4' energy: -95.147
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2588.397731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.397731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.397731 (E_RNA)
where:
Base-Base interactions energy: -1798.119
where: short stacking energy: -795.094
Base-Backbone interact. energy: -2.324
local terms energy: -787.954564
where:
bonds (distance) C4'-P energy: -139.327
bonds (distance) P-C4' energy: -145.049
flat angles C4'-P-C4' energy: -148.674
flat angles P-C4'-P energy: -112.066
tors. eta vs tors. theta energy: -242.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2462.263019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.263019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.263019 (E_RNA)
where:
Base-Base interactions energy: -1690.987
where: short stacking energy: -726.563
Base-Backbone interact. energy: -5.053
local terms energy: -766.222676
where:
bonds (distance) C4'-P energy: -148.461
bonds (distance) P-C4' energy: -138.916
flat angles C4'-P-C4' energy: -147.835
flat angles P-C4'-P energy: -111.811
tors. eta vs tors. theta energy: -219.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2318.571968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.571968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.571968 (E_RNA)
where:
Base-Base interactions energy: -1601.161
where: short stacking energy: -694.539
Base-Backbone interact. energy: -3.039
local terms energy: -714.371492
where:
bonds (distance) C4'-P energy: -137.432
bonds (distance) P-C4' energy: -132.552
flat angles C4'-P-C4' energy: -141.496
flat angles P-C4'-P energy: -89.315
tors. eta vs tors. theta energy: -213.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2237.865606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.865606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.865606 (E_RNA)
where:
Base-Base interactions energy: -1560.849
where: short stacking energy: -649.460
Base-Backbone interact. energy: -0.874
local terms energy: -676.143289
where:
bonds (distance) C4'-P energy: -108.847
bonds (distance) P-C4' energy: -127.949
flat angles C4'-P-C4' energy: -146.272
flat angles P-C4'-P energy: -109.661
tors. eta vs tors. theta energy: -183.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2212.299115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.299115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.299115 (E_RNA)
where:
Base-Base interactions energy: -1519.798
where: short stacking energy: -651.929
Base-Backbone interact. energy: -2.897
local terms energy: -689.604392
where:
bonds (distance) C4'-P energy: -133.844
bonds (distance) P-C4' energy: -129.229
flat angles C4'-P-C4' energy: -159.590
flat angles P-C4'-P energy: -84.705
tors. eta vs tors. theta energy: -182.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2073.790150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.790150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.790150 (E_RNA)
where:
Base-Base interactions energy: -1457.041
where: short stacking energy: -623.040
Base-Backbone interact. energy: -2.389
local terms energy: -614.360403
where:
bonds (distance) C4'-P energy: -123.209
bonds (distance) P-C4' energy: -122.100
flat angles C4'-P-C4' energy: -133.185
flat angles P-C4'-P energy: -67.835
tors. eta vs tors. theta energy: -168.031
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: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1738.330369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.330369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.330369 (E_RNA)
where:
Base-Base interactions energy: -1160.983
where: short stacking energy: -527.460
Base-Backbone interact. energy: 2.184
local terms energy: -579.531105
where:
bonds (distance) C4'-P energy: -128.342
bonds (distance) P-C4' energy: -112.847
flat angles C4'-P-C4' energy: -127.599
flat angles P-C4'-P energy: -75.786
tors. eta vs tors. theta energy: -134.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1390.979581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.979581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.979581 (E_RNA)
where:
Base-Base interactions energy: -869.700
where: short stacking energy: -421.352
Base-Backbone interact. energy: 0.491
local terms energy: -521.770160
where:
bonds (distance) C4'-P energy: -123.210
bonds (distance) P-C4' energy: -122.719
flat angles C4'-P-C4' energy: -113.738
flat angles P-C4'-P energy: -79.093
tors. eta vs tors. theta energy: -83.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1158.061529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.061529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.061529 (E_RNA)
where:
Base-Base interactions energy: -683.759
where: short stacking energy: -318.327
Base-Backbone interact. energy: -0.790
local terms energy: -473.512213
where:
bonds (distance) C4'-P energy: -97.617
bonds (distance) P-C4' energy: -117.476
flat angles C4'-P-C4' energy: -113.783
flat angles P-C4'-P energy: -83.781
tors. eta vs tors. theta energy: -60.856
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: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -998.143947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.143947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.143947 (E_RNA)
where:
Base-Base interactions energy: -540.196
where: short stacking energy: -280.254
Base-Backbone interact. energy: 0.577
local terms energy: -458.524915
where:
bonds (distance) C4'-P energy: -137.707
bonds (distance) P-C4' energy: -116.251
flat angles C4'-P-C4' energy: -98.275
flat angles P-C4'-P energy: -74.934
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2587.257425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.257425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.257425 (E_RNA)
where:
Base-Base interactions energy: -1767.980
where: short stacking energy: -789.821
Base-Backbone interact. energy: -2.409
local terms energy: -816.868778
where:
bonds (distance) C4'-P energy: -131.274
bonds (distance) P-C4' energy: -144.124
flat angles C4'-P-C4' energy: -180.519
flat angles P-C4'-P energy: -108.671
tors. eta vs tors. theta energy: -252.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2425.006740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.006740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.006740 (E_RNA)
where:
Base-Base interactions energy: -1670.152
where: short stacking energy: -694.902
Base-Backbone interact. energy: -4.426
local terms energy: -750.428762
where:
bonds (distance) C4'-P energy: -136.555
bonds (distance) P-C4' energy: -139.382
flat angles C4'-P-C4' energy: -157.222
flat angles P-C4'-P energy: -110.189
tors. eta vs tors. theta energy: -207.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2338.528490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.528490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.528490 (E_RNA)
where:
Base-Base interactions energy: -1590.505
where: short stacking energy: -703.382
Base-Backbone interact. energy: -2.073
local terms energy: -745.950439
where:
bonds (distance) C4'-P energy: -122.178
bonds (distance) P-C4' energy: -139.483
flat angles C4'-P-C4' energy: -159.386
flat angles P-C4'-P energy: -107.046
tors. eta vs tors. theta energy: -217.857
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: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2236.705099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.705099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.705099 (E_RNA)
where:
Base-Base interactions energy: -1554.533
where: short stacking energy: -646.832
Base-Backbone interact. energy: -3.091
local terms energy: -679.081852
where:
bonds (distance) C4'-P energy: -120.546
bonds (distance) P-C4' energy: -130.563
flat angles C4'-P-C4' energy: -140.841
flat angles P-C4'-P energy: -102.816
tors. eta vs tors. theta energy: -184.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2207.005398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.005398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.005398 (E_RNA)
where:
Base-Base interactions energy: -1517.207
where: short stacking energy: -653.640
Base-Backbone interact. energy: -3.176
local terms energy: -686.622251
where:
bonds (distance) C4'-P energy: -129.237
bonds (distance) P-C4' energy: -113.087
flat angles C4'-P-C4' energy: -148.333
flat angles P-C4'-P energy: -110.843
tors. eta vs tors. theta energy: -185.121
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: 390
Temperature: 1.150000
Total energy: -2118.883929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.883929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.883929 (E_RNA)
where:
Base-Base interactions energy: -1456.079
where: short stacking energy: -621.031
Base-Backbone interact. energy: -3.906
local terms energy: -658.899414
where:
bonds (distance) C4'-P energy: -114.780
bonds (distance) P-C4' energy: -134.443
flat angles C4'-P-C4' energy: -142.276
flat angles P-C4'-P energy: -88.152
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: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1728.547174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.547174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.547174 (E_RNA)
where:
Base-Base interactions energy: -1145.547
where: short stacking energy: -507.211
Base-Backbone interact. energy: -4.227
local terms energy: -578.773105
where:
bonds (distance) C4'-P energy: -113.296
bonds (distance) P-C4' energy: -122.448
flat angles C4'-P-C4' energy: -125.436
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -130.732
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1371.380294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.380294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.380294 (E_RNA)
where:
Base-Base interactions energy: -866.743
where: short stacking energy: -417.301
Base-Backbone interact. energy: 0.171
local terms energy: -504.807751
where:
bonds (distance) C4'-P energy: -98.662
bonds (distance) P-C4' energy: -136.008
flat angles C4'-P-C4' energy: -125.712
flat angles P-C4'-P energy: -68.395
tors. eta vs tors. theta energy: -76.032
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: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1273.881853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.881853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.881853 (E_RNA)
where:
Base-Base interactions energy: -809.908
where: short stacking energy: -377.594
Base-Backbone interact. energy: 1.893
local terms energy: -465.867127
where:
bonds (distance) C4'-P energy: -107.473
bonds (distance) P-C4' energy: -99.948
flat angles C4'-P-C4' energy: -113.320
flat angles P-C4'-P energy: -70.750
tors. eta vs tors. theta energy: -74.376
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: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -986.296443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.296443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.296443 (E_RNA)
where:
Base-Base interactions energy: -541.797
where: short stacking energy: -282.957
Base-Backbone interact. energy: -2.214
local terms energy: -442.286261
where:
bonds (distance) C4'-P energy: -106.872
bonds (distance) P-C4' energy: -134.369
flat angles C4'-P-C4' energy: -108.939
flat angles P-C4'-P energy: -55.100
tors. eta vs tors. theta energy: -37.007
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: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2590.018396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.018396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.018396 (E_RNA)
where:
Base-Base interactions energy: -1789.315
where: short stacking energy: -774.139
Base-Backbone interact. energy: -2.303
local terms energy: -798.400903
where:
bonds (distance) C4'-P energy: -150.777
bonds (distance) P-C4' energy: -135.048
flat angles C4'-P-C4' energy: -172.910
flat angles P-C4'-P energy: -103.175
tors. eta vs tors. theta energy: -236.491
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: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2452.322580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.322580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.322580 (E_RNA)
where:
Base-Base interactions energy: -1689.622
where: short stacking energy: -742.262
Base-Backbone interact. energy: -1.438
local terms energy: -761.262456
where:
bonds (distance) C4'-P energy: -141.050
bonds (distance) P-C4' energy: -134.515
flat angles C4'-P-C4' energy: -162.335
flat angles P-C4'-P energy: -108.887
tors. eta vs tors. theta energy: -214.475
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2354.202897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.202897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.202897 (E_RNA)
where:
Base-Base interactions energy: -1619.537
where: short stacking energy: -703.982
Base-Backbone interact. energy: 0.140
local terms energy: -734.805850
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -132.694
flat angles C4'-P-C4' energy: -157.157
flat angles P-C4'-P energy: -105.739
tors. eta vs tors. theta energy: -210.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2253.573954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.573954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.573954 (E_RNA)
where:
Base-Base interactions energy: -1550.761
where: short stacking energy: -664.867
Base-Backbone interact. energy: -2.584
local terms energy: -700.229215
where:
bonds (distance) C4'-P energy: -124.222
bonds (distance) P-C4' energy: -139.467
flat angles C4'-P-C4' energy: -150.188
flat angles P-C4'-P energy: -105.129
tors. eta vs tors. theta energy: -181.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2222.604665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.604665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.604665 (E_RNA)
where:
Base-Base interactions energy: -1533.127
where: short stacking energy: -661.946
Base-Backbone interact. energy: -2.299
local terms energy: -687.178586
where:
bonds (distance) C4'-P energy: -119.667
bonds (distance) P-C4' energy: -108.076
flat angles C4'-P-C4' energy: -167.496
flat angles P-C4'-P energy: -97.389
tors. eta vs tors. theta energy: -194.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2088.182248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.182248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.182248 (E_RNA)
where:
Base-Base interactions energy: -1440.016
where: short stacking energy: -607.244
Base-Backbone interact. energy: 0.309
local terms energy: -648.475425
where:
bonds (distance) C4'-P energy: -112.360
bonds (distance) P-C4' energy: -135.681
flat angles C4'-P-C4' energy: -138.785
flat angles P-C4'-P energy: -86.456
tors. eta vs tors. theta energy: -175.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1727.206230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.206230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.206230 (E_RNA)
where:
Base-Base interactions energy: -1140.701
where: short stacking energy: -506.335
Base-Backbone interact. energy: 1.975
local terms energy: -588.480310
where:
bonds (distance) C4'-P energy: -121.412
bonds (distance) P-C4' energy: -125.860
flat angles C4'-P-C4' energy: -112.742
flat angles P-C4'-P energy: -92.091
tors. eta vs tors. theta energy: -136.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1347.450124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.450124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.450124 (E_RNA)
where:
Base-Base interactions energy: -840.403
where: short stacking energy: -415.975
Base-Backbone interact. energy: 1.431
local terms energy: -508.477902
where:
bonds (distance) C4'-P energy: -115.150
bonds (distance) P-C4' energy: -113.750
flat angles C4'-P-C4' energy: -113.416
flat angles P-C4'-P energy: -80.712
tors. eta vs tors. theta energy: -85.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1196.633282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.633282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.633282 (E_RNA)
where:
Base-Base interactions energy: -726.489
where: short stacking energy: -332.150
Base-Backbone interact. energy: -2.478
local terms energy: -467.665772
where:
bonds (distance) C4'-P energy: -105.467
bonds (distance) P-C4' energy: -122.898
flat angles C4'-P-C4' energy: -116.620
flat angles P-C4'-P energy: -84.320
tors. eta vs tors. theta energy: -38.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1008.200245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.200245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.200245 (E_RNA)
where:
Base-Base interactions energy: -577.415
where: short stacking energy: -283.153
Base-Backbone interact. energy: -1.844
local terms energy: -428.941533
where:
bonds (distance) C4'-P energy: -99.387
bonds (distance) P-C4' energy: -106.432
flat angles C4'-P-C4' energy: -101.619
flat angles P-C4'-P energy: -67.750
tors. eta vs tors. theta energy: -53.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2593.062470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.062470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.062470 (E_RNA)
where:
Base-Base interactions energy: -1785.419
where: short stacking energy: -792.112
Base-Backbone interact. energy: 0.908
local terms energy: -808.552203
where:
bonds (distance) C4'-P energy: -131.075
bonds (distance) P-C4' energy: -144.723
flat angles C4'-P-C4' energy: -170.219
flat angles P-C4'-P energy: -117.629
tors. eta vs tors. theta energy: -244.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2446.748148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.748148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.748148 (E_RNA)
where:
Base-Base interactions energy: -1664.376
where: short stacking energy: -738.602
Base-Backbone interact. energy: -4.477
local terms energy: -777.895055
where:
bonds (distance) C4'-P energy: -141.021
bonds (distance) P-C4' energy: -149.897
flat angles C4'-P-C4' energy: -156.597
flat angles P-C4'-P energy: -110.978
tors. eta vs tors. theta energy: -219.402
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2369.105140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.105140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.105140 (E_RNA)
where:
Base-Base interactions energy: -1614.658
where: short stacking energy: -704.645
Base-Backbone interact. energy: -2.117
local terms energy: -752.330215
where:
bonds (distance) C4'-P energy: -139.952
bonds (distance) P-C4' energy: -133.604
flat angles C4'-P-C4' energy: -161.805
flat angles P-C4'-P energy: -102.432
tors. eta vs tors. theta energy: -214.538
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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2260.046051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.046051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.046051 (E_RNA)
where:
Base-Base interactions energy: -1604.272
where: short stacking energy: -673.180
Base-Backbone interact. energy: 2.508
local terms energy: -658.282519
where:
bonds (distance) C4'-P energy: -123.859
bonds (distance) P-C4' energy: -124.079
flat angles C4'-P-C4' energy: -128.097
flat angles P-C4'-P energy: -99.684
tors. eta vs tors. theta energy: -182.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2186.278748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.278748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.278748 (E_RNA)
where:
Base-Base interactions energy: -1503.592
where: short stacking energy: -634.654
Base-Backbone interact. energy: 1.412
local terms energy: -684.098860
where:
bonds (distance) C4'-P energy: -137.239
bonds (distance) P-C4' energy: -117.018
flat angles C4'-P-C4' energy: -156.065
flat angles P-C4'-P energy: -90.117
tors. eta vs tors. theta energy: -183.660
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: 392
Temperature: 1.150000
Total energy: -2082.570278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.570278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.570278 (E_RNA)
where:
Base-Base interactions energy: -1477.270
where: short stacking energy: -609.745
Base-Backbone interact. energy: -1.758
local terms energy: -603.541996
where:
bonds (distance) C4'-P energy: -105.155
bonds (distance) P-C4' energy: -115.028
flat angles C4'-P-C4' energy: -139.595
flat angles P-C4'-P energy: -94.443
tors. eta vs tors. theta energy: -149.320
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: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1732.490287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.490287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.490287 (E_RNA)
where:
Base-Base interactions energy: -1160.582
where: short stacking energy: -508.479
Base-Backbone interact. energy: 2.478
local terms energy: -574.386657
where:
bonds (distance) C4'-P energy: -117.474
bonds (distance) P-C4' energy: -131.897
flat angles C4'-P-C4' energy: -105.953
flat angles P-C4'-P energy: -96.611
tors. eta vs tors. theta energy: -122.451
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: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1377.405897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.405897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.405897 (E_RNA)
where:
Base-Base interactions energy: -849.496
where: short stacking energy: -396.817
Base-Backbone interact. energy: 1.002
local terms energy: -528.912150
where:
bonds (distance) C4'-P energy: -98.312
bonds (distance) P-C4' energy: -139.076
flat angles C4'-P-C4' energy: -126.836
flat angles P-C4'-P energy: -76.109
tors. eta vs tors. theta energy: -88.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1150.878075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.878075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.878075 (E_RNA)
where:
Base-Base interactions energy: -708.086
where: short stacking energy: -304.609
Base-Backbone interact. energy: -1.641
local terms energy: -441.150591
where:
bonds (distance) C4'-P energy: -99.243
bonds (distance) P-C4' energy: -107.858
flat angles C4'-P-C4' energy: -113.821
flat angles P-C4'-P energy: -78.650
tors. eta vs tors. theta energy: -41.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -976.242309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.242309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.242309 (E_RNA)
where:
Base-Base interactions energy: -583.188
where: short stacking energy: -304.053
Base-Backbone interact. energy: 4.120
local terms energy: -397.174986
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -109.103
flat angles C4'-P-C4' energy: -100.822
flat angles P-C4'-P energy: -72.848
tors. eta vs tors. theta energy: -16.681
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: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2571.176437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.176437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.176437 (E_RNA)
where:
Base-Base interactions energy: -1787.728
where: short stacking energy: -786.107
Base-Backbone interact. energy: -2.814
local terms energy: -780.634992
where:
bonds (distance) C4'-P energy: -131.449
bonds (distance) P-C4' energy: -145.569
flat angles C4'-P-C4' energy: -165.933
flat angles P-C4'-P energy: -93.284
tors. eta vs tors. theta energy: -244.399
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: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2420.205591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.205591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.205591 (E_RNA)
where:
Base-Base interactions energy: -1642.621
where: short stacking energy: -725.330
Base-Backbone interact. energy: -3.609
local terms energy: -773.976029
where:
bonds (distance) C4'-P energy: -141.961
bonds (distance) P-C4' energy: -139.952
flat angles C4'-P-C4' energy: -166.495
flat angles P-C4'-P energy: -110.121
tors. eta vs tors. theta energy: -215.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2322.291776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.291776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.291776 (E_RNA)
where:
Base-Base interactions energy: -1575.760
where: short stacking energy: -692.244
Base-Backbone interact. energy: -4.485
local terms energy: -742.047203
where:
bonds (distance) C4'-P energy: -144.569
bonds (distance) P-C4' energy: -140.285
flat angles C4'-P-C4' energy: -157.157
flat angles P-C4'-P energy: -97.750
tors. eta vs tors. theta energy: -202.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2300.200108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.200108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.200108 (E_RNA)
where:
Base-Base interactions energy: -1616.285
where: short stacking energy: -667.372
Base-Backbone interact. energy: -1.816
local terms energy: -682.099153
where:
bonds (distance) C4'-P energy: -119.356
bonds (distance) P-C4' energy: -130.972
flat angles C4'-P-C4' energy: -141.038
flat angles P-C4'-P energy: -97.450
tors. eta vs tors. theta energy: -193.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2210.195686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.195686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.195686 (E_RNA)
where:
Base-Base interactions energy: -1551.267
where: short stacking energy: -623.635
Base-Backbone interact. energy: 0.954
local terms energy: -659.882808
where:
bonds (distance) C4'-P energy: -120.971
bonds (distance) P-C4' energy: -131.051
flat angles C4'-P-C4' energy: -135.267
flat angles P-C4'-P energy: -94.269
tors. eta vs tors. theta energy: -178.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1988.952547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.952547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.952547 (E_RNA)
where:
Base-Base interactions energy: -1352.878
where: short stacking energy: -545.110
Base-Backbone interact. energy: -2.594
local terms energy: -633.480087
where:
bonds (distance) C4'-P energy: -127.620
bonds (distance) P-C4' energy: -130.740
flat angles C4'-P-C4' energy: -121.929
flat angles P-C4'-P energy: -97.280
tors. eta vs tors. theta energy: -155.911
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1766.170702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.170702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.170702 (E_RNA)
where:
Base-Base interactions energy: -1215.719
where: short stacking energy: -538.143
Base-Backbone interact. energy: 1.695
local terms energy: -552.147527
where:
bonds (distance) C4'-P energy: -105.716
bonds (distance) P-C4' energy: -119.797
flat angles C4'-P-C4' energy: -125.700
flat angles P-C4'-P energy: -79.369
tors. eta vs tors. theta energy: -121.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1383.084142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.084142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.084142 (E_RNA)
where:
Base-Base interactions energy: -898.667
where: short stacking energy: -379.113
Base-Backbone interact. energy: -0.608
local terms energy: -483.809657
where:
bonds (distance) C4'-P energy: -117.370
bonds (distance) P-C4' energy: -119.140
flat angles C4'-P-C4' energy: -120.527
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -64.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1129.529956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.529956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.529956 (E_RNA)
where:
Base-Base interactions energy: -663.385
where: short stacking energy: -350.256
Base-Backbone interact. energy: 1.169
local terms energy: -467.313246
where:
bonds (distance) C4'-P energy: -101.739
bonds (distance) P-C4' energy: -133.102
flat angles C4'-P-C4' energy: -106.801
flat angles P-C4'-P energy: -57.324
tors. eta vs tors. theta energy: -68.347
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: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -941.799691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.799691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.799691 (E_RNA)
where:
Base-Base interactions energy: -543.867
where: short stacking energy: -265.233
Base-Backbone interact. energy: -1.075
local terms energy: -396.857302
where:
bonds (distance) C4'-P energy: -112.016
bonds (distance) P-C4' energy: -113.977
flat angles C4'-P-C4' energy: -88.656
flat angles P-C4'-P energy: -54.288
tors. eta vs tors. theta energy: -27.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2592.322715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.322715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.322715 (E_RNA)
where:
Base-Base interactions energy: -1774.950
where: short stacking energy: -807.694
Base-Backbone interact. energy: -1.829
local terms energy: -815.543043
where:
bonds (distance) C4'-P energy: -153.271
bonds (distance) P-C4' energy: -142.853
flat angles C4'-P-C4' energy: -171.198
flat angles P-C4'-P energy: -102.962
tors. eta vs tors. theta energy: -245.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2421.563403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.563403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.563403 (E_RNA)
where:
Base-Base interactions energy: -1661.215
where: short stacking energy: -727.236
Base-Backbone interact. energy: -5.008
local terms energy: -755.340641
where:
bonds (distance) C4'-P energy: -130.038
bonds (distance) P-C4' energy: -129.549
flat angles C4'-P-C4' energy: -154.924
flat angles P-C4'-P energy: -130.536
tors. eta vs tors. theta energy: -210.293
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: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2364.847265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.847265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.847265 (E_RNA)
where:
Base-Base interactions energy: -1624.050
where: short stacking energy: -704.264
Base-Backbone interact. energy: -4.277
local terms energy: -736.521026
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -135.636
flat angles C4'-P-C4' energy: -165.381
flat angles P-C4'-P energy: -106.947
tors. eta vs tors. theta energy: -214.604
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: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2324.647202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.647202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.647202 (E_RNA)
where:
Base-Base interactions energy: -1604.411
where: short stacking energy: -677.986
Base-Backbone interact. energy: -2.240
local terms energy: -717.996633
where:
bonds (distance) C4'-P energy: -135.899
bonds (distance) P-C4' energy: -139.195
flat angles C4'-P-C4' energy: -149.618
flat angles P-C4'-P energy: -102.418
tors. eta vs tors. theta energy: -190.866
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: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2229.554227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.554227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.554227 (E_RNA)
where:
Base-Base interactions energy: -1517.753
where: short stacking energy: -674.845
Base-Backbone interact. energy: -0.420
local terms energy: -711.380875
where:
bonds (distance) C4'-P energy: -130.490
bonds (distance) P-C4' energy: -124.559
flat angles C4'-P-C4' energy: -155.102
flat angles P-C4'-P energy: -102.128
tors. eta vs tors. theta energy: -199.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1940.643676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.643676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.643676 (E_RNA)
where:
Base-Base interactions energy: -1324.989
where: short stacking energy: -557.597
Base-Backbone interact. energy: -0.656
local terms energy: -614.998921
where:
bonds (distance) C4'-P energy: -110.189
bonds (distance) P-C4' energy: -117.406
flat angles C4'-P-C4' energy: -138.354
flat angles P-C4'-P energy: -83.941
tors. eta vs tors. theta energy: -165.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1770.134998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.134998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.134998 (E_RNA)
where:
Base-Base interactions energy: -1171.272
where: short stacking energy: -528.914
Base-Backbone interact. energy: -3.381
local terms energy: -595.482274
where:
bonds (distance) C4'-P energy: -121.160
bonds (distance) P-C4' energy: -126.851
flat angles C4'-P-C4' energy: -133.465
flat angles P-C4'-P energy: -81.369
tors. eta vs tors. theta energy: -132.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1411.093406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.093406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.093406 (E_RNA)
where:
Base-Base interactions energy: -893.650
where: short stacking energy: -405.650
Base-Backbone interact. energy: -2.343
local terms energy: -515.100524
where:
bonds (distance) C4'-P energy: -124.600
bonds (distance) P-C4' energy: -146.653
flat angles C4'-P-C4' energy: -93.449
flat angles P-C4'-P energy: -73.367
tors. eta vs tors. theta energy: -77.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1017.287575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.287575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.287575 (E_RNA)
where:
Base-Base interactions energy: -560.695
where: short stacking energy: -307.094
Base-Backbone interact. energy: -0.549
local terms energy: -456.043569
where:
bonds (distance) C4'-P energy: -119.238
bonds (distance) P-C4' energy: -119.974
flat angles C4'-P-C4' energy: -111.504
flat angles P-C4'-P energy: -68.877
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1047.977765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.977765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.977765 (E_RNA)
where:
Base-Base interactions energy: -646.100
where: short stacking energy: -286.857
Base-Backbone interact. energy: 0.362
local terms energy: -402.240590
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -127.623
flat angles C4'-P-C4' energy: -85.762
flat angles P-C4'-P energy: -50.389
tors. eta vs tors. theta energy: -28.117
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: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2591.893724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.893724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.893724 (E_RNA)
where:
Base-Base interactions energy: -1790.288
where: short stacking energy: -770.679
Base-Backbone interact. energy: -2.951
local terms energy: -798.655400
where:
bonds (distance) C4'-P energy: -146.318
bonds (distance) P-C4' energy: -144.742
flat angles C4'-P-C4' energy: -159.767
flat angles P-C4'-P energy: -109.191
tors. eta vs tors. theta energy: -238.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2398.351941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.351941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.351941 (E_RNA)
where:
Base-Base interactions energy: -1648.812
where: short stacking energy: -714.205
Base-Backbone interact. energy: -2.836
local terms energy: -746.704032
where:
bonds (distance) C4'-P energy: -156.948
bonds (distance) P-C4' energy: -125.571
flat angles C4'-P-C4' energy: -159.219
flat angles P-C4'-P energy: -105.083
tors. eta vs tors. theta energy: -199.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2376.255260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.255260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.255260 (E_RNA)
where:
Base-Base interactions energy: -1646.067
where: short stacking energy: -694.659
Base-Backbone interact. energy: -2.266
local terms energy: -727.921722
where:
bonds (distance) C4'-P energy: -135.104
bonds (distance) P-C4' energy: -126.994
flat angles C4'-P-C4' energy: -164.579
flat angles P-C4'-P energy: -107.720
tors. eta vs tors. theta energy: -193.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2229.828659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.828659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.828659 (E_RNA)
where:
Base-Base interactions energy: -1538.980
where: short stacking energy: -677.704
Base-Backbone interact. energy: -0.131
local terms energy: -690.717508
where:
bonds (distance) C4'-P energy: -133.249
bonds (distance) P-C4' energy: -131.420
flat angles C4'-P-C4' energy: -140.839
flat angles P-C4'-P energy: -94.303
tors. eta vs tors. theta energy: -190.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2205.974389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.974389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.974389 (E_RNA)
where:
Base-Base interactions energy: -1526.809
where: short stacking energy: -640.248
Base-Backbone interact. energy: -2.646
local terms energy: -676.518675
where:
bonds (distance) C4'-P energy: -124.858
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -131.332
flat angles P-C4'-P energy: -99.446
tors. eta vs tors. theta energy: -189.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1960.842391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.842391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.842391 (E_RNA)
where:
Base-Base interactions energy: -1353.213
where: short stacking energy: -597.584
Base-Backbone interact. energy: -0.697
local terms energy: -606.932307
where:
bonds (distance) C4'-P energy: -114.824
bonds (distance) P-C4' energy: -100.918
flat angles C4'-P-C4' energy: -139.425
flat angles P-C4'-P energy: -88.624
tors. eta vs tors. theta energy: -163.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1775.912743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.912743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.912743 (E_RNA)
where:
Base-Base interactions energy: -1209.839
where: short stacking energy: -490.367
Base-Backbone interact. energy: 2.874
local terms energy: -568.947918
where:
bonds (distance) C4'-P energy: -114.092
bonds (distance) P-C4' energy: -100.323
flat angles C4'-P-C4' energy: -137.137
flat angles P-C4'-P energy: -80.685
tors. eta vs tors. theta energy: -136.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1424.892522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.892522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.892522 (E_RNA)
where:
Base-Base interactions energy: -912.925
where: short stacking energy: -417.901
Base-Backbone interact. energy: -1.500
local terms energy: -510.467320
where:
bonds (distance) C4'-P energy: -118.971
bonds (distance) P-C4' energy: -122.450
flat angles C4'-P-C4' energy: -120.494
flat angles P-C4'-P energy: -67.231
tors. eta vs tors. theta energy: -81.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1029.397402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.397402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.397402 (E_RNA)
where:
Base-Base interactions energy: -606.857
where: short stacking energy: -330.000
Base-Backbone interact. energy: 0.789
local terms energy: -423.329983
where:
bonds (distance) C4'-P energy: -93.161
bonds (distance) P-C4' energy: -116.818
flat angles C4'-P-C4' energy: -95.405
flat angles P-C4'-P energy: -76.622
tors. eta vs tors. theta energy: -41.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1069.241561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.241561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.241561 (E_RNA)
where:
Base-Base interactions energy: -641.070
where: short stacking energy: -323.917
Base-Backbone interact. energy: -1.775
local terms energy: -426.396201
where:
bonds (distance) C4'-P energy: -101.975
bonds (distance) P-C4' energy: -117.381
flat angles C4'-P-C4' energy: -91.974
flat angles P-C4'-P energy: -67.035
tors. eta vs tors. theta energy: -48.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2593.279816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.279816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.279816 (E_RNA)
where:
Base-Base interactions energy: -1797.255
where: short stacking energy: -759.123
Base-Backbone interact. energy: -5.758
local terms energy: -790.266822
where:
bonds (distance) C4'-P energy: -135.972
bonds (distance) P-C4' energy: -149.225
flat angles C4'-P-C4' energy: -165.031
flat angles P-C4'-P energy: -110.253
tors. eta vs tors. theta energy: -229.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2388.740385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.740385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.740385 (E_RNA)
where:
Base-Base interactions energy: -1634.212
where: short stacking energy: -734.800
Base-Backbone interact. energy: -3.404
local terms energy: -751.124282
where:
bonds (distance) C4'-P energy: -129.525
bonds (distance) P-C4' energy: -139.124
flat angles C4'-P-C4' energy: -160.915
flat angles P-C4'-P energy: -107.760
tors. eta vs tors. theta energy: -213.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2403.297703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.297703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.297703 (E_RNA)
where:
Base-Base interactions energy: -1669.475
where: short stacking energy: -741.029
Base-Backbone interact. energy: -2.248
local terms energy: -731.574927
where:
bonds (distance) C4'-P energy: -133.595
bonds (distance) P-C4' energy: -138.188
flat angles C4'-P-C4' energy: -155.084
flat angles P-C4'-P energy: -95.748
tors. eta vs tors. theta energy: -208.960
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: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2253.371341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.371341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.371341 (E_RNA)
where:
Base-Base interactions energy: -1531.368
where: short stacking energy: -640.579
Base-Backbone interact. energy: -0.854
local terms energy: -721.149575
where:
bonds (distance) C4'-P energy: -137.769
bonds (distance) P-C4' energy: -140.992
flat angles C4'-P-C4' energy: -149.471
flat angles P-C4'-P energy: -109.891
tors. eta vs tors. theta energy: -183.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2195.029711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.029711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.029711 (E_RNA)
where:
Base-Base interactions energy: -1527.504
where: short stacking energy: -634.913
Base-Backbone interact. energy: -1.407
local terms energy: -666.119193
where:
bonds (distance) C4'-P energy: -125.551
bonds (distance) P-C4' energy: -124.720
flat angles C4'-P-C4' energy: -143.583
flat angles P-C4'-P energy: -90.811
tors. eta vs tors. theta energy: -181.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2049.093216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.093216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.093216 (E_RNA)
where:
Base-Base interactions energy: -1426.284
where: short stacking energy: -595.522
Base-Backbone interact. energy: -3.234
local terms energy: -619.575877
where:
bonds (distance) C4'-P energy: -126.220
bonds (distance) P-C4' energy: -117.051
flat angles C4'-P-C4' energy: -132.315
flat angles P-C4'-P energy: -83.048
tors. eta vs tors. theta energy: -160.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1697.646805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.646805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.646805 (E_RNA)
where:
Base-Base interactions energy: -1126.796
where: short stacking energy: -489.680
Base-Backbone interact. energy: -3.346
local terms energy: -567.505024
where:
bonds (distance) C4'-P energy: -123.635
bonds (distance) P-C4' energy: -130.962
flat angles C4'-P-C4' energy: -137.327
flat angles P-C4'-P energy: -66.153
tors. eta vs tors. theta energy: -109.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1442.624898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.624898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.624898 (E_RNA)
where:
Base-Base interactions energy: -884.701
where: short stacking energy: -409.508
Base-Backbone interact. energy: 2.767
local terms energy: -560.690062
where:
bonds (distance) C4'-P energy: -118.697
bonds (distance) P-C4' energy: -134.750
flat angles C4'-P-C4' energy: -128.982
flat angles P-C4'-P energy: -81.943
tors. eta vs tors. theta energy: -96.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1073.357223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.357223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.357223 (E_RNA)
where:
Base-Base interactions energy: -621.018
where: short stacking energy: -289.175
Base-Backbone interact. energy: 1.223
local terms energy: -453.562485
where:
bonds (distance) C4'-P energy: -114.663
bonds (distance) P-C4' energy: -108.517
flat angles C4'-P-C4' energy: -123.295
flat angles P-C4'-P energy: -60.583
tors. eta vs tors. theta energy: -46.504
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: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1027.681057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.681057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.681057 (E_RNA)
where:
Base-Base interactions energy: -615.323
where: short stacking energy: -307.310
Base-Backbone interact. energy: -1.541
local terms energy: -410.816944
where:
bonds (distance) C4'-P energy: -102.751
bonds (distance) P-C4' energy: -108.776
flat angles C4'-P-C4' energy: -98.641
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -33.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2567.152879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.152879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.152879 (E_RNA)
where:
Base-Base interactions energy: -1771.177
where: short stacking energy: -754.320
Base-Backbone interact. energy: -2.591
local terms energy: -793.385004
where:
bonds (distance) C4'-P energy: -144.307
bonds (distance) P-C4' energy: -147.122
flat angles C4'-P-C4' energy: -157.631
flat angles P-C4'-P energy: -105.952
tors. eta vs tors. theta energy: -238.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2400.387246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.387246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.387246 (E_RNA)
where:
Base-Base interactions energy: -1652.394
where: short stacking energy: -754.828
Base-Backbone interact. energy: -3.121
local terms energy: -744.872894
where:
bonds (distance) C4'-P energy: -123.841
bonds (distance) P-C4' energy: -130.321
flat angles C4'-P-C4' energy: -159.636
flat angles P-C4'-P energy: -108.661
tors. eta vs tors. theta energy: -222.414
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: 397
Temperature: 1.000000
Total energy: -2357.288748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.288748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.288748 (E_RNA)
where:
Base-Base interactions energy: -1603.109
where: short stacking energy: -692.597
Base-Backbone interact. energy: -3.466
local terms energy: -750.714089
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -134.103
flat angles C4'-P-C4' energy: -158.026
flat angles P-C4'-P energy: -110.542
tors. eta vs tors. theta energy: -216.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2233.820046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.820046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.820046 (E_RNA)
where:
Base-Base interactions energy: -1554.006
where: short stacking energy: -648.815
Base-Backbone interact. energy: -6.239
local terms energy: -673.575003
where:
bonds (distance) C4'-P energy: -131.534
bonds (distance) P-C4' energy: -123.914
flat angles C4'-P-C4' energy: -148.461
flat angles P-C4'-P energy: -89.295
tors. eta vs tors. theta energy: -180.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2186.848660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.848660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.848660 (E_RNA)
where:
Base-Base interactions energy: -1518.594
where: short stacking energy: -648.178
Base-Backbone interact. energy: -3.732
local terms energy: -664.523116
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -130.563
flat angles C4'-P-C4' energy: -141.073
flat angles P-C4'-P energy: -93.813
tors. eta vs tors. theta energy: -187.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2056.786863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.786863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.786863 (E_RNA)
where:
Base-Base interactions energy: -1442.430
where: short stacking energy: -618.304
Base-Backbone interact. energy: 0.721
local terms energy: -615.077547
where:
bonds (distance) C4'-P energy: -109.258
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -139.669
flat angles P-C4'-P energy: -80.694
tors. eta vs tors. theta energy: -174.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1721.692895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.692895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.692895 (E_RNA)
where:
Base-Base interactions energy: -1164.119
where: short stacking energy: -504.971
Base-Backbone interact. energy: 1.715
local terms energy: -559.289239
where:
bonds (distance) C4'-P energy: -115.317
bonds (distance) P-C4' energy: -127.856
flat angles C4'-P-C4' energy: -136.739
flat angles P-C4'-P energy: -58.117
tors. eta vs tors. theta energy: -121.260
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1391.406390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.406390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.406390 (E_RNA)
where:
Base-Base interactions energy: -886.121
where: short stacking energy: -407.101
Base-Backbone interact. energy: -1.742
local terms energy: -503.543497
where:
bonds (distance) C4'-P energy: -98.033
bonds (distance) P-C4' energy: -107.703
flat angles C4'-P-C4' energy: -130.249
flat angles P-C4'-P energy: -85.139
tors. eta vs tors. theta energy: -82.419
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1101.695285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.695285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.695285 (E_RNA)
where:
Base-Base interactions energy: -679.389
where: short stacking energy: -338.283
Base-Backbone interact. energy: -0.047
local terms energy: -422.259734
where:
bonds (distance) C4'-P energy: -101.977
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -108.236
flat angles P-C4'-P energy: -62.764
tors. eta vs tors. theta energy: -43.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -983.375004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.375004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.375004 (E_RNA)
where:
Base-Base interactions energy: -553.053
where: short stacking energy: -278.245
Base-Backbone interact. energy: 4.728
local terms energy: -435.050245
where:
bonds (distance) C4'-P energy: -114.196
bonds (distance) P-C4' energy: -119.667
flat angles C4'-P-C4' energy: -114.633
flat angles P-C4'-P energy: -52.871
tors. eta vs tors. theta energy: -33.684
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: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2599.774732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.774732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.774732 (E_RNA)
where:
Base-Base interactions energy: -1788.398
where: short stacking energy: -774.259
Base-Backbone interact. energy: -3.776
local terms energy: -807.600315
where:
bonds (distance) C4'-P energy: -143.181
bonds (distance) P-C4' energy: -142.681
flat angles C4'-P-C4' energy: -171.861
flat angles P-C4'-P energy: -108.965
tors. eta vs tors. theta energy: -240.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2371.781129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.781129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.781129 (E_RNA)
where:
Base-Base interactions energy: -1640.341
where: short stacking energy: -735.835
Base-Backbone interact. energy: -2.046
local terms energy: -729.394351
where:
bonds (distance) C4'-P energy: -127.154
bonds (distance) P-C4' energy: -124.023
flat angles C4'-P-C4' energy: -161.848
flat angles P-C4'-P energy: -96.406
tors. eta vs tors. theta energy: -219.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2408.050923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.050923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.050923 (E_RNA)
where:
Base-Base interactions energy: -1661.215
where: short stacking energy: -715.092
Base-Backbone interact. energy: -1.521
local terms energy: -745.315266
where:
bonds (distance) C4'-P energy: -135.820
bonds (distance) P-C4' energy: -131.768
flat angles C4'-P-C4' energy: -157.846
flat angles P-C4'-P energy: -107.233
tors. eta vs tors. theta energy: -212.647
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: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2282.812959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.812959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.812959 (E_RNA)
where:
Base-Base interactions energy: -1593.670
where: short stacking energy: -647.340
Base-Backbone interact. energy: -3.266
local terms energy: -685.876834
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -132.494
flat angles C4'-P-C4' energy: -148.872
flat angles P-C4'-P energy: -106.035
tors. eta vs tors. theta energy: -178.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2201.661840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.661840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.661840 (E_RNA)
where:
Base-Base interactions energy: -1516.722
where: short stacking energy: -659.119
Base-Backbone interact. energy: -1.733
local terms energy: -683.206564
where:
bonds (distance) C4'-P energy: -120.395
bonds (distance) P-C4' energy: -131.650
flat angles C4'-P-C4' energy: -144.013
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -199.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2067.866935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.866935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.866935 (E_RNA)
where:
Base-Base interactions energy: -1419.754
where: short stacking energy: -595.672
Base-Backbone interact. energy: -0.710
local terms energy: -647.403166
where:
bonds (distance) C4'-P energy: -131.576
bonds (distance) P-C4' energy: -122.002
flat angles C4'-P-C4' energy: -140.273
flat angles P-C4'-P energy: -85.651
tors. eta vs tors. theta energy: -167.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1824.359740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.359740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.359740 (E_RNA)
where:
Base-Base interactions energy: -1241.905
where: short stacking energy: -547.547
Base-Backbone interact. energy: 2.952
local terms energy: -585.406685
where:
bonds (distance) C4'-P energy: -100.095
bonds (distance) P-C4' energy: -127.623
flat angles C4'-P-C4' energy: -142.098
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -150.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1346.687581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.687581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.687581 (E_RNA)
where:
Base-Base interactions energy: -847.429
where: short stacking energy: -398.132
Base-Backbone interact. energy: 2.409
local terms energy: -501.667963
where:
bonds (distance) C4'-P energy: -106.101
bonds (distance) P-C4' energy: -118.262
flat angles C4'-P-C4' energy: -126.030
flat angles P-C4'-P energy: -79.356
tors. eta vs tors. theta energy: -71.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1121.672307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.672307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.672307 (E_RNA)
where:
Base-Base interactions energy: -680.379
where: short stacking energy: -335.870
Base-Backbone interact. energy: -1.571
local terms energy: -439.721732
where:
bonds (distance) C4'-P energy: -111.197
bonds (distance) P-C4' energy: -105.155
flat angles C4'-P-C4' energy: -98.421
flat angles P-C4'-P energy: -78.363
tors. eta vs tors. theta energy: -46.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -996.658245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.658245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.658245 (E_RNA)
where:
Base-Base interactions energy: -543.527
where: short stacking energy: -277.766
Base-Backbone interact. energy: 9.227
local terms energy: -462.358005
where:
bonds (distance) C4'-P energy: -104.246
bonds (distance) P-C4' energy: -130.555
flat angles C4'-P-C4' energy: -127.340
flat angles P-C4'-P energy: -74.296
tors. eta vs tors. theta energy: -25.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2616.529262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.529262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.529262 (E_RNA)
where:
Base-Base interactions energy: -1808.595
where: short stacking energy: -789.369
Base-Backbone interact. energy: 0.713
local terms energy: -808.646915
where:
bonds (distance) C4'-P energy: -145.232
bonds (distance) P-C4' energy: -142.703
flat angles C4'-P-C4' energy: -160.768
flat angles P-C4'-P energy: -120.640
tors. eta vs tors. theta energy: -239.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2455.392753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.392753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.392753 (E_RNA)
where:
Base-Base interactions energy: -1684.515
where: short stacking energy: -734.955
Base-Backbone interact. energy: -1.825
local terms energy: -769.052670
where:
bonds (distance) C4'-P energy: -148.992
bonds (distance) P-C4' energy: -144.736
flat angles C4'-P-C4' energy: -163.794
flat angles P-C4'-P energy: -101.471
tors. eta vs tors. theta energy: -210.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2322.684956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.684956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.684956 (E_RNA)
where:
Base-Base interactions energy: -1592.126
where: short stacking energy: -693.772
Base-Backbone interact. energy: -4.212
local terms energy: -726.347040
where:
bonds (distance) C4'-P energy: -142.008
bonds (distance) P-C4' energy: -138.795
flat angles C4'-P-C4' energy: -144.010
flat angles P-C4'-P energy: -100.356
tors. eta vs tors. theta energy: -201.179
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: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2330.070819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.070819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.070819 (E_RNA)
where:
Base-Base interactions energy: -1640.060
where: short stacking energy: -663.942
Base-Backbone interact. energy: 2.063
local terms energy: -692.074047
where:
bonds (distance) C4'-P energy: -113.251
bonds (distance) P-C4' energy: -137.956
flat angles C4'-P-C4' energy: -157.970
flat angles P-C4'-P energy: -97.970
tors. eta vs tors. theta energy: -184.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2252.214922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.214922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.214922 (E_RNA)
where:
Base-Base interactions energy: -1530.525
where: short stacking energy: -641.806
Base-Backbone interact. energy: 4.474
local terms energy: -726.164160
where:
bonds (distance) C4'-P energy: -125.006
bonds (distance) P-C4' energy: -138.874
flat angles C4'-P-C4' energy: -150.219
flat angles P-C4'-P energy: -104.123
tors. eta vs tors. theta energy: -207.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2081.566490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.566490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.566490 (E_RNA)
where:
Base-Base interactions energy: -1440.750
where: short stacking energy: -586.763
Base-Backbone interact. energy: 7.453
local terms energy: -648.269365
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -132.893
flat angles C4'-P-C4' energy: -131.219
flat angles P-C4'-P energy: -73.858
tors. eta vs tors. theta energy: -176.883
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1868.893288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.893288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.893288 (E_RNA)
where:
Base-Base interactions energy: -1276.199
where: short stacking energy: -543.804
Base-Backbone interact. energy: -1.067
local terms energy: -591.626800
where:
bonds (distance) C4'-P energy: -96.145
bonds (distance) P-C4' energy: -119.107
flat angles C4'-P-C4' energy: -137.335
flat angles P-C4'-P energy: -88.403
tors. eta vs tors. theta energy: -150.636
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: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1398.248739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.248739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.248739 (E_RNA)
where:
Base-Base interactions energy: -925.120
where: short stacking energy: -417.881
Base-Backbone interact. energy: -1.468
local terms energy: -471.660873
where:
bonds (distance) C4'-P energy: -96.705
bonds (distance) P-C4' energy: -115.183
flat angles C4'-P-C4' energy: -122.894
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -86.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1121.900845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.900845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.900845 (E_RNA)
where:
Base-Base interactions energy: -655.622
where: short stacking energy: -338.008
Base-Backbone interact. energy: 4.834
local terms energy: -471.113290
where:
bonds (distance) C4'-P energy: -112.248
bonds (distance) P-C4' energy: -128.640
flat angles C4'-P-C4' energy: -115.082
flat angles P-C4'-P energy: -70.848
tors. eta vs tors. theta energy: -44.295
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: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1071.251096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.251096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.251096 (E_RNA)
where:
Base-Base interactions energy: -654.353
where: short stacking energy: -298.420
Base-Backbone interact. energy: 1.234
local terms energy: -418.132209
where:
bonds (distance) C4'-P energy: -104.726
bonds (distance) P-C4' energy: -106.883
flat angles C4'-P-C4' energy: -113.383
flat angles P-C4'-P energy: -54.417
tors. eta vs tors. theta energy: -38.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2599.285931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.285931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.285931 (E_RNA)
where:
Base-Base interactions energy: -1791.284
where: short stacking energy: -776.054
Base-Backbone interact. energy: -1.423
local terms energy: -806.578435
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -142.899
flat angles C4'-P-C4' energy: -162.013
flat angles P-C4'-P energy: -117.491
tors. eta vs tors. theta energy: -243.640
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: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2462.687747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.687747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.687747 (E_RNA)
where:
Base-Base interactions energy: -1674.587
where: short stacking energy: -733.026
Base-Backbone interact. energy: -3.366
local terms energy: -784.735364
where:
bonds (distance) C4'-P energy: -143.067
bonds (distance) P-C4' energy: -147.460
flat angles C4'-P-C4' energy: -162.539
flat angles P-C4'-P energy: -114.741
tors. eta vs tors. theta energy: -216.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2317.441583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.441583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.441583 (E_RNA)
where:
Base-Base interactions energy: -1592.839
where: short stacking energy: -658.016
Base-Backbone interact. energy: 0.704
local terms energy: -725.306906
where:
bonds (distance) C4'-P energy: -134.710
bonds (distance) P-C4' energy: -134.819
flat angles C4'-P-C4' energy: -147.262
flat angles P-C4'-P energy: -110.573
tors. eta vs tors. theta energy: -197.942
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: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2348.507680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.507680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.507680 (E_RNA)
where:
Base-Base interactions energy: -1641.664
where: short stacking energy: -658.380
Base-Backbone interact. energy: -2.354
local terms energy: -704.489422
where:
bonds (distance) C4'-P energy: -139.253
bonds (distance) P-C4' energy: -137.874
flat angles C4'-P-C4' energy: -151.766
flat angles P-C4'-P energy: -91.605
tors. eta vs tors. theta energy: -183.991
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: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2209.700405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.700405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.700405 (E_RNA)
where:
Base-Base interactions energy: -1542.698
where: short stacking energy: -661.430
Base-Backbone interact. energy: -1.404
local terms energy: -665.598786
where:
bonds (distance) C4'-P energy: -115.665
bonds (distance) P-C4' energy: -132.341
flat angles C4'-P-C4' energy: -145.689
flat angles P-C4'-P energy: -82.987
tors. eta vs tors. theta energy: -188.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2051.582625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.582625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.582625 (E_RNA)
where:
Base-Base interactions energy: -1399.568
where: short stacking energy: -603.176
Base-Backbone interact. energy: 1.004
local terms energy: -653.019260
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -114.368
flat angles C4'-P-C4' energy: -147.183
flat angles P-C4'-P energy: -103.067
tors. eta vs tors. theta energy: -163.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1862.293160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.293160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.293160 (E_RNA)
where:
Base-Base interactions energy: -1266.536
where: short stacking energy: -560.710
Base-Backbone interact. energy: -4.851
local terms energy: -590.906814
where:
bonds (distance) C4'-P energy: -101.891
bonds (distance) P-C4' energy: -138.123
flat angles C4'-P-C4' energy: -120.405
flat angles P-C4'-P energy: -87.899
tors. eta vs tors. theta energy: -142.589
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: 400
Temperature: 1.250000
Total energy: -1449.558612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.558612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.558612 (E_RNA)
where:
Base-Base interactions energy: -893.622
where: short stacking energy: -413.102
Base-Backbone interact. energy: -2.723
local terms energy: -553.213824
where:
bonds (distance) C4'-P energy: -137.750
bonds (distance) P-C4' energy: -110.832
flat angles C4'-P-C4' energy: -138.684
flat angles P-C4'-P energy: -74.424
tors. eta vs tors. theta energy: -91.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1067.807802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.807802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.807802 (E_RNA)
where:
Base-Base interactions energy: -637.807
where: short stacking energy: -314.461
Base-Backbone interact. energy: 1.138
local terms energy: -431.138129
where:
bonds (distance) C4'-P energy: -96.028
bonds (distance) P-C4' energy: -117.326
flat angles C4'-P-C4' energy: -108.197
flat angles P-C4'-P energy: -69.778
tors. eta vs tors. theta energy: -39.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1047.925101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.925101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.925101 (E_RNA)
where:
Base-Base interactions energy: -628.649
where: short stacking energy: -328.643
Base-Backbone interact. energy: 3.676
local terms energy: -422.952498
where:
bonds (distance) C4'-P energy: -97.814
bonds (distance) P-C4' energy: -107.540
flat angles C4'-P-C4' energy: -110.252
flat angles P-C4'-P energy: -56.196
tors. eta vs tors. theta energy: -51.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2595.311265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.311265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.311265 (E_RNA)
where:
Base-Base interactions energy: -1795.429
where: short stacking energy: -799.320
Base-Backbone interact. energy: -2.511
local terms energy: -797.371748
where:
bonds (distance) C4'-P energy: -132.699
bonds (distance) P-C4' energy: -135.571
flat angles C4'-P-C4' energy: -168.536
flat angles P-C4'-P energy: -110.969
tors. eta vs tors. theta energy: -249.597
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: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2449.875633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.875633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.875633 (E_RNA)
where:
Base-Base interactions energy: -1701.972
where: short stacking energy: -743.398
Base-Backbone interact. energy: 0.435
local terms energy: -748.339305
where:
bonds (distance) C4'-P energy: -122.214
bonds (distance) P-C4' energy: -151.453
flat angles C4'-P-C4' energy: -164.811
flat angles P-C4'-P energy: -97.825
tors. eta vs tors. theta energy: -212.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2327.232327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.232327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.232327 (E_RNA)
where:
Base-Base interactions energy: -1570.683
where: short stacking energy: -676.114
Base-Backbone interact. energy: -2.072
local terms energy: -754.477021
where:
bonds (distance) C4'-P energy: -143.770
bonds (distance) P-C4' energy: -129.354
flat angles C4'-P-C4' energy: -153.324
flat angles P-C4'-P energy: -117.456
tors. eta vs tors. theta energy: -210.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2277.531110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.531110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.531110 (E_RNA)
where:
Base-Base interactions energy: -1581.094
where: short stacking energy: -693.124
Base-Backbone interact. energy: -2.225
local terms energy: -694.212695
where:
bonds (distance) C4'-P energy: -128.815
bonds (distance) P-C4' energy: -121.382
flat angles C4'-P-C4' energy: -147.396
flat angles P-C4'-P energy: -82.487
tors. eta vs tors. theta energy: -214.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2252.675060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.675060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.675060 (E_RNA)
where:
Base-Base interactions energy: -1594.633
where: short stacking energy: -624.389
Base-Backbone interact. energy: 0.740
local terms energy: -658.782103
where:
bonds (distance) C4'-P energy: -123.044
bonds (distance) P-C4' energy: -120.575
flat angles C4'-P-C4' energy: -135.872
flat angles P-C4'-P energy: -97.513
tors. eta vs tors. theta energy: -181.777
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: 401
Temperature: 1.150000
Total energy: -2023.241310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.241310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.241310 (E_RNA)
where:
Base-Base interactions energy: -1406.277
where: short stacking energy: -591.166
Base-Backbone interact. energy: 0.822
local terms energy: -617.785960
where:
bonds (distance) C4'-P energy: -105.604
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -141.464
flat angles P-C4'-P energy: -85.530
tors. eta vs tors. theta energy: -154.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1809.571780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.571780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.571780 (E_RNA)
where:
Base-Base interactions energy: -1230.218
where: short stacking energy: -555.725
Base-Backbone interact. energy: -1.080
local terms energy: -578.273754
where:
bonds (distance) C4'-P energy: -113.573
bonds (distance) P-C4' energy: -123.020
flat angles C4'-P-C4' energy: -126.488
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -130.611
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: 401
Temperature: 1.250000
Total energy: -1399.172188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.172188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.172188 (E_RNA)
where:
Base-Base interactions energy: -872.693
where: short stacking energy: -406.497
Base-Backbone interact. energy: 0.452
local terms energy: -526.931840
where:
bonds (distance) C4'-P energy: -114.900
bonds (distance) P-C4' energy: -127.692
flat angles C4'-P-C4' energy: -132.397
flat angles P-C4'-P energy: -69.848
tors. eta vs tors. theta energy: -82.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1071.562805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.562805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.562805 (E_RNA)
where:
Base-Base interactions energy: -613.538
where: short stacking energy: -310.458
Base-Backbone interact. energy: 3.482
local terms energy: -461.505947
where:
bonds (distance) C4'-P energy: -117.346
bonds (distance) P-C4' energy: -108.970
flat angles C4'-P-C4' energy: -113.517
flat angles P-C4'-P energy: -84.029
tors. eta vs tors. theta energy: -37.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1018.460416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.460416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.460416 (E_RNA)
where:
Base-Base interactions energy: -606.946
where: short stacking energy: -299.340
Base-Backbone interact. energy: -0.589
local terms energy: -410.925248
where:
bonds (distance) C4'-P energy: -92.473
bonds (distance) P-C4' energy: -114.259
flat angles C4'-P-C4' energy: -108.446
flat angles P-C4'-P energy: -67.413
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2611.337821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.337821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.337821 (E_RNA)
where:
Base-Base interactions energy: -1814.629
where: short stacking energy: -773.149
Base-Backbone interact. energy: -4.071
local terms energy: -792.638421
where:
bonds (distance) C4'-P energy: -139.027
bonds (distance) P-C4' energy: -140.138
flat angles C4'-P-C4' energy: -156.509
flat angles P-C4'-P energy: -116.389
tors. eta vs tors. theta energy: -240.576
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: 402
Temperature: 0.950000
Total energy: -2482.927397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.927397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.927397 (E_RNA)
where:
Base-Base interactions energy: -1742.951
where: short stacking energy: -742.197
Base-Backbone interact. energy: -1.000
local terms energy: -738.975742
where:
bonds (distance) C4'-P energy: -116.468
bonds (distance) P-C4' energy: -139.158
flat angles C4'-P-C4' energy: -159.449
flat angles P-C4'-P energy: -109.266
tors. eta vs tors. theta energy: -214.635
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: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2356.693547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.693547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.693547 (E_RNA)
where:
Base-Base interactions energy: -1607.779
where: short stacking energy: -700.036
Base-Backbone interact. energy: -1.671
local terms energy: -747.244213
where:
bonds (distance) C4'-P energy: -123.565
bonds (distance) P-C4' energy: -145.718
flat angles C4'-P-C4' energy: -156.540
flat angles P-C4'-P energy: -112.684
tors. eta vs tors. theta energy: -208.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2263.218808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.218808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.218808 (E_RNA)
where:
Base-Base interactions energy: -1571.277
where: short stacking energy: -692.971
Base-Backbone interact. energy: -2.595
local terms energy: -689.347260
where:
bonds (distance) C4'-P energy: -119.463
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -160.187
flat angles P-C4'-P energy: -92.043
tors. eta vs tors. theta energy: -196.908
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: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2209.128926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.128926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.128926 (E_RNA)
where:
Base-Base interactions energy: -1531.284
where: short stacking energy: -654.868
Base-Backbone interact. energy: 1.573
local terms energy: -679.418114
where:
bonds (distance) C4'-P energy: -112.341
bonds (distance) P-C4' energy: -135.855
flat angles C4'-P-C4' energy: -146.198
flat angles P-C4'-P energy: -96.297
tors. eta vs tors. theta energy: -188.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2076.410108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.410108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.410108 (E_RNA)
where:
Base-Base interactions energy: -1439.855
where: short stacking energy: -610.186
Base-Backbone interact. energy: 0.128
local terms energy: -636.683238
where:
bonds (distance) C4'-P energy: -107.331
bonds (distance) P-C4' energy: -115.606
flat angles C4'-P-C4' energy: -152.531
flat angles P-C4'-P energy: -88.501
tors. eta vs tors. theta energy: -172.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1707.489530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.489530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.489530 (E_RNA)
where:
Base-Base interactions energy: -1104.943
where: short stacking energy: -469.377
Base-Backbone interact. energy: -0.809
local terms energy: -601.738233
where:
bonds (distance) C4'-P energy: -117.846
bonds (distance) P-C4' energy: -131.773
flat angles C4'-P-C4' energy: -133.159
flat angles P-C4'-P energy: -101.831
tors. eta vs tors. theta energy: -117.129
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: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1438.949048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.949048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.949048 (E_RNA)
where:
Base-Base interactions energy: -936.780
where: short stacking energy: -434.647
Base-Backbone interact. energy: 1.180
local terms energy: -503.348659
where:
bonds (distance) C4'-P energy: -121.144
bonds (distance) P-C4' energy: -114.071
flat angles C4'-P-C4' energy: -121.363
flat angles P-C4'-P energy: -59.307
tors. eta vs tors. theta energy: -87.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1024.113451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.113451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.113451 (E_RNA)
where:
Base-Base interactions energy: -564.866
where: short stacking energy: -311.446
Base-Backbone interact. energy: -1.032
local terms energy: -458.215255
where:
bonds (distance) C4'-P energy: -106.212
bonds (distance) P-C4' energy: -110.381
flat angles C4'-P-C4' energy: -132.803
flat angles P-C4'-P energy: -80.152
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1079.326163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.326163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.326163 (E_RNA)
where:
Base-Base interactions energy: -659.787
where: short stacking energy: -292.783
Base-Backbone interact. energy: 2.646
local terms energy: -422.184974
where:
bonds (distance) C4'-P energy: -108.892
bonds (distance) P-C4' energy: -107.843
flat angles C4'-P-C4' energy: -92.461
flat angles P-C4'-P energy: -74.486
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2602.622971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.622971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.622971 (E_RNA)
where:
Base-Base interactions energy: -1793.516
where: short stacking energy: -774.487
Base-Backbone interact. energy: -3.536
local terms energy: -805.570407
where:
bonds (distance) C4'-P energy: -146.733
bonds (distance) P-C4' energy: -135.453
flat angles C4'-P-C4' energy: -165.191
flat angles P-C4'-P energy: -116.643
tors. eta vs tors. theta energy: -241.550
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: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2467.588823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.588823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.588823 (E_RNA)
where:
Base-Base interactions energy: -1708.027
where: short stacking energy: -749.828
Base-Backbone interact. energy: -2.122
local terms energy: -757.439946
where:
bonds (distance) C4'-P energy: -130.395
bonds (distance) P-C4' energy: -132.699
flat angles C4'-P-C4' energy: -168.410
flat angles P-C4'-P energy: -112.449
tors. eta vs tors. theta energy: -213.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2347.935732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.935732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.935732 (E_RNA)
where:
Base-Base interactions energy: -1613.084
where: short stacking energy: -707.662
Base-Backbone interact. energy: -1.267
local terms energy: -733.584621
where:
bonds (distance) C4'-P energy: -143.788
bonds (distance) P-C4' energy: -131.204
flat angles C4'-P-C4' energy: -151.804
flat angles P-C4'-P energy: -93.038
tors. eta vs tors. theta energy: -213.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2262.246485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.246485 (E_RNA)
where:
Base-Base interactions energy: -1539.610
where: short stacking energy: -682.460
Base-Backbone interact. energy: -0.639
local terms energy: -721.997307
where:
bonds (distance) C4'-P energy: -129.355
bonds (distance) P-C4' energy: -125.225
flat angles C4'-P-C4' energy: -156.003
flat angles P-C4'-P energy: -108.059
tors. eta vs tors. theta energy: -203.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2144.040912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.040912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.040912 (E_RNA)
where:
Base-Base interactions energy: -1499.274
where: short stacking energy: -627.881
Base-Backbone interact. energy: -0.622
local terms energy: -644.145051
where:
bonds (distance) C4'-P energy: -117.726
bonds (distance) P-C4' energy: -125.118
flat angles C4'-P-C4' energy: -143.125
flat angles P-C4'-P energy: -86.190
tors. eta vs tors. theta energy: -171.986
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: 403
Temperature: 1.150000
Total energy: -2028.538810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.538810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.538810 (E_RNA)
where:
Base-Base interactions energy: -1394.332
where: short stacking energy: -600.109
Base-Backbone interact. energy: -1.884
local terms energy: -632.323363
where:
bonds (distance) C4'-P energy: -104.133
bonds (distance) P-C4' energy: -151.041
flat angles C4'-P-C4' energy: -136.540
flat angles P-C4'-P energy: -75.091
tors. eta vs tors. theta energy: -165.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1758.192310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.192310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.192310 (E_RNA)
where:
Base-Base interactions energy: -1158.234
where: short stacking energy: -521.167
Base-Backbone interact. energy: 4.905
local terms energy: -604.862771
where:
bonds (distance) C4'-P energy: -129.534
bonds (distance) P-C4' energy: -127.416
flat angles C4'-P-C4' energy: -120.755
flat angles P-C4'-P energy: -96.057
tors. eta vs tors. theta energy: -131.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1425.302193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.302193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.302193 (E_RNA)
where:
Base-Base interactions energy: -938.206
where: short stacking energy: -426.897
Base-Backbone interact. energy: -3.269
local terms energy: -483.827223
where:
bonds (distance) C4'-P energy: -95.691
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -127.881
flat angles P-C4'-P energy: -62.638
tors. eta vs tors. theta energy: -78.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1040.121655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.121655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.121655 (E_RNA)
where:
Base-Base interactions energy: -553.193
where: short stacking energy: -301.507
Base-Backbone interact. energy: -1.040
local terms energy: -485.888574
where:
bonds (distance) C4'-P energy: -119.469
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -116.561
flat angles P-C4'-P energy: -74.008
tors. eta vs tors. theta energy: -45.106
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: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1042.014256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.014256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.014256 (E_RNA)
where:
Base-Base interactions energy: -614.767
where: short stacking energy: -270.518
Base-Backbone interact. energy: 2.484
local terms energy: -429.731963
where:
bonds (distance) C4'-P energy: -101.985
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -105.478
flat angles P-C4'-P energy: -84.537
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2589.764178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.764178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.764178 (E_RNA)
where:
Base-Base interactions energy: -1799.606
where: short stacking energy: -796.209
Base-Backbone interact. energy: -0.802
local terms energy: -789.355825
where:
bonds (distance) C4'-P energy: -137.762
bonds (distance) P-C4' energy: -137.062
flat angles C4'-P-C4' energy: -157.941
flat angles P-C4'-P energy: -115.239
tors. eta vs tors. theta energy: -241.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2476.079668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.079668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.079668 (E_RNA)
where:
Base-Base interactions energy: -1730.804
where: short stacking energy: -731.213
Base-Backbone interact. energy: -5.255
local terms energy: -740.020744
where:
bonds (distance) C4'-P energy: -146.873
bonds (distance) P-C4' energy: -122.227
flat angles C4'-P-C4' energy: -161.013
flat angles P-C4'-P energy: -99.505
tors. eta vs tors. theta energy: -210.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2308.861515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.861515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.861515 (E_RNA)
where:
Base-Base interactions energy: -1583.401
where: short stacking energy: -703.420
Base-Backbone interact. energy: -4.043
local terms energy: -721.417203
where:
bonds (distance) C4'-P energy: -129.669
bonds (distance) P-C4' energy: -143.079
flat angles C4'-P-C4' energy: -140.828
flat angles P-C4'-P energy: -105.355
tors. eta vs tors. theta energy: -202.487
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: 404
Temperature: 1.050000
Total energy: -2323.241251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.241251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.241251 (E_RNA)
where:
Base-Base interactions energy: -1611.936
where: short stacking energy: -696.888
Base-Backbone interact. energy: -4.056
local terms energy: -707.249799
where:
bonds (distance) C4'-P energy: -127.316
bonds (distance) P-C4' energy: -136.069
flat angles C4'-P-C4' energy: -139.338
flat angles P-C4'-P energy: -107.480
tors. eta vs tors. theta energy: -197.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2076.585308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.585308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.585308 (E_RNA)
where:
Base-Base interactions energy: -1445.451
where: short stacking energy: -595.086
Base-Backbone interact. energy: 4.087
local terms energy: -635.221137
where:
bonds (distance) C4'-P energy: -126.659
bonds (distance) P-C4' energy: -119.347
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -103.262
tors. eta vs tors. theta energy: -158.752
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: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2027.620613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.620613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.620613 (E_RNA)
where:
Base-Base interactions energy: -1403.722
where: short stacking energy: -592.220
Base-Backbone interact. energy: -2.825
local terms energy: -621.073509
where:
bonds (distance) C4'-P energy: -125.712
bonds (distance) P-C4' energy: -120.343
flat angles C4'-P-C4' energy: -130.133
flat angles P-C4'-P energy: -94.626
tors. eta vs tors. theta energy: -150.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1710.748127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.748127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.748127 (E_RNA)
where:
Base-Base interactions energy: -1133.015
where: short stacking energy: -497.778
Base-Backbone interact. energy: 0.294
local terms energy: -578.027335
where:
bonds (distance) C4'-P energy: -119.594
bonds (distance) P-C4' energy: -141.823
flat angles C4'-P-C4' energy: -119.492
flat angles P-C4'-P energy: -73.047
tors. eta vs tors. theta energy: -124.072
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: 404
Temperature: 1.250000
Total energy: -1482.318372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.318372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.318372 (E_RNA)
where:
Base-Base interactions energy: -963.368
where: short stacking energy: -451.858
Base-Backbone interact. energy: -1.980
local terms energy: -516.969855
where:
bonds (distance) C4'-P energy: -122.770
bonds (distance) P-C4' energy: -107.934
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -84.400
tors. eta vs tors. theta energy: -92.941
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: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1042.519423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.519423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.519423 (E_RNA)
where:
Base-Base interactions energy: -567.253
where: short stacking energy: -278.688
Base-Backbone interact. energy: -1.916
local terms energy: -473.349765
where:
bonds (distance) C4'-P energy: -137.280
bonds (distance) P-C4' energy: -127.748
flat angles C4'-P-C4' energy: -117.589
flat angles P-C4'-P energy: -61.727
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -971.682097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.682097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.682097 (E_RNA)
where:
Base-Base interactions energy: -517.893
where: short stacking energy: -265.947
Base-Backbone interact. energy: 0.125
local terms energy: -453.914063
where:
bonds (distance) C4'-P energy: -118.177
bonds (distance) P-C4' energy: -122.765
flat angles C4'-P-C4' energy: -118.616
flat angles P-C4'-P energy: -70.538
tors. eta vs tors. theta energy: -23.818
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: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2578.630949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.630949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.630949 (E_RNA)
where:
Base-Base interactions energy: -1774.623
where: short stacking energy: -772.905
Base-Backbone interact. energy: -5.273
local terms energy: -798.734324
where:
bonds (distance) C4'-P energy: -134.819
bonds (distance) P-C4' energy: -149.994
flat angles C4'-P-C4' energy: -162.450
flat angles P-C4'-P energy: -117.306
tors. eta vs tors. theta energy: -234.165
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: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2489.153990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.153990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.153990 (E_RNA)
where:
Base-Base interactions energy: -1736.328
where: short stacking energy: -746.714
Base-Backbone interact. energy: -3.559
local terms energy: -749.267008
where:
bonds (distance) C4'-P energy: -138.309
bonds (distance) P-C4' energy: -142.770
flat angles C4'-P-C4' energy: -163.668
flat angles P-C4'-P energy: -90.537
tors. eta vs tors. theta energy: -213.983
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: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2368.699742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.699742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.699742 (E_RNA)
where:
Base-Base interactions energy: -1624.163
where: short stacking energy: -719.402
Base-Backbone interact. energy: -2.693
local terms energy: -741.843980
where:
bonds (distance) C4'-P energy: -130.045
bonds (distance) P-C4' energy: -136.920
flat angles C4'-P-C4' energy: -152.598
flat angles P-C4'-P energy: -104.955
tors. eta vs tors. theta energy: -217.326
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: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2268.220603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.220603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.220603 (E_RNA)
where:
Base-Base interactions energy: -1535.975
where: short stacking energy: -674.887
Base-Backbone interact. energy: -2.610
local terms energy: -729.635730
where:
bonds (distance) C4'-P energy: -129.554
bonds (distance) P-C4' energy: -144.114
flat angles C4'-P-C4' energy: -153.711
flat angles P-C4'-P energy: -105.869
tors. eta vs tors. theta energy: -196.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2087.600564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.600564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.600564 (E_RNA)
where:
Base-Base interactions energy: -1448.247
where: short stacking energy: -602.032
Base-Backbone interact. energy: 1.790
local terms energy: -641.143528
where:
bonds (distance) C4'-P energy: -110.996
bonds (distance) P-C4' energy: -130.247
flat angles C4'-P-C4' energy: -136.800
flat angles P-C4'-P energy: -99.444
tors. eta vs tors. theta energy: -163.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1982.280874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.280874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.280874 (E_RNA)
where:
Base-Base interactions energy: -1326.807
where: short stacking energy: -547.394
Base-Backbone interact. energy: 1.229
local terms energy: -656.702801
where:
bonds (distance) C4'-P energy: -120.842
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -158.468
flat angles P-C4'-P energy: -95.216
tors. eta vs tors. theta energy: -150.542
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: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1683.427300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.427300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.427300 (E_RNA)
where:
Base-Base interactions energy: -1149.273
where: short stacking energy: -509.163
Base-Backbone interact. energy: 0.253
local terms energy: -534.406644
where:
bonds (distance) C4'-P energy: -106.775
bonds (distance) P-C4' energy: -103.721
flat angles C4'-P-C4' energy: -131.079
flat angles P-C4'-P energy: -75.292
tors. eta vs tors. theta energy: -117.540
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: 405
Temperature: 1.250000
Total energy: -1461.845766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.845766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.845766 (E_RNA)
where:
Base-Base interactions energy: -956.339
where: short stacking energy: -423.928
Base-Backbone interact. energy: -3.221
local terms energy: -502.286008
where:
bonds (distance) C4'-P energy: -104.749
bonds (distance) P-C4' energy: -127.416
flat angles C4'-P-C4' energy: -111.902
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -86.993
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: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1002.576604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.576604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.576604 (E_RNA)
where:
Base-Base interactions energy: -588.057
where: short stacking energy: -277.990
Base-Backbone interact. energy: 1.042
local terms energy: -415.560997
where:
bonds (distance) C4'-P energy: -106.204
bonds (distance) P-C4' energy: -124.329
flat angles C4'-P-C4' energy: -101.912
flat angles P-C4'-P energy: -59.002
tors. eta vs tors. theta energy: -24.114
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: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -984.163438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.163438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.163438 (E_RNA)
where:
Base-Base interactions energy: -553.338
where: short stacking energy: -271.430
Base-Backbone interact. energy: 4.992
local terms energy: -435.817938
where:
bonds (distance) C4'-P energy: -101.879
bonds (distance) P-C4' energy: -123.996
flat angles C4'-P-C4' energy: -97.354
flat angles P-C4'-P energy: -76.823
tors. eta vs tors. theta energy: -35.766
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: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2592.265804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.265804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.265804 (E_RNA)
where:
Base-Base interactions energy: -1826.506
where: short stacking energy: -774.614
Base-Backbone interact. energy: -4.983
local terms energy: -760.776450
where:
bonds (distance) C4'-P energy: -141.024
bonds (distance) P-C4' energy: -129.781
flat angles C4'-P-C4' energy: -143.142
flat angles P-C4'-P energy: -104.574
tors. eta vs tors. theta energy: -242.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2478.371192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.371192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.371192 (E_RNA)
where:
Base-Base interactions energy: -1735.921
where: short stacking energy: -760.424
Base-Backbone interact. energy: -0.365
local terms energy: -742.085240
where:
bonds (distance) C4'-P energy: -143.412
bonds (distance) P-C4' energy: -116.779
flat angles C4'-P-C4' energy: -160.332
flat angles P-C4'-P energy: -110.373
tors. eta vs tors. theta energy: -211.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2371.540871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.540871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.540871 (E_RNA)
where:
Base-Base interactions energy: -1644.109
where: short stacking energy: -712.479
Base-Backbone interact. energy: -1.355
local terms energy: -726.077631
where:
bonds (distance) C4'-P energy: -119.665
bonds (distance) P-C4' energy: -140.854
flat angles C4'-P-C4' energy: -145.602
flat angles P-C4'-P energy: -110.273
tors. eta vs tors. theta energy: -209.683
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: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2286.473264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.473264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.473264 (E_RNA)
where:
Base-Base interactions energy: -1566.388
where: short stacking energy: -652.815
Base-Backbone interact. energy: -2.671
local terms energy: -717.414003
where:
bonds (distance) C4'-P energy: -138.886
bonds (distance) P-C4' energy: -126.806
flat angles C4'-P-C4' energy: -154.239
flat angles P-C4'-P energy: -100.626
tors. eta vs tors. theta energy: -196.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2120.209308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.209308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.209308 (E_RNA)
where:
Base-Base interactions energy: -1480.209
where: short stacking energy: -600.782
Base-Backbone interact. energy: 4.695
local terms energy: -644.695132
where:
bonds (distance) C4'-P energy: -117.548
bonds (distance) P-C4' energy: -139.279
flat angles C4'-P-C4' energy: -149.344
flat angles P-C4'-P energy: -81.749
tors. eta vs tors. theta energy: -156.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1999.551705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.551705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.551705 (E_RNA)
where:
Base-Base interactions energy: -1410.670
where: short stacking energy: -562.554
Base-Backbone interact. energy: -3.776
local terms energy: -585.105953
where:
bonds (distance) C4'-P energy: -106.315
bonds (distance) P-C4' energy: -119.410
flat angles C4'-P-C4' energy: -120.025
flat angles P-C4'-P energy: -86.232
tors. eta vs tors. theta energy: -153.124
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: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1664.412788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.412788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.412788 (E_RNA)
where:
Base-Base interactions energy: -1073.982
where: short stacking energy: -487.835
Base-Backbone interact. energy: -1.814
local terms energy: -588.616074
where:
bonds (distance) C4'-P energy: -128.863
bonds (distance) P-C4' energy: -122.630
flat angles C4'-P-C4' energy: -130.939
flat angles P-C4'-P energy: -81.287
tors. eta vs tors. theta energy: -124.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1527.369782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.369782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.369782 (E_RNA)
where:
Base-Base interactions energy: -984.507
where: short stacking energy: -443.089
Base-Backbone interact. energy: -0.942
local terms energy: -541.920687
where:
bonds (distance) C4'-P energy: -127.703
bonds (distance) P-C4' energy: -117.851
flat angles C4'-P-C4' energy: -121.774
flat angles P-C4'-P energy: -71.032
tors. eta vs tors. theta energy: -103.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1056.606520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.606520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.606520 (E_RNA)
where:
Base-Base interactions energy: -621.908
where: short stacking energy: -277.744
Base-Backbone interact. energy: -1.753
local terms energy: -432.945842
where:
bonds (distance) C4'-P energy: -95.658
bonds (distance) P-C4' energy: -125.309
flat angles C4'-P-C4' energy: -100.605
flat angles P-C4'-P energy: -71.819
tors. eta vs tors. theta energy: -39.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -971.999300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.999300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.999300 (E_RNA)
where:
Base-Base interactions energy: -581.327
where: short stacking energy: -280.542
Base-Backbone interact. energy: 3.881
local terms energy: -394.553253
where:
bonds (distance) C4'-P energy: -103.571
bonds (distance) P-C4' energy: -118.069
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -69.608
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2607.531702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.531702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.531702 (E_RNA)
where:
Base-Base interactions energy: -1818.227
where: short stacking energy: -768.200
Base-Backbone interact. energy: -3.196
local terms energy: -786.108367
where:
bonds (distance) C4'-P energy: -147.952
bonds (distance) P-C4' energy: -127.976
flat angles C4'-P-C4' energy: -164.020
flat angles P-C4'-P energy: -116.747
tors. eta vs tors. theta energy: -229.413
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2468.284425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.284425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.284425 (E_RNA)
where:
Base-Base interactions energy: -1708.141
where: short stacking energy: -709.742
Base-Backbone interact. energy: 0.310
local terms energy: -760.452844
where:
bonds (distance) C4'-P energy: -140.640
bonds (distance) P-C4' energy: -141.462
flat angles C4'-P-C4' energy: -157.322
flat angles P-C4'-P energy: -104.239
tors. eta vs tors. theta energy: -216.790
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: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2390.751508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.751508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.751508 (E_RNA)
where:
Base-Base interactions energy: -1642.766
where: short stacking energy: -708.921
Base-Backbone interact. energy: -0.443
local terms energy: -747.542099
where:
bonds (distance) C4'-P energy: -130.793
bonds (distance) P-C4' energy: -146.804
flat angles C4'-P-C4' energy: -158.174
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -205.814
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: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2259.790204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.790204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.790204 (E_RNA)
where:
Base-Base interactions energy: -1563.452
where: short stacking energy: -673.277
Base-Backbone interact. energy: -1.685
local terms energy: -694.653126
where:
bonds (distance) C4'-P energy: -140.403
bonds (distance) P-C4' energy: -127.081
flat angles C4'-P-C4' energy: -142.885
flat angles P-C4'-P energy: -96.488
tors. eta vs tors. theta energy: -187.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2150.191369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.191369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.191369 (E_RNA)
where:
Base-Base interactions energy: -1492.773
where: short stacking energy: -625.947
Base-Backbone interact. energy: -1.175
local terms energy: -656.243372
where:
bonds (distance) C4'-P energy: -124.934
bonds (distance) P-C4' energy: -132.957
flat angles C4'-P-C4' energy: -143.434
flat angles P-C4'-P energy: -82.931
tors. eta vs tors. theta energy: -171.987
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2064.171773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.171773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.171773 (E_RNA)
where:
Base-Base interactions energy: -1419.585
where: short stacking energy: -588.382
Base-Backbone interact. energy: 0.222
local terms energy: -644.808506
where:
bonds (distance) C4'-P energy: -132.575
bonds (distance) P-C4' energy: -129.221
flat angles C4'-P-C4' energy: -146.356
flat angles P-C4'-P energy: -74.504
tors. eta vs tors. theta energy: -162.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1661.908954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.908954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.908954 (E_RNA)
where:
Base-Base interactions energy: -1078.043
where: short stacking energy: -485.862
Base-Backbone interact. energy: -2.431
local terms energy: -581.435099
where:
bonds (distance) C4'-P energy: -114.852
bonds (distance) P-C4' energy: -119.532
flat angles C4'-P-C4' energy: -139.042
flat angles P-C4'-P energy: -84.607
tors. eta vs tors. theta energy: -123.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1435.829985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.829985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.829985 (E_RNA)
where:
Base-Base interactions energy: -900.257
where: short stacking energy: -407.227
Base-Backbone interact. energy: -3.406
local terms energy: -532.167047
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -121.500
flat angles C4'-P-C4' energy: -138.782
flat angles P-C4'-P energy: -89.905
tors. eta vs tors. theta energy: -69.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -985.691460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.691460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.691460 (E_RNA)
where:
Base-Base interactions energy: -567.483
where: short stacking energy: -253.527
Base-Backbone interact. energy: -3.426
local terms energy: -414.783157
where:
bonds (distance) C4'-P energy: -117.417
bonds (distance) P-C4' energy: -111.871
flat angles C4'-P-C4' energy: -97.943
flat angles P-C4'-P energy: -66.092
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -977.354975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.354975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.354975 (E_RNA)
where:
Base-Base interactions energy: -586.463
where: short stacking energy: -291.037
Base-Backbone interact. energy: -0.379
local terms energy: -390.513347
where:
bonds (distance) C4'-P energy: -115.293
bonds (distance) P-C4' energy: -104.816
flat angles C4'-P-C4' energy: -114.300
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2591.013984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.013984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.013984 (E_RNA)
where:
Base-Base interactions energy: -1790.238
where: short stacking energy: -774.634
Base-Backbone interact. energy: -3.359
local terms energy: -797.416895
where:
bonds (distance) C4'-P energy: -139.928
bonds (distance) P-C4' energy: -145.141
flat angles C4'-P-C4' energy: -157.958
flat angles P-C4'-P energy: -119.153
tors. eta vs tors. theta energy: -235.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2474.197165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.197165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.197165 (E_RNA)
where:
Base-Base interactions energy: -1683.474
where: short stacking energy: -729.438
Base-Backbone interact. energy: -2.403
local terms energy: -788.319982
where:
bonds (distance) C4'-P energy: -132.035
bonds (distance) P-C4' energy: -146.668
flat angles C4'-P-C4' energy: -174.694
flat angles P-C4'-P energy: -112.394
tors. eta vs tors. theta energy: -222.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2387.048561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.048561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.048561 (E_RNA)
where:
Base-Base interactions energy: -1658.841
where: short stacking energy: -697.445
Base-Backbone interact. energy: -1.140
local terms energy: -727.067976
where:
bonds (distance) C4'-P energy: -140.201
bonds (distance) P-C4' energy: -111.652
flat angles C4'-P-C4' energy: -154.454
flat angles P-C4'-P energy: -106.896
tors. eta vs tors. theta energy: -213.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2263.903173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.903173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.903173 (E_RNA)
where:
Base-Base interactions energy: -1529.416
where: short stacking energy: -682.068
Base-Backbone interact. energy: -2.598
local terms energy: -731.889821
where:
bonds (distance) C4'-P energy: -128.551
bonds (distance) P-C4' energy: -143.095
flat angles C4'-P-C4' energy: -153.706
flat angles P-C4'-P energy: -100.831
tors. eta vs tors. theta energy: -205.707
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: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2121.869680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.869680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.869680 (E_RNA)
where:
Base-Base interactions energy: -1470.213
where: short stacking energy: -668.585
Base-Backbone interact. energy: -2.609
local terms energy: -649.047585
where:
bonds (distance) C4'-P energy: -111.634
bonds (distance) P-C4' energy: -122.348
flat angles C4'-P-C4' energy: -140.771
flat angles P-C4'-P energy: -98.683
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: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2032.134621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.134621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.134621 (E_RNA)
where:
Base-Base interactions energy: -1382.246
where: short stacking energy: -567.638
Base-Backbone interact. energy: -0.943
local terms energy: -648.945454
where:
bonds (distance) C4'-P energy: -111.955
bonds (distance) P-C4' energy: -140.895
flat angles C4'-P-C4' energy: -143.720
flat angles P-C4'-P energy: -83.436
tors. eta vs tors. theta energy: -168.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1646.604387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.604387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.604387 (E_RNA)
where:
Base-Base interactions energy: -1073.511
where: short stacking energy: -464.066
Base-Backbone interact. energy: -2.532
local terms energy: -570.561918
where:
bonds (distance) C4'-P energy: -115.064
bonds (distance) P-C4' energy: -121.995
flat angles C4'-P-C4' energy: -137.646
flat angles P-C4'-P energy: -82.976
tors. eta vs tors. theta energy: -112.881
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: 408
Temperature: 1.250000
Total energy: -1390.822215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.822215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.822215 (E_RNA)
where:
Base-Base interactions energy: -862.474
where: short stacking energy: -396.284
Base-Backbone interact. energy: -0.829
local terms energy: -527.519987
where:
bonds (distance) C4'-P energy: -128.187
bonds (distance) P-C4' energy: -115.309
flat angles C4'-P-C4' energy: -131.420
flat angles P-C4'-P energy: -61.405
tors. eta vs tors. theta energy: -91.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1053.366032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.366032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.366032 (E_RNA)
where:
Base-Base interactions energy: -594.928
where: short stacking energy: -284.345
Base-Backbone interact. energy: -3.057
local terms energy: -455.380083
where:
bonds (distance) C4'-P energy: -100.611
bonds (distance) P-C4' energy: -131.768
flat angles C4'-P-C4' energy: -108.189
flat angles P-C4'-P energy: -78.270
tors. eta vs tors. theta energy: -36.543
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: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -967.572364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.572364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.572364 (E_RNA)
where:
Base-Base interactions energy: -540.354
where: short stacking energy: -301.599
Base-Backbone interact. energy: 0.817
local terms energy: -428.035644
where:
bonds (distance) C4'-P energy: -106.714
bonds (distance) P-C4' energy: -116.738
flat angles C4'-P-C4' energy: -102.936
flat angles P-C4'-P energy: -70.692
tors. eta vs tors. theta energy: -30.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2599.919408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.919408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.919408 (E_RNA)
where:
Base-Base interactions energy: -1822.072
where: short stacking energy: -795.990
Base-Backbone interact. energy: -2.510
local terms energy: -775.337099
where:
bonds (distance) C4'-P energy: -124.166
bonds (distance) P-C4' energy: -138.905
flat angles C4'-P-C4' energy: -168.240
flat angles P-C4'-P energy: -105.299
tors. eta vs tors. theta energy: -238.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2454.294387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.294387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.294387 (E_RNA)
where:
Base-Base interactions energy: -1701.772
where: short stacking energy: -739.062
Base-Backbone interact. energy: -2.721
local terms energy: -749.801309
where:
bonds (distance) C4'-P energy: -141.648
bonds (distance) P-C4' energy: -132.941
flat angles C4'-P-C4' energy: -164.849
flat angles P-C4'-P energy: -100.798
tors. eta vs tors. theta energy: -209.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2377.396292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.396292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.396292 (E_RNA)
where:
Base-Base interactions energy: -1660.834
where: short stacking energy: -713.646
Base-Backbone interact. energy: -4.323
local terms energy: -712.239551
where:
bonds (distance) C4'-P energy: -126.762
bonds (distance) P-C4' energy: -125.724
flat angles C4'-P-C4' energy: -161.323
flat angles P-C4'-P energy: -85.009
tors. eta vs tors. theta energy: -213.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2268.214601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.214601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.214601 (E_RNA)
where:
Base-Base interactions energy: -1560.484
where: short stacking energy: -681.047
Base-Backbone interact. energy: -2.293
local terms energy: -705.438009
where:
bonds (distance) C4'-P energy: -131.834
bonds (distance) P-C4' energy: -127.760
flat angles C4'-P-C4' energy: -146.259
flat angles P-C4'-P energy: -93.067
tors. eta vs tors. theta energy: -206.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2116.614001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.614001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.614001 (E_RNA)
where:
Base-Base interactions energy: -1464.466
where: short stacking energy: -565.733
Base-Backbone interact. energy: 0.788
local terms energy: -652.935180
where:
bonds (distance) C4'-P energy: -127.716
bonds (distance) P-C4' energy: -133.344
flat angles C4'-P-C4' energy: -156.074
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -144.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2018.127858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.127858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.127858 (E_RNA)
where:
Base-Base interactions energy: -1394.214
where: short stacking energy: -553.332
Base-Backbone interact. energy: 2.017
local terms energy: -625.931152
where:
bonds (distance) C4'-P energy: -123.582
bonds (distance) P-C4' energy: -145.203
flat angles C4'-P-C4' energy: -132.724
flat angles P-C4'-P energy: -72.039
tors. eta vs tors. theta energy: -152.383
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: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1687.341807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.341807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.341807 (E_RNA)
where:
Base-Base interactions energy: -1123.900
where: short stacking energy: -475.908
Base-Backbone interact. energy: -1.881
local terms energy: -561.561448
where:
bonds (distance) C4'-P energy: -126.610
bonds (distance) P-C4' energy: -117.226
flat angles C4'-P-C4' energy: -127.728
flat angles P-C4'-P energy: -84.961
tors. eta vs tors. theta energy: -105.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1403.916122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.916122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.916122 (E_RNA)
where:
Base-Base interactions energy: -885.693
where: short stacking energy: -420.512
Base-Backbone interact. energy: 1.811
local terms energy: -520.034158
where:
bonds (distance) C4'-P energy: -117.919
bonds (distance) P-C4' energy: -112.838
flat angles C4'-P-C4' energy: -126.936
flat angles P-C4'-P energy: -82.767
tors. eta vs tors. theta energy: -79.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1072.735434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.735434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.735434 (E_RNA)
where:
Base-Base interactions energy: -637.434
where: short stacking energy: -327.608
Base-Backbone interact. energy: -1.699
local terms energy: -433.602542
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -132.652
flat angles C4'-P-C4' energy: -118.619
flat angles P-C4'-P energy: -62.572
tors. eta vs tors. theta energy: -22.594
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: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -959.751743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.751743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.751743 (E_RNA)
where:
Base-Base interactions energy: -536.169
where: short stacking energy: -292.856
Base-Backbone interact. energy: 4.307
local terms energy: -427.889599
where:
bonds (distance) C4'-P energy: -115.719
bonds (distance) P-C4' energy: -120.767
flat angles C4'-P-C4' energy: -101.490
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -27.657
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: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2596.216141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.216141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.216141 (E_RNA)
where:
Base-Base interactions energy: -1815.385
where: short stacking energy: -774.493
Base-Backbone interact. energy: -1.585
local terms energy: -779.245950
where:
bonds (distance) C4'-P energy: -150.475
bonds (distance) P-C4' energy: -138.114
flat angles C4'-P-C4' energy: -156.185
flat angles P-C4'-P energy: -104.603
tors. eta vs tors. theta energy: -229.869
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: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2500.740612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.740612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.740612 (E_RNA)
where:
Base-Base interactions energy: -1720.768
where: short stacking energy: -722.158
Base-Backbone interact. energy: -3.081
local terms energy: -776.891224
where:
bonds (distance) C4'-P energy: -143.452
bonds (distance) P-C4' energy: -145.798
flat angles C4'-P-C4' energy: -167.470
flat angles P-C4'-P energy: -97.238
tors. eta vs tors. theta energy: -222.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2388.191081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.191081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.191081 (E_RNA)
where:
Base-Base interactions energy: -1643.252
where: short stacking energy: -721.678
Base-Backbone interact. energy: -3.595
local terms energy: -741.344182
where:
bonds (distance) C4'-P energy: -127.502
bonds (distance) P-C4' energy: -141.048
flat angles C4'-P-C4' energy: -148.067
flat angles P-C4'-P energy: -97.097
tors. eta vs tors. theta energy: -227.630
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: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2280.033622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.033622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.033622 (E_RNA)
where:
Base-Base interactions energy: -1557.181
where: short stacking energy: -692.469
Base-Backbone interact. energy: -2.119
local terms energy: -720.733411
where:
bonds (distance) C4'-P energy: -132.994
bonds (distance) P-C4' energy: -129.137
flat angles C4'-P-C4' energy: -147.559
flat angles P-C4'-P energy: -102.989
tors. eta vs tors. theta energy: -208.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2063.953227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.953227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.953227 (E_RNA)
where:
Base-Base interactions energy: -1404.245
where: short stacking energy: -607.012
Base-Backbone interact. energy: 2.360
local terms energy: -662.068025
where:
bonds (distance) C4'-P energy: -129.685
bonds (distance) P-C4' energy: -131.035
flat angles C4'-P-C4' energy: -138.643
flat angles P-C4'-P energy: -96.254
tors. eta vs tors. theta energy: -166.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2039.255702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.255702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.255702 (E_RNA)
where:
Base-Base interactions energy: -1406.852
where: short stacking energy: -604.929
Base-Backbone interact. energy: -4.099
local terms energy: -628.304746
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -133.204
flat angles C4'-P-C4' energy: -151.794
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: -154.576
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1685.492839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.492839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.492839 (E_RNA)
where:
Base-Base interactions energy: -1122.247
where: short stacking energy: -481.400
Base-Backbone interact. energy: -4.892
local terms energy: -558.353796
where:
bonds (distance) C4'-P energy: -110.782
bonds (distance) P-C4' energy: -119.349
flat angles C4'-P-C4' energy: -139.299
flat angles P-C4'-P energy: -70.146
tors. eta vs tors. theta energy: -118.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1379.662218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.662218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.662218 (E_RNA)
where:
Base-Base interactions energy: -884.239
where: short stacking energy: -399.762
Base-Backbone interact. energy: -2.428
local terms energy: -492.995270
where:
bonds (distance) C4'-P energy: -108.227
bonds (distance) P-C4' energy: -119.367
flat angles C4'-P-C4' energy: -123.852
flat angles P-C4'-P energy: -59.421
tors. eta vs tors. theta energy: -82.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1013.598725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.598725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.598725 (E_RNA)
where:
Base-Base interactions energy: -585.447
where: short stacking energy: -297.419
Base-Backbone interact. energy: 1.031
local terms energy: -429.182992
where:
bonds (distance) C4'-P energy: -105.830
bonds (distance) P-C4' energy: -120.950
flat angles C4'-P-C4' energy: -121.530
flat angles P-C4'-P energy: -47.663
tors. eta vs tors. theta energy: -33.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1004.304617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.304617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.304617 (E_RNA)
where:
Base-Base interactions energy: -592.498
where: short stacking energy: -286.155
Base-Backbone interact. energy: -0.844
local terms energy: -410.962377
where:
bonds (distance) C4'-P energy: -112.650
bonds (distance) P-C4' energy: -84.344
flat angles C4'-P-C4' energy: -122.568
flat angles P-C4'-P energy: -60.308
tors. eta vs tors. theta energy: -31.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2589.998256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.998256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.998256 (E_RNA)
where:
Base-Base interactions energy: -1813.609
where: short stacking energy: -774.146
Base-Backbone interact. energy: -3.820
local terms energy: -772.569007
where:
bonds (distance) C4'-P energy: -138.006
bonds (distance) P-C4' energy: -133.184
flat angles C4'-P-C4' energy: -165.368
flat angles P-C4'-P energy: -105.162
tors. eta vs tors. theta energy: -230.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2482.371431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.371431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.371431 (E_RNA)
where:
Base-Base interactions energy: -1709.069
where: short stacking energy: -746.790
Base-Backbone interact. energy: -0.982
local terms energy: -772.319703
where:
bonds (distance) C4'-P energy: -144.236
bonds (distance) P-C4' energy: -135.294
flat angles C4'-P-C4' energy: -161.453
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -224.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2373.973170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.973170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.973170 (E_RNA)
where:
Base-Base interactions energy: -1660.375
where: short stacking energy: -707.647
Base-Backbone interact. energy: -1.744
local terms energy: -711.854368
where:
bonds (distance) C4'-P energy: -137.061
bonds (distance) P-C4' energy: -129.181
flat angles C4'-P-C4' energy: -146.724
flat angles P-C4'-P energy: -89.103
tors. eta vs tors. theta energy: -209.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2281.853926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.853926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.853926 (E_RNA)
where:
Base-Base interactions energy: -1560.787
where: short stacking energy: -691.642
Base-Backbone interact. energy: -1.882
local terms energy: -719.185331
where:
bonds (distance) C4'-P energy: -122.218
bonds (distance) P-C4' energy: -135.677
flat angles C4'-P-C4' energy: -147.515
flat angles P-C4'-P energy: -112.987
tors. eta vs tors. theta energy: -200.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2100.258353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.258353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.258353 (E_RNA)
where:
Base-Base interactions energy: -1439.951
where: short stacking energy: -616.345
Base-Backbone interact. energy: 1.003
local terms energy: -661.310323
where:
bonds (distance) C4'-P energy: -124.042
bonds (distance) P-C4' energy: -128.601
flat angles C4'-P-C4' energy: -143.838
flat angles P-C4'-P energy: -99.250
tors. eta vs tors. theta energy: -165.579
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: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2053.192404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.192404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.192404 (E_RNA)
where:
Base-Base interactions energy: -1417.532
where: short stacking energy: -609.065
Base-Backbone interact. energy: -0.082
local terms energy: -635.577954
where:
bonds (distance) C4'-P energy: -119.790
bonds (distance) P-C4' energy: -120.871
flat angles C4'-P-C4' energy: -148.190
flat angles P-C4'-P energy: -94.039
tors. eta vs tors. theta energy: -152.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1674.075540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.075540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.075540 (E_RNA)
where:
Base-Base interactions energy: -1142.382
where: short stacking energy: -507.178
Base-Backbone interact. energy: 0.527
local terms energy: -532.220191
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -109.093
flat angles C4'-P-C4' energy: -109.447
flat angles P-C4'-P energy: -93.677
tors. eta vs tors. theta energy: -105.333
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: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1378.695126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.695126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.695126 (E_RNA)
where:
Base-Base interactions energy: -863.412
where: short stacking energy: -404.639
Base-Backbone interact. energy: -2.155
local terms energy: -513.128152
where:
bonds (distance) C4'-P energy: -108.317
bonds (distance) P-C4' energy: -110.095
flat angles C4'-P-C4' energy: -135.431
flat angles P-C4'-P energy: -75.888
tors. eta vs tors. theta energy: -83.397
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: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1026.843610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.843610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.843610 (E_RNA)
where:
Base-Base interactions energy: -585.986
where: short stacking energy: -289.197
Base-Backbone interact. energy: 4.959
local terms energy: -445.817001
where:
bonds (distance) C4'-P energy: -92.924
bonds (distance) P-C4' energy: -129.358
flat angles C4'-P-C4' energy: -110.980
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: -39.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1045.431339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.431339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.431339 (E_RNA)
where:
Base-Base interactions energy: -637.575
where: short stacking energy: -319.758
Base-Backbone interact. energy: 5.487
local terms energy: -413.343417
where:
bonds (distance) C4'-P energy: -97.986
bonds (distance) P-C4' energy: -127.917
flat angles C4'-P-C4' energy: -94.148
flat angles P-C4'-P energy: -61.212
tors. eta vs tors. theta energy: -32.081
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: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2593.528278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.528278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.528278 (E_RNA)
where:
Base-Base interactions energy: -1813.910
where: short stacking energy: -786.628
Base-Backbone interact. energy: -0.670
local terms energy: -778.948839
where:
bonds (distance) C4'-P energy: -136.620
bonds (distance) P-C4' energy: -147.582
flat angles C4'-P-C4' energy: -162.198
flat angles P-C4'-P energy: -111.302
tors. eta vs tors. theta energy: -221.247
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2486.455155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.455155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.455155 (E_RNA)
where:
Base-Base interactions energy: -1728.882
where: short stacking energy: -729.010
Base-Backbone interact. energy: -2.278
local terms energy: -755.295280
where:
bonds (distance) C4'-P energy: -136.365
bonds (distance) P-C4' energy: -150.518
flat angles C4'-P-C4' energy: -165.509
flat angles P-C4'-P energy: -95.468
tors. eta vs tors. theta energy: -207.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2401.410592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.410592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.410592 (E_RNA)
where:
Base-Base interactions energy: -1678.845
where: short stacking energy: -709.957
Base-Backbone interact. energy: -3.299
local terms energy: -719.267372
where:
bonds (distance) C4'-P energy: -117.884
bonds (distance) P-C4' energy: -145.847
flat angles C4'-P-C4' energy: -143.640
flat angles P-C4'-P energy: -103.499
tors. eta vs tors. theta energy: -208.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2279.846630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.846630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.846630 (E_RNA)
where:
Base-Base interactions energy: -1564.748
where: short stacking energy: -672.929
Base-Backbone interact. energy: -1.914
local terms energy: -713.184552
where:
bonds (distance) C4'-P energy: -132.664
bonds (distance) P-C4' energy: -126.173
flat angles C4'-P-C4' energy: -153.944
flat angles P-C4'-P energy: -102.820
tors. eta vs tors. theta energy: -197.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2150.545354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.545354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.545354 (E_RNA)
where:
Base-Base interactions energy: -1481.422
where: short stacking energy: -646.155
Base-Backbone interact. energy: -2.313
local terms energy: -666.809931
where:
bonds (distance) C4'-P energy: -114.963
bonds (distance) P-C4' energy: -136.499
flat angles C4'-P-C4' energy: -134.898
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -188.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1996.864121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.864121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.864121 (E_RNA)
where:
Base-Base interactions energy: -1400.150
where: short stacking energy: -558.644
Base-Backbone interact. energy: 0.234
local terms energy: -596.947862
where:
bonds (distance) C4'-P energy: -116.925
bonds (distance) P-C4' energy: -123.527
flat angles C4'-P-C4' energy: -134.863
flat angles P-C4'-P energy: -66.832
tors. eta vs tors. theta energy: -154.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1627.280981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.280981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.280981 (E_RNA)
where:
Base-Base interactions energy: -1052.047
where: short stacking energy: -477.435
Base-Backbone interact. energy: -2.373
local terms energy: -572.860810
where:
bonds (distance) C4'-P energy: -127.418
bonds (distance) P-C4' energy: -137.542
flat angles C4'-P-C4' energy: -115.438
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -109.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1377.234103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.234103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.234103 (E_RNA)
where:
Base-Base interactions energy: -846.923
where: short stacking energy: -416.606
Base-Backbone interact. energy: -4.121
local terms energy: -526.189273
where:
bonds (distance) C4'-P energy: -108.568
bonds (distance) P-C4' energy: -129.434
flat angles C4'-P-C4' energy: -128.224
flat angles P-C4'-P energy: -71.721
tors. eta vs tors. theta energy: -88.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1105.538175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.538175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.538175 (E_RNA)
where:
Base-Base interactions energy: -652.236
where: short stacking energy: -349.046
Base-Backbone interact. energy: 2.007
local terms energy: -455.309198
where:
bonds (distance) C4'-P energy: -115.232
bonds (distance) P-C4' energy: -109.942
flat angles C4'-P-C4' energy: -109.618
flat angles P-C4'-P energy: -72.707
tors. eta vs tors. theta energy: -47.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -959.509247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.509247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.509247 (E_RNA)
where:
Base-Base interactions energy: -535.909
where: short stacking energy: -279.014
Base-Backbone interact. energy: -1.311
local terms energy: -422.289049
where:
bonds (distance) C4'-P energy: -103.736
bonds (distance) P-C4' energy: -125.134
flat angles C4'-P-C4' energy: -124.462
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -20.937
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: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2583.712193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.712193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.712193 (E_RNA)
where:
Base-Base interactions energy: -1804.893
where: short stacking energy: -764.365
Base-Backbone interact. energy: -3.134
local terms energy: -775.685531
where:
bonds (distance) C4'-P energy: -138.697
bonds (distance) P-C4' energy: -141.232
flat angles C4'-P-C4' energy: -157.609
flat angles P-C4'-P energy: -107.978
tors. eta vs tors. theta energy: -230.170
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: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2495.209712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.209712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.209712 (E_RNA)
where:
Base-Base interactions energy: -1723.669
where: short stacking energy: -739.941
Base-Backbone interact. energy: -3.373
local terms energy: -768.167927
where:
bonds (distance) C4'-P energy: -148.466
bonds (distance) P-C4' energy: -131.462
flat angles C4'-P-C4' energy: -162.963
flat angles P-C4'-P energy: -107.210
tors. eta vs tors. theta energy: -218.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2386.852383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.852383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.852383 (E_RNA)
where:
Base-Base interactions energy: -1664.733
where: short stacking energy: -716.099
Base-Backbone interact. energy: -1.284
local terms energy: -720.835873
where:
bonds (distance) C4'-P energy: -147.865
bonds (distance) P-C4' energy: -120.433
flat angles C4'-P-C4' energy: -143.696
flat angles P-C4'-P energy: -98.240
tors. eta vs tors. theta energy: -210.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2275.955563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.955563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.955563 (E_RNA)
where:
Base-Base interactions energy: -1553.561
where: short stacking energy: -658.172
Base-Backbone interact. energy: -1.650
local terms energy: -720.743991
where:
bonds (distance) C4'-P energy: -119.772
bonds (distance) P-C4' energy: -141.821
flat angles C4'-P-C4' energy: -151.068
flat angles P-C4'-P energy: -99.728
tors. eta vs tors. theta energy: -208.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2133.678699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.678699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.678699 (E_RNA)
where:
Base-Base interactions energy: -1468.727
where: short stacking energy: -607.327
Base-Backbone interact. energy: -3.256
local terms energy: -661.696027
where:
bonds (distance) C4'-P energy: -123.181
bonds (distance) P-C4' energy: -147.492
flat angles C4'-P-C4' energy: -147.319
flat angles P-C4'-P energy: -82.271
tors. eta vs tors. theta energy: -161.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2025.807772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.807772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.807772 (E_RNA)
where:
Base-Base interactions energy: -1386.678
where: short stacking energy: -591.498
Base-Backbone interact. energy: -3.511
local terms energy: -635.618528
where:
bonds (distance) C4'-P energy: -118.047
bonds (distance) P-C4' energy: -117.947
flat angles C4'-P-C4' energy: -147.645
flat angles P-C4'-P energy: -82.236
tors. eta vs tors. theta energy: -169.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1771.037858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.037858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.037858 (E_RNA)
where:
Base-Base interactions energy: -1196.811
where: short stacking energy: -522.366
Base-Backbone interact. energy: -0.988
local terms energy: -573.238819
where:
bonds (distance) C4'-P energy: -114.445
bonds (distance) P-C4' energy: -125.648
flat angles C4'-P-C4' energy: -142.479
flat angles P-C4'-P energy: -62.655
tors. eta vs tors. theta energy: -128.011
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: 413
Temperature: 1.250000
Total energy: -1367.295430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.295430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.295430 (E_RNA)
where:
Base-Base interactions energy: -851.636
where: short stacking energy: -410.789
Base-Backbone interact. energy: -4.000
local terms energy: -511.659614
where:
bonds (distance) C4'-P energy: -118.874
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -126.756
flat angles P-C4'-P energy: -61.210
tors. eta vs tors. theta energy: -83.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1129.746564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.746564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.746564 (E_RNA)
where:
Base-Base interactions energy: -661.426
where: short stacking energy: -326.796
Base-Backbone interact. energy: -0.129
local terms energy: -468.191536
where:
bonds (distance) C4'-P energy: -105.059
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -123.024
flat angles P-C4'-P energy: -79.553
tors. eta vs tors. theta energy: -46.075
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: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -960.092907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.092907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.092907 (E_RNA)
where:
Base-Base interactions energy: -538.049
where: short stacking energy: -300.601
Base-Backbone interact. energy: -2.425
local terms energy: -419.618674
where:
bonds (distance) C4'-P energy: -116.199
bonds (distance) P-C4' energy: -121.075
flat angles C4'-P-C4' energy: -93.218
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2594.496707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.496707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.496707 (E_RNA)
where:
Base-Base interactions energy: -1798.923
where: short stacking energy: -759.945
Base-Backbone interact. energy: -1.645
local terms energy: -793.929039
where:
bonds (distance) C4'-P energy: -140.631
bonds (distance) P-C4' energy: -142.044
flat angles C4'-P-C4' energy: -174.439
flat angles P-C4'-P energy: -111.639
tors. eta vs tors. theta energy: -225.176
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: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2480.583686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.583686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.583686 (E_RNA)
where:
Base-Base interactions energy: -1729.575
where: short stacking energy: -736.361
Base-Backbone interact. energy: -3.700
local terms energy: -747.308440
where:
bonds (distance) C4'-P energy: -133.924
bonds (distance) P-C4' energy: -147.578
flat angles C4'-P-C4' energy: -164.028
flat angles P-C4'-P energy: -101.619
tors. eta vs tors. theta energy: -200.159
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: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2399.275515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.275515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.275515 (E_RNA)
where:
Base-Base interactions energy: -1640.372
where: short stacking energy: -728.209
Base-Backbone interact. energy: -3.413
local terms energy: -755.490715
where:
bonds (distance) C4'-P energy: -126.016
bonds (distance) P-C4' energy: -137.701
flat angles C4'-P-C4' energy: -165.954
flat angles P-C4'-P energy: -100.305
tors. eta vs tors. theta energy: -225.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2262.956606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.956606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.956606 (E_RNA)
where:
Base-Base interactions energy: -1531.570
where: short stacking energy: -683.382
Base-Backbone interact. energy: -1.969
local terms energy: -729.417300
where:
bonds (distance) C4'-P energy: -132.850
bonds (distance) P-C4' energy: -142.840
flat angles C4'-P-C4' energy: -143.577
flat angles P-C4'-P energy: -108.291
tors. eta vs tors. theta energy: -201.859
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: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2190.094189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.094189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.094189 (E_RNA)
where:
Base-Base interactions energy: -1512.456
where: short stacking energy: -631.263
Base-Backbone interact. energy: -2.884
local terms energy: -674.754587
where:
bonds (distance) C4'-P energy: -118.403
bonds (distance) P-C4' energy: -122.307
flat angles C4'-P-C4' energy: -153.238
flat angles P-C4'-P energy: -97.972
tors. eta vs tors. theta energy: -182.834
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: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2038.374157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.374157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.374157 (E_RNA)
where:
Base-Base interactions energy: -1366.508
where: short stacking energy: -581.971
Base-Backbone interact. energy: 2.137
local terms energy: -674.002593
where:
bonds (distance) C4'-P energy: -126.911
bonds (distance) P-C4' energy: -124.623
flat angles C4'-P-C4' energy: -154.088
flat angles P-C4'-P energy: -101.181
tors. eta vs tors. theta energy: -167.200
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1762.991704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.991704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.991704 (E_RNA)
where:
Base-Base interactions energy: -1192.162
where: short stacking energy: -520.537
Base-Backbone interact. energy: -1.278
local terms energy: -569.551663
where:
bonds (distance) C4'-P energy: -118.093
bonds (distance) P-C4' energy: -105.018
flat angles C4'-P-C4' energy: -142.528
flat angles P-C4'-P energy: -84.001
tors. eta vs tors. theta energy: -119.912
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: 414
Temperature: 1.250000
Total energy: -1375.672449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.672449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.672449 (E_RNA)
where:
Base-Base interactions energy: -853.272
where: short stacking energy: -404.135
Base-Backbone interact. energy: -1.365
local terms energy: -521.035682
where:
bonds (distance) C4'-P energy: -124.543
bonds (distance) P-C4' energy: -139.162
flat angles C4'-P-C4' energy: -110.439
flat angles P-C4'-P energy: -71.528
tors. eta vs tors. theta energy: -75.363
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: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1155.497902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.497902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.497902 (E_RNA)
where:
Base-Base interactions energy: -677.069
where: short stacking energy: -332.409
Base-Backbone interact. energy: 3.152
local terms energy: -481.581106
where:
bonds (distance) C4'-P energy: -121.848
bonds (distance) P-C4' energy: -120.119
flat angles C4'-P-C4' energy: -115.600
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -43.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -980.437983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.437983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.437983 (E_RNA)
where:
Base-Base interactions energy: -546.051
where: short stacking energy: -275.939
Base-Backbone interact. energy: 5.435
local terms energy: -439.821985
where:
bonds (distance) C4'-P energy: -113.207
bonds (distance) P-C4' energy: -129.707
flat angles C4'-P-C4' energy: -109.643
flat angles P-C4'-P energy: -48.539
tors. eta vs tors. theta energy: -38.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2565.411072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.411072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.411072 (E_RNA)
where:
Base-Base interactions energy: -1768.922
where: short stacking energy: -748.849
Base-Backbone interact. energy: -3.163
local terms energy: -793.325716
where:
bonds (distance) C4'-P energy: -143.847
bonds (distance) P-C4' energy: -160.611
flat angles C4'-P-C4' energy: -154.852
flat angles P-C4'-P energy: -110.419
tors. eta vs tors. theta energy: -223.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2479.516433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.516433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.516433 (E_RNA)
where:
Base-Base interactions energy: -1716.006
where: short stacking energy: -758.215
Base-Backbone interact. energy: -1.799
local terms energy: -761.710853
where:
bonds (distance) C4'-P energy: -136.771
bonds (distance) P-C4' energy: -133.159
flat angles C4'-P-C4' energy: -162.657
flat angles P-C4'-P energy: -105.218
tors. eta vs tors. theta energy: -223.906
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: 415
Temperature: 1.000000
Total energy: -2448.124294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.124294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.124294 (E_RNA)
where:
Base-Base interactions energy: -1727.128
where: short stacking energy: -729.776
Base-Backbone interact. energy: -1.605
local terms energy: -719.390994
where:
bonds (distance) C4'-P energy: -127.783
bonds (distance) P-C4' energy: -127.556
flat angles C4'-P-C4' energy: -152.698
flat angles P-C4'-P energy: -96.925
tors. eta vs tors. theta energy: -214.430
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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2262.611835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.611835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.611835 (E_RNA)
where:
Base-Base interactions energy: -1543.695
where: short stacking energy: -672.363
Base-Backbone interact. energy: 1.249
local terms energy: -720.165534
where:
bonds (distance) C4'-P energy: -132.356
bonds (distance) P-C4' energy: -142.958
flat angles C4'-P-C4' energy: -146.008
flat angles P-C4'-P energy: -92.726
tors. eta vs tors. theta energy: -206.117
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: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2204.877613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.877613 (E_RNA)
where:
Base-Base interactions energy: -1544.603
where: short stacking energy: -630.782
Base-Backbone interact. energy: 1.687
local terms energy: -661.961806
where:
bonds (distance) C4'-P energy: -127.016
bonds (distance) P-C4' energy: -134.375
flat angles C4'-P-C4' energy: -140.239
flat angles P-C4'-P energy: -87.085
tors. eta vs tors. theta energy: -173.248
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: 415
Temperature: 1.150000
Total energy: -2037.051349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.051349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.051349 (E_RNA)
where:
Base-Base interactions energy: -1385.604
where: short stacking energy: -611.762
Base-Backbone interact. energy: 0.958
local terms energy: -652.405413
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -135.549
flat angles C4'-P-C4' energy: -150.197
flat angles P-C4'-P energy: -72.825
tors. eta vs tors. theta energy: -172.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1786.433384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.433384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.433384 (E_RNA)
where:
Base-Base interactions energy: -1250.288
where: short stacking energy: -521.709
Base-Backbone interact. energy: 1.592
local terms energy: -537.737174
where:
bonds (distance) C4'-P energy: -81.172
bonds (distance) P-C4' energy: -110.490
flat angles C4'-P-C4' energy: -137.582
flat angles P-C4'-P energy: -82.569
tors. eta vs tors. theta energy: -125.924
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1433.947510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.947510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.947510 (E_RNA)
where:
Base-Base interactions energy: -885.128
where: short stacking energy: -449.550
Base-Backbone interact. energy: -1.080
local terms energy: -547.739003
where:
bonds (distance) C4'-P energy: -101.406
bonds (distance) P-C4' energy: -134.009
flat angles C4'-P-C4' energy: -132.181
flat angles P-C4'-P energy: -70.595
tors. eta vs tors. theta energy: -109.548
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: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1165.921594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.921594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.921594 (E_RNA)
where:
Base-Base interactions energy: -717.358
where: short stacking energy: -308.967
Base-Backbone interact. energy: -4.774
local terms energy: -443.789533
where:
bonds (distance) C4'-P energy: -105.663
bonds (distance) P-C4' energy: -110.175
flat angles C4'-P-C4' energy: -125.226
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -49.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1047.986524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.986524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.986524 (E_RNA)
where:
Base-Base interactions energy: -629.458
where: short stacking energy: -324.435
Base-Backbone interact. energy: -2.682
local terms energy: -415.845827
where:
bonds (distance) C4'-P energy: -104.920
bonds (distance) P-C4' energy: -119.974
flat angles C4'-P-C4' energy: -87.696
flat angles P-C4'-P energy: -58.559
tors. eta vs tors. theta energy: -44.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2614.025853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.025853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.025853 (E_RNA)
where:
Base-Base interactions energy: -1791.628
where: short stacking energy: -758.044
Base-Backbone interact. energy: -4.795
local terms energy: -817.603585
where:
bonds (distance) C4'-P energy: -148.970
bonds (distance) P-C4' energy: -143.125
flat angles C4'-P-C4' energy: -163.001
flat angles P-C4'-P energy: -125.644
tors. eta vs tors. theta energy: -236.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2500.888519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.888519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.888519 (E_RNA)
where:
Base-Base interactions energy: -1761.849
where: short stacking energy: -780.766
Base-Backbone interact. energy: -2.161
local terms energy: -736.877530
where:
bonds (distance) C4'-P energy: -124.095
bonds (distance) P-C4' energy: -136.954
flat angles C4'-P-C4' energy: -149.338
flat angles P-C4'-P energy: -105.103
tors. eta vs tors. theta energy: -221.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2445.806035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.806035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.806035 (E_RNA)
where:
Base-Base interactions energy: -1692.345
where: short stacking energy: -736.646
Base-Backbone interact. energy: -3.201
local terms energy: -750.259455
where:
bonds (distance) C4'-P energy: -120.691
bonds (distance) P-C4' energy: -136.276
flat angles C4'-P-C4' energy: -168.510
flat angles P-C4'-P energy: -113.860
tors. eta vs tors. theta energy: -210.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2267.885452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.885452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.885452 (E_RNA)
where:
Base-Base interactions energy: -1545.426
where: short stacking energy: -692.200
Base-Backbone interact. energy: -0.949
local terms energy: -721.511044
where:
bonds (distance) C4'-P energy: -131.625
bonds (distance) P-C4' energy: -122.296
flat angles C4'-P-C4' energy: -162.218
flat angles P-C4'-P energy: -106.317
tors. eta vs tors. theta energy: -199.055
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: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2257.658553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.658553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.658553 (E_RNA)
where:
Base-Base interactions energy: -1566.408
where: short stacking energy: -681.297
Base-Backbone interact. energy: 6.427
local terms energy: -697.677765
where:
bonds (distance) C4'-P energy: -133.259
bonds (distance) P-C4' energy: -119.969
flat angles C4'-P-C4' energy: -148.120
flat angles P-C4'-P energy: -98.101
tors. eta vs tors. theta energy: -198.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2047.951023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.951023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.951023 (E_RNA)
where:
Base-Base interactions energy: -1392.951
where: short stacking energy: -561.621
Base-Backbone interact. energy: -3.576
local terms energy: -651.423861
where:
bonds (distance) C4'-P energy: -126.680
bonds (distance) P-C4' energy: -135.729
flat angles C4'-P-C4' energy: -147.057
flat angles P-C4'-P energy: -85.501
tors. eta vs tors. theta energy: -156.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1757.542205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.542205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.542205 (E_RNA)
where:
Base-Base interactions energy: -1176.662
where: short stacking energy: -492.906
Base-Backbone interact. energy: -3.950
local terms energy: -576.930518
where:
bonds (distance) C4'-P energy: -113.037
bonds (distance) P-C4' energy: -130.131
flat angles C4'-P-C4' energy: -130.552
flat angles P-C4'-P energy: -80.368
tors. eta vs tors. theta energy: -122.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1400.129745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.129745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.129745 (E_RNA)
where:
Base-Base interactions energy: -892.145
where: short stacking energy: -417.791
Base-Backbone interact. energy: -0.391
local terms energy: -507.593779
where:
bonds (distance) C4'-P energy: -115.855
bonds (distance) P-C4' energy: -123.131
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -81.725
tors. eta vs tors. theta energy: -76.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1219.767908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.767908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.767908 (E_RNA)
where:
Base-Base interactions energy: -741.348
where: short stacking energy: -345.555
Base-Backbone interact. energy: -3.557
local terms energy: -474.863317
where:
bonds (distance) C4'-P energy: -106.179
bonds (distance) P-C4' energy: -124.730
flat angles C4'-P-C4' energy: -113.027
flat angles P-C4'-P energy: -71.761
tors. eta vs tors. theta energy: -59.166
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: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1016.394291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.394291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.394291 (E_RNA)
where:
Base-Base interactions energy: -598.847
where: short stacking energy: -290.507
Base-Backbone interact. energy: 3.354
local terms energy: -420.901254
where:
bonds (distance) C4'-P energy: -119.739
bonds (distance) P-C4' energy: -121.787
flat angles C4'-P-C4' energy: -102.144
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2556.560424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.560424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.560424 (E_RNA)
where:
Base-Base interactions energy: -1771.564
where: short stacking energy: -750.951
Base-Backbone interact. energy: -4.581
local terms energy: -780.416241
where:
bonds (distance) C4'-P energy: -136.850
bonds (distance) P-C4' energy: -140.338
flat angles C4'-P-C4' energy: -158.648
flat angles P-C4'-P energy: -106.953
tors. eta vs tors. theta energy: -237.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2471.051869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.051869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.051869 (E_RNA)
where:
Base-Base interactions energy: -1712.307
where: short stacking energy: -732.120
Base-Backbone interact. energy: -3.046
local terms energy: -755.698581
where:
bonds (distance) C4'-P energy: -141.450
bonds (distance) P-C4' energy: -133.166
flat angles C4'-P-C4' energy: -159.013
flat angles P-C4'-P energy: -110.017
tors. eta vs tors. theta energy: -212.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2468.722058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.722058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.722058 (E_RNA)
where:
Base-Base interactions energy: -1700.547
where: short stacking energy: -743.589
Base-Backbone interact. energy: -4.497
local terms energy: -763.677179
where:
bonds (distance) C4'-P energy: -122.498
bonds (distance) P-C4' energy: -146.082
flat angles C4'-P-C4' energy: -165.447
flat angles P-C4'-P energy: -114.316
tors. eta vs tors. theta energy: -215.334
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: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2293.383908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.383908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.383908 (E_RNA)
where:
Base-Base interactions energy: -1595.882
where: short stacking energy: -685.708
Base-Backbone interact. energy: -0.741
local terms energy: -696.761580
where:
bonds (distance) C4'-P energy: -115.482
bonds (distance) P-C4' energy: -129.404
flat angles C4'-P-C4' energy: -153.228
flat angles P-C4'-P energy: -100.218
tors. eta vs tors. theta energy: -198.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2197.399400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.399400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.399400 (E_RNA)
where:
Base-Base interactions energy: -1501.001
where: short stacking energy: -659.988
Base-Backbone interact. energy: -1.658
local terms energy: -694.740029
where:
bonds (distance) C4'-P energy: -143.436
bonds (distance) P-C4' energy: -127.436
flat angles C4'-P-C4' energy: -147.974
flat angles P-C4'-P energy: -86.530
tors. eta vs tors. theta energy: -189.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2074.979335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.979335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.979335 (E_RNA)
where:
Base-Base interactions energy: -1438.769
where: short stacking energy: -569.618
Base-Backbone interact. energy: -3.644
local terms energy: -632.566561
where:
bonds (distance) C4'-P energy: -119.268
bonds (distance) P-C4' energy: -136.931
flat angles C4'-P-C4' energy: -134.168
flat angles P-C4'-P energy: -86.728
tors. eta vs tors. theta energy: -155.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1755.012538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.012538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.012538 (E_RNA)
where:
Base-Base interactions energy: -1161.701
where: short stacking energy: -497.535
Base-Backbone interact. energy: -0.583
local terms energy: -592.729458
where:
bonds (distance) C4'-P energy: -127.567
bonds (distance) P-C4' energy: -128.529
flat angles C4'-P-C4' energy: -137.335
flat angles P-C4'-P energy: -83.582
tors. eta vs tors. theta energy: -115.716
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: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1363.245075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.245075 (E_RNA)
where:
Base-Base interactions energy: -869.772
where: short stacking energy: -384.763
Base-Backbone interact. energy: -1.296
local terms energy: -492.176957
where:
bonds (distance) C4'-P energy: -117.730
bonds (distance) P-C4' energy: -92.315
flat angles C4'-P-C4' energy: -129.948
flat angles P-C4'-P energy: -84.610
tors. eta vs tors. theta energy: -67.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1211.387486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.387486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.387486 (E_RNA)
where:
Base-Base interactions energy: -735.842
where: short stacking energy: -380.194
Base-Backbone interact. energy: -3.591
local terms energy: -471.954770
where:
bonds (distance) C4'-P energy: -98.217
bonds (distance) P-C4' energy: -116.411
flat angles C4'-P-C4' energy: -116.877
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -72.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1009.642461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.642461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.642461 (E_RNA)
where:
Base-Base interactions energy: -597.417
where: short stacking energy: -315.744
Base-Backbone interact. energy: 3.214
local terms energy: -415.439793
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -117.095
flat angles C4'-P-C4' energy: -112.521
flat angles P-C4'-P energy: -58.509
tors. eta vs tors. theta energy: -34.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2567.632442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.632442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.632442 (E_RNA)
where:
Base-Base interactions energy: -1793.631
where: short stacking energy: -757.188
Base-Backbone interact. energy: 0.952
local terms energy: -774.953467
where:
bonds (distance) C4'-P energy: -144.392
bonds (distance) P-C4' energy: -147.356
flat angles C4'-P-C4' energy: -166.862
flat angles P-C4'-P energy: -98.841
tors. eta vs tors. theta energy: -217.502
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: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2456.619794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.619794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.619794 (E_RNA)
where:
Base-Base interactions energy: -1705.788
where: short stacking energy: -723.810
Base-Backbone interact. energy: -1.959
local terms energy: -748.872586
where:
bonds (distance) C4'-P energy: -135.923
bonds (distance) P-C4' energy: -131.178
flat angles C4'-P-C4' energy: -161.739
flat angles P-C4'-P energy: -109.419
tors. eta vs tors. theta energy: -210.613
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: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2427.489741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.489741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.489741 (E_RNA)
where:
Base-Base interactions energy: -1699.046
where: short stacking energy: -717.631
Base-Backbone interact. energy: -4.351
local terms energy: -724.093113
where:
bonds (distance) C4'-P energy: -123.261
bonds (distance) P-C4' energy: -138.000
flat angles C4'-P-C4' energy: -158.528
flat angles P-C4'-P energy: -103.247
tors. eta vs tors. theta energy: -201.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2327.861178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.861178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.861178 (E_RNA)
where:
Base-Base interactions energy: -1631.225
where: short stacking energy: -703.733
Base-Backbone interact. energy: -0.779
local terms energy: -695.856626
where:
bonds (distance) C4'-P energy: -124.480
bonds (distance) P-C4' energy: -134.209
flat angles C4'-P-C4' energy: -157.804
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -192.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2153.779559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.779559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.779559 (E_RNA)
where:
Base-Base interactions energy: -1487.358
where: short stacking energy: -641.955
Base-Backbone interact. energy: 2.481
local terms energy: -668.902681
where:
bonds (distance) C4'-P energy: -143.143
bonds (distance) P-C4' energy: -118.041
flat angles C4'-P-C4' energy: -147.471
flat angles P-C4'-P energy: -80.981
tors. eta vs tors. theta energy: -179.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2047.104114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.104114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.104114 (E_RNA)
where:
Base-Base interactions energy: -1434.098
where: short stacking energy: -578.404
Base-Backbone interact. energy: -4.990
local terms energy: -608.016452
where:
bonds (distance) C4'-P energy: -113.377
bonds (distance) P-C4' energy: -111.560
flat angles C4'-P-C4' energy: -128.218
flat angles P-C4'-P energy: -90.033
tors. eta vs tors. theta energy: -164.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1699.741058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.741058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.741058 (E_RNA)
where:
Base-Base interactions energy: -1128.348
where: short stacking energy: -513.131
Base-Backbone interact. energy: 4.568
local terms energy: -575.961690
where:
bonds (distance) C4'-P energy: -120.055
bonds (distance) P-C4' energy: -127.120
flat angles C4'-P-C4' energy: -118.094
flat angles P-C4'-P energy: -85.013
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: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1436.116929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.116929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.116929 (E_RNA)
where:
Base-Base interactions energy: -920.209
where: short stacking energy: -427.156
Base-Backbone interact. energy: -0.456
local terms energy: -515.452230
where:
bonds (distance) C4'-P energy: -107.317
bonds (distance) P-C4' energy: -116.079
flat angles C4'-P-C4' energy: -121.596
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -99.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1169.127796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.127796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.127796 (E_RNA)
where:
Base-Base interactions energy: -707.035
where: short stacking energy: -325.842
Base-Backbone interact. energy: 2.940
local terms energy: -465.033278
where:
bonds (distance) C4'-P energy: -121.017
bonds (distance) P-C4' energy: -119.184
flat angles C4'-P-C4' energy: -111.016
flat angles P-C4'-P energy: -75.675
tors. eta vs tors. theta energy: -38.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -982.417116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.417116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.417116 (E_RNA)
where:
Base-Base interactions energy: -540.900
where: short stacking energy: -276.618
Base-Backbone interact. energy: -2.425
local terms energy: -439.092460
where:
bonds (distance) C4'-P energy: -105.725
bonds (distance) P-C4' energy: -137.525
flat angles C4'-P-C4' energy: -107.443
flat angles P-C4'-P energy: -62.708
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2595.940691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.940691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.940691 (E_RNA)
where:
Base-Base interactions energy: -1807.363
where: short stacking energy: -769.986
Base-Backbone interact. energy: -5.593
local terms energy: -782.984749
where:
bonds (distance) C4'-P energy: -141.393
bonds (distance) P-C4' energy: -136.574
flat angles C4'-P-C4' energy: -165.565
flat angles P-C4'-P energy: -108.218
tors. eta vs tors. theta energy: -231.235
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: 419
Temperature: 0.950000
Total energy: -2494.812313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.812313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.812313 (E_RNA)
where:
Base-Base interactions energy: -1727.010
where: short stacking energy: -738.144
Base-Backbone interact. energy: -4.547
local terms energy: -763.254986
where:
bonds (distance) C4'-P energy: -141.140
bonds (distance) P-C4' energy: -140.184
flat angles C4'-P-C4' energy: -161.619
flat angles P-C4'-P energy: -107.392
tors. eta vs tors. theta energy: -212.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2441.335360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.335360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.335360 (E_RNA)
where:
Base-Base interactions energy: -1691.835
where: short stacking energy: -732.553
Base-Backbone interact. energy: -1.664
local terms energy: -747.836928
where:
bonds (distance) C4'-P energy: -138.528
bonds (distance) P-C4' energy: -142.354
flat angles C4'-P-C4' energy: -157.154
flat angles P-C4'-P energy: -98.600
tors. eta vs tors. theta energy: -211.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2270.888843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.888843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.888843 (E_RNA)
where:
Base-Base interactions energy: -1574.783
where: short stacking energy: -668.374
Base-Backbone interact. energy: 0.228
local terms energy: -696.333822
where:
bonds (distance) C4'-P energy: -124.981
bonds (distance) P-C4' energy: -128.183
flat angles C4'-P-C4' energy: -155.888
flat angles P-C4'-P energy: -91.469
tors. eta vs tors. theta energy: -195.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2135.583232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.583232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.583232 (E_RNA)
where:
Base-Base interactions energy: -1485.462
where: short stacking energy: -625.803
Base-Backbone interact. energy: 2.945
local terms energy: -653.066932
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -132.354
flat angles C4'-P-C4' energy: -149.827
flat angles P-C4'-P energy: -84.843
tors. eta vs tors. theta energy: -181.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2023.539494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.539494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.539494 (E_RNA)
where:
Base-Base interactions energy: -1375.186
where: short stacking energy: -593.925
Base-Backbone interact. energy: 7.187
local terms energy: -655.540853
where:
bonds (distance) C4'-P energy: -132.515
bonds (distance) P-C4' energy: -128.469
flat angles C4'-P-C4' energy: -152.380
flat angles P-C4'-P energy: -88.403
tors. eta vs tors. theta energy: -153.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1696.925235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.925235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.925235 (E_RNA)
where:
Base-Base interactions energy: -1148.191
where: short stacking energy: -507.648
Base-Backbone interact. energy: -2.608
local terms energy: -546.125756
where:
bonds (distance) C4'-P energy: -112.185
bonds (distance) P-C4' energy: -123.720
flat angles C4'-P-C4' energy: -120.498
flat angles P-C4'-P energy: -72.519
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: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1381.850989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.850989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.850989 (E_RNA)
where:
Base-Base interactions energy: -866.827
where: short stacking energy: -425.054
Base-Backbone interact. energy: -1.370
local terms energy: -513.653984
where:
bonds (distance) C4'-P energy: -144.092
bonds (distance) P-C4' energy: -104.771
flat angles C4'-P-C4' energy: -113.033
flat angles P-C4'-P energy: -64.589
tors. eta vs tors. theta energy: -87.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1197.080302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.080302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.080302 (E_RNA)
where:
Base-Base interactions energy: -762.464
where: short stacking energy: -326.259
Base-Backbone interact. energy: 1.250
local terms energy: -435.865470
where:
bonds (distance) C4'-P energy: -130.190
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -103.703
flat angles P-C4'-P energy: -56.881
tors. eta vs tors. theta energy: -35.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -989.614475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.614475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.614475 (E_RNA)
where:
Base-Base interactions energy: -549.590
where: short stacking energy: -290.905
Base-Backbone interact. energy: -5.312
local terms energy: -434.711998
where:
bonds (distance) C4'-P energy: -106.427
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -115.618
flat angles P-C4'-P energy: -68.903
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2594.149709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.149709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.149709 (E_RNA)
where:
Base-Base interactions energy: -1792.704
where: short stacking energy: -774.154
Base-Backbone interact. energy: 0.068
local terms energy: -801.514017
where:
bonds (distance) C4'-P energy: -153.649
bonds (distance) P-C4' energy: -144.231
flat angles C4'-P-C4' energy: -163.558
flat angles P-C4'-P energy: -110.579
tors. eta vs tors. theta energy: -229.497
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: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2491.754770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.754770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.754770 (E_RNA)
where:
Base-Base interactions energy: -1719.011
where: short stacking energy: -721.985
Base-Backbone interact. energy: -8.273
local terms energy: -764.471528
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -146.716
flat angles C4'-P-C4' energy: -160.538
flat angles P-C4'-P energy: -110.115
tors. eta vs tors. theta energy: -225.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2400.318947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.318947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.318947 (E_RNA)
where:
Base-Base interactions energy: -1675.940
where: short stacking energy: -702.706
Base-Backbone interact. energy: 2.134
local terms energy: -726.513334
where:
bonds (distance) C4'-P energy: -129.259
bonds (distance) P-C4' energy: -146.412
flat angles C4'-P-C4' energy: -145.574
flat angles P-C4'-P energy: -104.862
tors. eta vs tors. theta energy: -200.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2297.552342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.552342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.552342 (E_RNA)
where:
Base-Base interactions energy: -1600.921
where: short stacking energy: -677.772
Base-Backbone interact. energy: -2.302
local terms energy: -694.329372
where:
bonds (distance) C4'-P energy: -127.129
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -148.447
flat angles P-C4'-P energy: -90.721
tors. eta vs tors. theta energy: -198.150
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: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2125.170824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.170824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.170824 (E_RNA)
where:
Base-Base interactions energy: -1494.341
where: short stacking energy: -629.482
Base-Backbone interact. energy: 1.514
local terms energy: -632.343791
where:
bonds (distance) C4'-P energy: -108.674
bonds (distance) P-C4' energy: -131.016
flat angles C4'-P-C4' energy: -139.783
flat angles P-C4'-P energy: -83.483
tors. eta vs tors. theta energy: -169.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2054.310192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.310192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.310192 (E_RNA)
where:
Base-Base interactions energy: -1404.935
where: short stacking energy: -567.970
Base-Backbone interact. energy: -2.218
local terms energy: -647.157712
where:
bonds (distance) C4'-P energy: -121.344
bonds (distance) P-C4' energy: -130.033
flat angles C4'-P-C4' energy: -144.274
flat angles P-C4'-P energy: -91.847
tors. eta vs tors. theta energy: -159.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1710.806521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.806521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.806521 (E_RNA)
where:
Base-Base interactions energy: -1118.926
where: short stacking energy: -488.158
Base-Backbone interact. energy: 0.348
local terms energy: -592.228675
where:
bonds (distance) C4'-P energy: -124.763
bonds (distance) P-C4' energy: -112.997
flat angles C4'-P-C4' energy: -135.117
flat angles P-C4'-P energy: -96.825
tors. eta vs tors. theta energy: -122.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1464.289307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.289307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.289307 (E_RNA)
where:
Base-Base interactions energy: -911.720
where: short stacking energy: -439.507
Base-Backbone interact. energy: -0.725
local terms energy: -551.845152
where:
bonds (distance) C4'-P energy: -121.045
bonds (distance) P-C4' energy: -120.971
flat angles C4'-P-C4' energy: -129.055
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -99.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1176.419149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.419149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.419149 (E_RNA)
where:
Base-Base interactions energy: -724.513
where: short stacking energy: -348.953
Base-Backbone interact. energy: 7.243
local terms energy: -459.148809
where:
bonds (distance) C4'-P energy: -128.736
bonds (distance) P-C4' energy: -122.283
flat angles C4'-P-C4' energy: -103.214
flat angles P-C4'-P energy: -57.434
tors. eta vs tors. theta energy: -47.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -928.470162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.470162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.470162 (E_RNA)
where:
Base-Base interactions energy: -484.311
where: short stacking energy: -253.888
Base-Backbone interact. energy: -0.655
local terms energy: -443.504339
where:
bonds (distance) C4'-P energy: -111.245
bonds (distance) P-C4' energy: -127.093
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -69.298
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2573.821873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.821873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.821873 (E_RNA)
where:
Base-Base interactions energy: -1782.629
where: short stacking energy: -742.803
Base-Backbone interact. energy: -2.364
local terms energy: -788.828816
where:
bonds (distance) C4'-P energy: -131.808
bonds (distance) P-C4' energy: -152.211
flat angles C4'-P-C4' energy: -169.702
flat angles P-C4'-P energy: -103.537
tors. eta vs tors. theta energy: -231.572
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: 421
Temperature: 0.950000
Total energy: -2480.562822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.562822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.562822 (E_RNA)
where:
Base-Base interactions energy: -1730.315
where: short stacking energy: -753.120
Base-Backbone interact. energy: -7.764
local terms energy: -742.484761
where:
bonds (distance) C4'-P energy: -144.843
bonds (distance) P-C4' energy: -129.265
flat angles C4'-P-C4' energy: -157.787
flat angles P-C4'-P energy: -100.873
tors. eta vs tors. theta energy: -209.717
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2394.290177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.290177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.290177 (E_RNA)
where:
Base-Base interactions energy: -1662.821
where: short stacking energy: -712.632
Base-Backbone interact. energy: 0.672
local terms energy: -732.141600
where:
bonds (distance) C4'-P energy: -135.057
bonds (distance) P-C4' energy: -131.301
flat angles C4'-P-C4' energy: -145.233
flat angles P-C4'-P energy: -110.852
tors. eta vs tors. theta energy: -209.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2269.792877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.792877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.792877 (E_RNA)
where:
Base-Base interactions energy: -1580.555
where: short stacking energy: -653.799
Base-Backbone interact. energy: -4.122
local terms energy: -685.116139
where:
bonds (distance) C4'-P energy: -129.370
bonds (distance) P-C4' energy: -120.563
flat angles C4'-P-C4' energy: -134.532
flat angles P-C4'-P energy: -110.483
tors. eta vs tors. theta energy: -190.168
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: 421
Temperature: 1.100000
Total energy: -2164.335492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.335492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.335492 (E_RNA)
where:
Base-Base interactions energy: -1501.510
where: short stacking energy: -621.467
Base-Backbone interact. energy: -2.714
local terms energy: -660.111724
where:
bonds (distance) C4'-P energy: -110.009
bonds (distance) P-C4' energy: -131.400
flat angles C4'-P-C4' energy: -150.713
flat angles P-C4'-P energy: -94.020
tors. eta vs tors. theta energy: -173.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2008.512874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.512874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.512874 (E_RNA)
where:
Base-Base interactions energy: -1400.299
where: short stacking energy: -599.594
Base-Backbone interact. energy: 3.317
local terms energy: -611.530623
where:
bonds (distance) C4'-P energy: -120.737
bonds (distance) P-C4' energy: -115.220
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -87.997
tors. eta vs tors. theta energy: -155.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1698.840264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.840264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.840264 (E_RNA)
where:
Base-Base interactions energy: -1144.985
where: short stacking energy: -509.354
Base-Backbone interact. energy: 1.096
local terms energy: -554.950473
where:
bonds (distance) C4'-P energy: -103.815
bonds (distance) P-C4' energy: -113.906
flat angles C4'-P-C4' energy: -130.112
flat angles P-C4'-P energy: -76.331
tors. eta vs tors. theta energy: -130.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1460.603301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.603301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.603301 (E_RNA)
where:
Base-Base interactions energy: -940.380
where: short stacking energy: -414.918
Base-Backbone interact. energy: -2.975
local terms energy: -517.248995
where:
bonds (distance) C4'-P energy: -108.544
bonds (distance) P-C4' energy: -113.595
flat angles C4'-P-C4' energy: -125.550
flat angles P-C4'-P energy: -85.087
tors. eta vs tors. theta energy: -84.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1196.299424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.299424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.299424 (E_RNA)
where:
Base-Base interactions energy: -732.798
where: short stacking energy: -341.648
Base-Backbone interact. energy: 5.634
local terms energy: -469.135939
where:
bonds (distance) C4'-P energy: -116.267
bonds (distance) P-C4' energy: -119.287
flat angles C4'-P-C4' energy: -93.831
flat angles P-C4'-P energy: -76.988
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: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -889.135837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.135837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.135837 (E_RNA)
where:
Base-Base interactions energy: -472.876
where: short stacking energy: -240.341
Base-Backbone interact. energy: -2.064
local terms energy: -414.195216
where:
bonds (distance) C4'-P energy: -99.511
bonds (distance) P-C4' energy: -124.737
flat angles C4'-P-C4' energy: -104.178
flat angles P-C4'-P energy: -64.823
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2588.873866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.873866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.873866 (E_RNA)
where:
Base-Base interactions energy: -1807.821
where: short stacking energy: -769.548
Base-Backbone interact. energy: -1.378
local terms energy: -779.675072
where:
bonds (distance) C4'-P energy: -125.692
bonds (distance) P-C4' energy: -141.721
flat angles C4'-P-C4' energy: -169.179
flat angles P-C4'-P energy: -110.164
tors. eta vs tors. theta energy: -232.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2513.344078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.344078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.344078 (E_RNA)
where:
Base-Base interactions energy: -1752.189
where: short stacking energy: -732.500
Base-Backbone interact. energy: -4.903
local terms energy: -756.251899
where:
bonds (distance) C4'-P energy: -133.490
bonds (distance) P-C4' energy: -145.206
flat angles C4'-P-C4' energy: -156.561
flat angles P-C4'-P energy: -102.664
tors. eta vs tors. theta energy: -218.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2426.435222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.435222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.435222 (E_RNA)
where:
Base-Base interactions energy: -1691.370
where: short stacking energy: -716.492
Base-Backbone interact. energy: -2.877
local terms energy: -732.188227
where:
bonds (distance) C4'-P energy: -122.785
bonds (distance) P-C4' energy: -133.444
flat angles C4'-P-C4' energy: -161.496
flat angles P-C4'-P energy: -100.972
tors. eta vs tors. theta energy: -213.492
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: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2292.587113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.587113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.587113 (E_RNA)
where:
Base-Base interactions energy: -1570.487
where: short stacking energy: -669.903
Base-Backbone interact. energy: -1.468
local terms energy: -720.631497
where:
bonds (distance) C4'-P energy: -134.612
bonds (distance) P-C4' energy: -133.991
flat angles C4'-P-C4' energy: -154.009
flat angles P-C4'-P energy: -101.251
tors. eta vs tors. theta energy: -196.769
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: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2181.963166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.963166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.963166 (E_RNA)
where:
Base-Base interactions energy: -1525.371
where: short stacking energy: -623.366
Base-Backbone interact. energy: -1.540
local terms energy: -655.052549
where:
bonds (distance) C4'-P energy: -140.936
bonds (distance) P-C4' energy: -118.464
flat angles C4'-P-C4' energy: -131.483
flat angles P-C4'-P energy: -86.080
tors. eta vs tors. theta energy: -178.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2024.097250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.097250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.097250 (E_RNA)
where:
Base-Base interactions energy: -1398.344
where: short stacking energy: -596.380
Base-Backbone interact. energy: 4.829
local terms energy: -630.581830
where:
bonds (distance) C4'-P energy: -99.364
bonds (distance) P-C4' energy: -140.072
flat angles C4'-P-C4' energy: -129.415
flat angles P-C4'-P energy: -100.975
tors. eta vs tors. theta energy: -160.756
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: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1708.331254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.331254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.331254 (E_RNA)
where:
Base-Base interactions energy: -1102.454
where: short stacking energy: -505.676
Base-Backbone interact. energy: -2.880
local terms energy: -602.997426
where:
bonds (distance) C4'-P energy: -103.993
bonds (distance) P-C4' energy: -125.599
flat angles C4'-P-C4' energy: -137.455
flat angles P-C4'-P energy: -103.769
tors. eta vs tors. theta energy: -132.180
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: 422
Temperature: 1.250000
Total energy: -1430.411493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.411493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.411493 (E_RNA)
where:
Base-Base interactions energy: -945.174
where: short stacking energy: -429.920
Base-Backbone interact. energy: 0.171
local terms energy: -485.408910
where:
bonds (distance) C4'-P energy: -103.513
bonds (distance) P-C4' energy: -99.529
flat angles C4'-P-C4' energy: -109.472
flat angles P-C4'-P energy: -84.865
tors. eta vs tors. theta energy: -88.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1252.130424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.130424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.130424 (E_RNA)
where:
Base-Base interactions energy: -778.991
where: short stacking energy: -383.757
Base-Backbone interact. energy: -0.924
local terms energy: -472.216007
where:
bonds (distance) C4'-P energy: -90.917
bonds (distance) P-C4' energy: -134.554
flat angles C4'-P-C4' energy: -102.269
flat angles P-C4'-P energy: -73.983
tors. eta vs tors. theta energy: -70.493
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: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -875.212269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.212269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.212269 (E_RNA)
where:
Base-Base interactions energy: -460.308
where: short stacking energy: -246.530
Base-Backbone interact. energy: 9.977
local terms energy: -424.881260
where:
bonds (distance) C4'-P energy: -112.058
bonds (distance) P-C4' energy: -117.540
flat angles C4'-P-C4' energy: -115.910
flat angles P-C4'-P energy: -57.771
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2631.076464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.076464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.076464 (E_RNA)
where:
Base-Base interactions energy: -1827.291
where: short stacking energy: -753.062
Base-Backbone interact. energy: -2.461
local terms energy: -801.324021
where:
bonds (distance) C4'-P energy: -144.792
bonds (distance) P-C4' energy: -135.700
flat angles C4'-P-C4' energy: -173.610
flat angles P-C4'-P energy: -122.368
tors. eta vs tors. theta energy: -224.854
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: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2528.277912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.277912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.277912 (E_RNA)
where:
Base-Base interactions energy: -1758.721
where: short stacking energy: -765.525
Base-Backbone interact. energy: 1.615
local terms energy: -771.171842
where:
bonds (distance) C4'-P energy: -136.133
bonds (distance) P-C4' energy: -144.513
flat angles C4'-P-C4' energy: -161.162
flat angles P-C4'-P energy: -102.945
tors. eta vs tors. theta energy: -226.418
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: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2456.959060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.959060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.959060 (E_RNA)
where:
Base-Base interactions energy: -1710.604
where: short stacking energy: -728.418
Base-Backbone interact. energy: -0.903
local terms energy: -745.452014
where:
bonds (distance) C4'-P energy: -131.340
bonds (distance) P-C4' energy: -139.128
flat angles C4'-P-C4' energy: -161.429
flat angles P-C4'-P energy: -94.395
tors. eta vs tors. theta energy: -219.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2292.953315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.953315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.953315 (E_RNA)
where:
Base-Base interactions energy: -1583.506
where: short stacking energy: -671.098
Base-Backbone interact. energy: -0.868
local terms energy: -708.579627
where:
bonds (distance) C4'-P energy: -127.430
bonds (distance) P-C4' energy: -141.214
flat angles C4'-P-C4' energy: -148.789
flat angles P-C4'-P energy: -98.141
tors. eta vs tors. theta energy: -193.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2069.608039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.608039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.608039 (E_RNA)
where:
Base-Base interactions energy: -1424.078
where: short stacking energy: -596.135
Base-Backbone interact. energy: -3.286
local terms energy: -642.244810
where:
bonds (distance) C4'-P energy: -123.096
bonds (distance) P-C4' energy: -126.900
flat angles C4'-P-C4' energy: -146.991
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -171.528
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: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2031.245627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.245627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.245627 (E_RNA)
where:
Base-Base interactions energy: -1401.081
where: short stacking energy: -585.164
Base-Backbone interact. energy: -3.044
local terms energy: -627.120666
where:
bonds (distance) C4'-P energy: -89.205
bonds (distance) P-C4' energy: -132.792
flat angles C4'-P-C4' energy: -150.789
flat angles P-C4'-P energy: -103.120
tors. eta vs tors. theta energy: -151.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1699.198555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.198555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.198555 (E_RNA)
where:
Base-Base interactions energy: -1142.535
where: short stacking energy: -502.013
Base-Backbone interact. energy: -5.418
local terms energy: -551.245999
where:
bonds (distance) C4'-P energy: -103.824
bonds (distance) P-C4' energy: -115.276
flat angles C4'-P-C4' energy: -141.103
flat angles P-C4'-P energy: -63.590
tors. eta vs tors. theta energy: -127.453
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: 423
Temperature: 1.250000
Total energy: -1462.418415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.418415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.418415 (E_RNA)
where:
Base-Base interactions energy: -928.877
where: short stacking energy: -449.918
Base-Backbone interact. energy: 4.114
local terms energy: -537.656044
where:
bonds (distance) C4'-P energy: -95.685
bonds (distance) P-C4' energy: -117.884
flat angles C4'-P-C4' energy: -134.256
flat angles P-C4'-P energy: -74.308
tors. eta vs tors. theta energy: -115.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1208.126295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.126295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.126295 (E_RNA)
where:
Base-Base interactions energy: -742.222
where: short stacking energy: -337.579
Base-Backbone interact. energy: -2.234
local terms energy: -463.669939
where:
bonds (distance) C4'-P energy: -120.762
bonds (distance) P-C4' energy: -116.437
flat angles C4'-P-C4' energy: -106.563
flat angles P-C4'-P energy: -71.822
tors. eta vs tors. theta energy: -48.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -912.534585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.534585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.534585 (E_RNA)
where:
Base-Base interactions energy: -515.575
where: short stacking energy: -283.782
Base-Backbone interact. energy: -0.154
local terms energy: -396.805389
where:
bonds (distance) C4'-P energy: -129.542
bonds (distance) P-C4' energy: -105.117
flat angles C4'-P-C4' energy: -105.682
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -17.616
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: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2581.042063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.042063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.042063 (E_RNA)
where:
Base-Base interactions energy: -1775.226
where: short stacking energy: -758.183
Base-Backbone interact. energy: -3.791
local terms energy: -802.025186
where:
bonds (distance) C4'-P energy: -145.512
bonds (distance) P-C4' energy: -144.173
flat angles C4'-P-C4' energy: -162.932
flat angles P-C4'-P energy: -111.437
tors. eta vs tors. theta energy: -237.971
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2539.623946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.623946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.623946 (E_RNA)
where:
Base-Base interactions energy: -1758.802
where: short stacking energy: -731.433
Base-Backbone interact. energy: -4.524
local terms energy: -776.297957
where:
bonds (distance) C4'-P energy: -149.577
bonds (distance) P-C4' energy: -140.324
flat angles C4'-P-C4' energy: -159.336
flat angles P-C4'-P energy: -108.815
tors. eta vs tors. theta energy: -218.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2413.305198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.305198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.305198 (E_RNA)
where:
Base-Base interactions energy: -1687.812
where: short stacking energy: -711.533
Base-Backbone interact. energy: -0.108
local terms energy: -725.385780
where:
bonds (distance) C4'-P energy: -143.765
bonds (distance) P-C4' energy: -146.973
flat angles C4'-P-C4' energy: -144.376
flat angles P-C4'-P energy: -89.634
tors. eta vs tors. theta energy: -200.637
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: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2331.816179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.816179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.816179 (E_RNA)
where:
Base-Base interactions energy: -1623.167
where: short stacking energy: -700.111
Base-Backbone interact. energy: -0.751
local terms energy: -707.898372
where:
bonds (distance) C4'-P energy: -134.777
bonds (distance) P-C4' energy: -116.762
flat angles C4'-P-C4' energy: -153.383
flat angles P-C4'-P energy: -99.619
tors. eta vs tors. theta energy: -203.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2094.639940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.639940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.639940 (E_RNA)
where:
Base-Base interactions energy: -1436.632
where: short stacking energy: -607.324
Base-Backbone interact. energy: -4.847
local terms energy: -653.160480
where:
bonds (distance) C4'-P energy: -120.122
bonds (distance) P-C4' energy: -133.496
flat angles C4'-P-C4' energy: -148.192
flat angles P-C4'-P energy: -85.439
tors. eta vs tors. theta energy: -165.911
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2030.485709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.485709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.485709 (E_RNA)
where:
Base-Base interactions energy: -1428.405
where: short stacking energy: -579.174
Base-Backbone interact. energy: 2.782
local terms energy: -604.862548
where:
bonds (distance) C4'-P energy: -115.298
bonds (distance) P-C4' energy: -118.876
flat angles C4'-P-C4' energy: -136.040
flat angles P-C4'-P energy: -77.235
tors. eta vs tors. theta energy: -157.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1760.587264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.587264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.587264 (E_RNA)
where:
Base-Base interactions energy: -1149.195
where: short stacking energy: -502.833
Base-Backbone interact. energy: -1.478
local terms energy: -609.914358
where:
bonds (distance) C4'-P energy: -131.612
bonds (distance) P-C4' energy: -118.028
flat angles C4'-P-C4' energy: -133.355
flat angles P-C4'-P energy: -94.032
tors. eta vs tors. theta energy: -132.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1444.329308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.329308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.329308 (E_RNA)
where:
Base-Base interactions energy: -927.732
where: short stacking energy: -412.854
Base-Backbone interact. energy: -2.502
local terms energy: -514.095085
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -116.074
flat angles C4'-P-C4' energy: -115.178
flat angles P-C4'-P energy: -81.711
tors. eta vs tors. theta energy: -89.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1203.635288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.635288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.635288 (E_RNA)
where:
Base-Base interactions energy: -737.584
where: short stacking energy: -318.273
Base-Backbone interact. energy: 1.662
local terms energy: -467.713707
where:
bonds (distance) C4'-P energy: -107.596
bonds (distance) P-C4' energy: -126.401
flat angles C4'-P-C4' energy: -112.178
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -46.815
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: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -886.319448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.319448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.319448 (E_RNA)
where:
Base-Base interactions energy: -487.689
where: short stacking energy: -268.450
Base-Backbone interact. energy: 5.601
local terms energy: -404.231457
where:
bonds (distance) C4'-P energy: -102.900
bonds (distance) P-C4' energy: -106.644
flat angles C4'-P-C4' energy: -114.270
flat angles P-C4'-P energy: -60.266
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2598.943878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.943878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.943878 (E_RNA)
where:
Base-Base interactions energy: -1810.849
where: short stacking energy: -771.831
Base-Backbone interact. energy: -3.069
local terms energy: -785.025328
where:
bonds (distance) C4'-P energy: -150.080
bonds (distance) P-C4' energy: -141.715
flat angles C4'-P-C4' energy: -166.220
flat angles P-C4'-P energy: -99.506
tors. eta vs tors. theta energy: -227.505
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: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2522.322855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.322855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.322855 (E_RNA)
where:
Base-Base interactions energy: -1752.780
where: short stacking energy: -757.328
Base-Backbone interact. energy: -0.165
local terms energy: -769.378162
where:
bonds (distance) C4'-P energy: -127.448
bonds (distance) P-C4' energy: -153.124
flat angles C4'-P-C4' energy: -169.519
flat angles P-C4'-P energy: -96.176
tors. eta vs tors. theta energy: -223.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2372.410569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.410569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.410569 (E_RNA)
where:
Base-Base interactions energy: -1662.331
where: short stacking energy: -708.494
Base-Backbone interact. energy: -4.159
local terms energy: -705.920110
where:
bonds (distance) C4'-P energy: -115.908
bonds (distance) P-C4' energy: -138.391
flat angles C4'-P-C4' energy: -152.400
flat angles P-C4'-P energy: -94.219
tors. eta vs tors. theta energy: -205.002
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: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2364.021366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.021366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.021366 (E_RNA)
where:
Base-Base interactions energy: -1632.797
where: short stacking energy: -682.804
Base-Backbone interact. energy: -4.382
local terms energy: -726.841886
where:
bonds (distance) C4'-P energy: -139.728
bonds (distance) P-C4' energy: -127.612
flat angles C4'-P-C4' energy: -157.957
flat angles P-C4'-P energy: -103.227
tors. eta vs tors. theta energy: -198.318
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: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2121.943926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.943926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.943926 (E_RNA)
where:
Base-Base interactions energy: -1455.263
where: short stacking energy: -613.016
Base-Backbone interact. energy: -3.454
local terms energy: -663.227220
where:
bonds (distance) C4'-P energy: -126.737
bonds (distance) P-C4' energy: -129.426
flat angles C4'-P-C4' energy: -143.457
flat angles P-C4'-P energy: -85.096
tors. eta vs tors. theta energy: -178.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2059.905590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.905590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.905590 (E_RNA)
where:
Base-Base interactions energy: -1415.875
where: short stacking energy: -578.499
Base-Backbone interact. energy: 1.745
local terms energy: -645.775114
where:
bonds (distance) C4'-P energy: -109.512
bonds (distance) P-C4' energy: -148.175
flat angles C4'-P-C4' energy: -129.304
flat angles P-C4'-P energy: -97.608
tors. eta vs tors. theta energy: -161.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1697.005747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.005747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.005747 (E_RNA)
where:
Base-Base interactions energy: -1124.925
where: short stacking energy: -477.338
Base-Backbone interact. energy: 1.526
local terms energy: -573.606887
where:
bonds (distance) C4'-P energy: -101.975
bonds (distance) P-C4' energy: -127.739
flat angles C4'-P-C4' energy: -136.331
flat angles P-C4'-P energy: -99.482
tors. eta vs tors. theta energy: -108.080
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: 425
Temperature: 1.250000
Total energy: -1450.933805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.933805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.933805 (E_RNA)
where:
Base-Base interactions energy: -945.317
where: short stacking energy: -443.580
Base-Backbone interact. energy: 0.295
local terms energy: -505.912004
where:
bonds (distance) C4'-P energy: -96.928
bonds (distance) P-C4' energy: -109.401
flat angles C4'-P-C4' energy: -121.637
flat angles P-C4'-P energy: -75.500
tors. eta vs tors. theta energy: -102.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1205.738361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.738361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.738361 (E_RNA)
where:
Base-Base interactions energy: -742.226
where: short stacking energy: -356.762
Base-Backbone interact. energy: -0.480
local terms energy: -463.031763
where:
bonds (distance) C4'-P energy: -105.008
bonds (distance) P-C4' energy: -118.114
flat angles C4'-P-C4' energy: -111.996
flat angles P-C4'-P energy: -74.897
tors. eta vs tors. theta energy: -53.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -891.332719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.332719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.332719 (E_RNA)
where:
Base-Base interactions energy: -496.311
where: short stacking energy: -239.173
Base-Backbone interact. energy: -2.136
local terms energy: -392.886134
where:
bonds (distance) C4'-P energy: -92.192
bonds (distance) P-C4' energy: -132.902
flat angles C4'-P-C4' energy: -111.506
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -12.599
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: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2577.287317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.287317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.287317 (E_RNA)
where:
Base-Base interactions energy: -1756.546
where: short stacking energy: -767.738
Base-Backbone interact. energy: -4.947
local terms energy: -815.793619
where:
bonds (distance) C4'-P energy: -137.040
bonds (distance) P-C4' energy: -164.268
flat angles C4'-P-C4' energy: -168.474
flat angles P-C4'-P energy: -106.802
tors. eta vs tors. theta energy: -239.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2488.206285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.206285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.206285 (E_RNA)
where:
Base-Base interactions energy: -1744.509
where: short stacking energy: -745.815
Base-Backbone interact. energy: -3.707
local terms energy: -739.990818
where:
bonds (distance) C4'-P energy: -126.161
bonds (distance) P-C4' energy: -134.152
flat angles C4'-P-C4' energy: -161.462
flat angles P-C4'-P energy: -107.263
tors. eta vs tors. theta energy: -210.953
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: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2399.873920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.873920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.873920 (E_RNA)
where:
Base-Base interactions energy: -1677.797
where: short stacking energy: -725.797
Base-Backbone interact. energy: -0.771
local terms energy: -721.306416
where:
bonds (distance) C4'-P energy: -140.147
bonds (distance) P-C4' energy: -125.419
flat angles C4'-P-C4' energy: -157.013
flat angles P-C4'-P energy: -101.102
tors. eta vs tors. theta energy: -197.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2309.090577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.090577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.090577 (E_RNA)
where:
Base-Base interactions energy: -1600.488
where: short stacking energy: -648.543
Base-Backbone interact. energy: -4.084
local terms energy: -704.518635
where:
bonds (distance) C4'-P energy: -127.763
bonds (distance) P-C4' energy: -136.489
flat angles C4'-P-C4' energy: -156.691
flat angles P-C4'-P energy: -96.898
tors. eta vs tors. theta energy: -186.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2104.953478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.953478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.953478 (E_RNA)
where:
Base-Base interactions energy: -1430.945
where: short stacking energy: -590.668
Base-Backbone interact. energy: -2.717
local terms energy: -671.291597
where:
bonds (distance) C4'-P energy: -139.285
bonds (distance) P-C4' energy: -131.616
flat angles C4'-P-C4' energy: -142.702
flat angles P-C4'-P energy: -89.343
tors. eta vs tors. theta energy: -168.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2020.896493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.896493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.896493 (E_RNA)
where:
Base-Base interactions energy: -1410.183
where: short stacking energy: -590.088
Base-Backbone interact. energy: -2.393
local terms energy: -608.320681
where:
bonds (distance) C4'-P energy: -102.798
bonds (distance) P-C4' energy: -124.929
flat angles C4'-P-C4' energy: -139.660
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -162.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1754.362826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.362826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.362826 (E_RNA)
where:
Base-Base interactions energy: -1178.570
where: short stacking energy: -510.047
Base-Backbone interact. energy: -4.578
local terms energy: -571.214098
where:
bonds (distance) C4'-P energy: -113.466
bonds (distance) P-C4' energy: -130.873
flat angles C4'-P-C4' energy: -119.847
flat angles P-C4'-P energy: -78.214
tors. eta vs tors. theta energy: -128.814
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: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1459.231591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.231591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.231591 (E_RNA)
where:
Base-Base interactions energy: -918.488
where: short stacking energy: -420.697
Base-Backbone interact. energy: -3.723
local terms energy: -537.020674
where:
bonds (distance) C4'-P energy: -114.224
bonds (distance) P-C4' energy: -118.131
flat angles C4'-P-C4' energy: -116.840
flat angles P-C4'-P energy: -86.998
tors. eta vs tors. theta energy: -100.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1249.914253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.914253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.914253 (E_RNA)
where:
Base-Base interactions energy: -756.742
where: short stacking energy: -352.232
Base-Backbone interact. energy: -2.832
local terms energy: -490.340247
where:
bonds (distance) C4'-P energy: -119.703
bonds (distance) P-C4' energy: -116.488
flat angles C4'-P-C4' energy: -112.777
flat angles P-C4'-P energy: -71.947
tors. eta vs tors. theta energy: -69.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -870.565890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.565890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.565890 (E_RNA)
where:
Base-Base interactions energy: -458.627
where: short stacking energy: -251.819
Base-Backbone interact. energy: -3.156
local terms energy: -408.782998
where:
bonds (distance) C4'-P energy: -87.951
bonds (distance) P-C4' energy: -136.038
flat angles C4'-P-C4' energy: -110.559
flat angles P-C4'-P energy: -64.580
tors. eta vs tors. theta energy: -9.656
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: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2600.870612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.870612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.870612 (E_RNA)
where:
Base-Base interactions energy: -1799.427
where: short stacking energy: -774.906
Base-Backbone interact. energy: -0.868
local terms energy: -800.575235
where:
bonds (distance) C4'-P energy: -144.245
bonds (distance) P-C4' energy: -149.611
flat angles C4'-P-C4' energy: -156.542
flat angles P-C4'-P energy: -116.181
tors. eta vs tors. theta energy: -233.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2453.849789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.849789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.849789 (E_RNA)
where:
Base-Base interactions energy: -1722.592
where: short stacking energy: -732.335
Base-Backbone interact. energy: 3.198
local terms energy: -734.455209
where:
bonds (distance) C4'-P energy: -134.302
bonds (distance) P-C4' energy: -138.396
flat angles C4'-P-C4' energy: -155.543
flat angles P-C4'-P energy: -96.571
tors. eta vs tors. theta energy: -209.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2466.025060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.025060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.025060 (E_RNA)
where:
Base-Base interactions energy: -1714.666
where: short stacking energy: -760.335
Base-Backbone interact. energy: -4.285
local terms energy: -747.074111
where:
bonds (distance) C4'-P energy: -138.412
bonds (distance) P-C4' energy: -128.640
flat angles C4'-P-C4' energy: -157.420
flat angles P-C4'-P energy: -104.153
tors. eta vs tors. theta energy: -218.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2336.622821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.622821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.622821 (E_RNA)
where:
Base-Base interactions energy: -1629.291
where: short stacking energy: -696.440
Base-Backbone interact. energy: -3.525
local terms energy: -703.806205
where:
bonds (distance) C4'-P energy: -129.973
bonds (distance) P-C4' energy: -127.331
flat angles C4'-P-C4' energy: -152.889
flat angles P-C4'-P energy: -102.521
tors. eta vs tors. theta energy: -191.093
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: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2145.823378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.823378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.823378 (E_RNA)
where:
Base-Base interactions energy: -1450.091
where: short stacking energy: -643.961
Base-Backbone interact. energy: -1.473
local terms energy: -694.259103
where:
bonds (distance) C4'-P energy: -128.332
bonds (distance) P-C4' energy: -127.983
flat angles C4'-P-C4' energy: -154.407
flat angles P-C4'-P energy: -99.694
tors. eta vs tors. theta energy: -183.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2037.508830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.508830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.508830 (E_RNA)
where:
Base-Base interactions energy: -1432.366
where: short stacking energy: -574.384
Base-Backbone interact. energy: -2.974
local terms energy: -602.168771
where:
bonds (distance) C4'-P energy: -109.766
bonds (distance) P-C4' energy: -126.039
flat angles C4'-P-C4' energy: -123.440
flat angles P-C4'-P energy: -82.605
tors. eta vs tors. theta energy: -160.318
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: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1751.403765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.403765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.403765 (E_RNA)
where:
Base-Base interactions energy: -1183.519
where: short stacking energy: -533.128
Base-Backbone interact. energy: -2.738
local terms energy: -565.147262
where:
bonds (distance) C4'-P energy: -107.481
bonds (distance) P-C4' energy: -121.080
flat angles C4'-P-C4' energy: -122.355
flat angles P-C4'-P energy: -88.487
tors. eta vs tors. theta energy: -125.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1409.624626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.624626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.624626 (E_RNA)
where:
Base-Base interactions energy: -892.329
where: short stacking energy: -410.805
Base-Backbone interact. energy: 1.884
local terms energy: -519.178963
where:
bonds (distance) C4'-P energy: -125.401
bonds (distance) P-C4' energy: -132.474
flat angles C4'-P-C4' energy: -113.236
flat angles P-C4'-P energy: -53.993
tors. eta vs tors. theta energy: -94.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1244.625041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.625041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.625041 (E_RNA)
where:
Base-Base interactions energy: -750.994
where: short stacking energy: -342.440
Base-Backbone interact. energy: -2.439
local terms energy: -491.192273
where:
bonds (distance) C4'-P energy: -99.190
bonds (distance) P-C4' energy: -114.191
flat angles C4'-P-C4' energy: -114.973
flat angles P-C4'-P energy: -76.224
tors. eta vs tors. theta energy: -86.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -855.723157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.723157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.723157 (E_RNA)
where:
Base-Base interactions energy: -451.679
where: short stacking energy: -237.560
Base-Backbone interact. energy: 0.212
local terms energy: -404.255716
where:
bonds (distance) C4'-P energy: -111.477
bonds (distance) P-C4' energy: -118.937
flat angles C4'-P-C4' energy: -121.445
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2581.873642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.873642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.873642 (E_RNA)
where:
Base-Base interactions energy: -1789.234
where: short stacking energy: -791.669
Base-Backbone interact. energy: -2.491
local terms energy: -790.148172
where:
bonds (distance) C4'-P energy: -141.155
bonds (distance) P-C4' energy: -141.334
flat angles C4'-P-C4' energy: -157.115
flat angles P-C4'-P energy: -113.770
tors. eta vs tors. theta energy: -236.774
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: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2486.630608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.630608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.630608 (E_RNA)
where:
Base-Base interactions energy: -1730.163
where: short stacking energy: -724.617
Base-Backbone interact. energy: -1.683
local terms energy: -754.784350
where:
bonds (distance) C4'-P energy: -143.506
bonds (distance) P-C4' energy: -142.478
flat angles C4'-P-C4' energy: -158.915
flat angles P-C4'-P energy: -98.336
tors. eta vs tors. theta energy: -211.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2448.639609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.639609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.639609 (E_RNA)
where:
Base-Base interactions energy: -1695.681
where: short stacking energy: -750.862
Base-Backbone interact. energy: -3.596
local terms energy: -749.362868
where:
bonds (distance) C4'-P energy: -147.457
bonds (distance) P-C4' energy: -132.714
flat angles C4'-P-C4' energy: -159.794
flat angles P-C4'-P energy: -88.231
tors. eta vs tors. theta energy: -221.167
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: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2329.430050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.430050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.430050 (E_RNA)
where:
Base-Base interactions energy: -1625.373
where: short stacking energy: -677.293
Base-Backbone interact. energy: -4.869
local terms energy: -699.188442
where:
bonds (distance) C4'-P energy: -119.871
bonds (distance) P-C4' energy: -131.968
flat angles C4'-P-C4' energy: -131.265
flat angles P-C4'-P energy: -104.279
tors. eta vs tors. theta energy: -211.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2160.742403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.742403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.742403 (E_RNA)
where:
Base-Base interactions energy: -1485.987
where: short stacking energy: -642.809
Base-Backbone interact. energy: -2.834
local terms energy: -671.921440
where:
bonds (distance) C4'-P energy: -122.733
bonds (distance) P-C4' energy: -134.617
flat angles C4'-P-C4' energy: -144.392
flat angles P-C4'-P energy: -89.299
tors. eta vs tors. theta energy: -180.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2015.738897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.738897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.738897 (E_RNA)
where:
Base-Base interactions energy: -1384.908
where: short stacking energy: -571.349
Base-Backbone interact. energy: -0.938
local terms energy: -629.893288
where:
bonds (distance) C4'-P energy: -112.794
bonds (distance) P-C4' energy: -122.766
flat angles C4'-P-C4' energy: -135.747
flat angles P-C4'-P energy: -95.818
tors. eta vs tors. theta energy: -162.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1783.878077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.878077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.878077 (E_RNA)
where:
Base-Base interactions energy: -1202.482
where: short stacking energy: -530.288
Base-Backbone interact. energy: -2.585
local terms energy: -578.811071
where:
bonds (distance) C4'-P energy: -127.120
bonds (distance) P-C4' energy: -114.686
flat angles C4'-P-C4' energy: -122.521
flat angles P-C4'-P energy: -79.791
tors. eta vs tors. theta energy: -134.693
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: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1383.735304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.735304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.735304 (E_RNA)
where:
Base-Base interactions energy: -884.729
where: short stacking energy: -426.752
Base-Backbone interact. energy: 0.910
local terms energy: -499.916943
where:
bonds (distance) C4'-P energy: -108.822
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -124.097
flat angles P-C4'-P energy: -64.041
tors. eta vs tors. theta energy: -90.102
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: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1249.883981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.883981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.883981 (E_RNA)
where:
Base-Base interactions energy: -787.020
where: short stacking energy: -379.174
Base-Backbone interact. energy: -0.448
local terms energy: -462.416220
where:
bonds (distance) C4'-P energy: -99.157
bonds (distance) P-C4' energy: -118.604
flat angles C4'-P-C4' energy: -129.846
flat angles P-C4'-P energy: -48.874
tors. eta vs tors. theta energy: -65.935
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: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -894.008802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.008802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.008802 (E_RNA)
where:
Base-Base interactions energy: -505.551
where: short stacking energy: -268.377
Base-Backbone interact. energy: -2.208
local terms energy: -386.250549
where:
bonds (distance) C4'-P energy: -113.237
bonds (distance) P-C4' energy: -93.741
flat angles C4'-P-C4' energy: -95.120
flat angles P-C4'-P energy: -64.278
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2591.292529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.292529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.292529 (E_RNA)
where:
Base-Base interactions energy: -1804.506
where: short stacking energy: -779.759
Base-Backbone interact. energy: -4.121
local terms energy: -782.665381
where:
bonds (distance) C4'-P energy: -128.203
bonds (distance) P-C4' energy: -134.751
flat angles C4'-P-C4' energy: -167.280
flat angles P-C4'-P energy: -113.950
tors. eta vs tors. theta energy: -238.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2493.071640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.071640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.071640 (E_RNA)
where:
Base-Base interactions energy: -1711.380
where: short stacking energy: -738.868
Base-Backbone interact. energy: -3.424
local terms energy: -778.267660
where:
bonds (distance) C4'-P energy: -136.100
bonds (distance) P-C4' energy: -144.788
flat angles C4'-P-C4' energy: -156.771
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -227.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2401.149434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.149434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.149434 (E_RNA)
where:
Base-Base interactions energy: -1708.583
where: short stacking energy: -737.969
Base-Backbone interact. energy: 1.686
local terms energy: -694.252490
where:
bonds (distance) C4'-P energy: -124.036
bonds (distance) P-C4' energy: -127.829
flat angles C4'-P-C4' energy: -148.751
flat angles P-C4'-P energy: -89.013
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: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2353.961603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.961603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.961603 (E_RNA)
where:
Base-Base interactions energy: -1640.426
where: short stacking energy: -727.142
Base-Backbone interact. energy: 0.874
local terms energy: -714.409425
where:
bonds (distance) C4'-P energy: -124.000
bonds (distance) P-C4' energy: -119.753
flat angles C4'-P-C4' energy: -154.558
flat angles P-C4'-P energy: -98.074
tors. eta vs tors. theta energy: -218.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2122.918648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.918648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.918648 (E_RNA)
where:
Base-Base interactions energy: -1442.931
where: short stacking energy: -652.286
Base-Backbone interact. energy: -2.123
local terms energy: -677.865006
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -132.268
flat angles C4'-P-C4' energy: -143.226
flat angles P-C4'-P energy: -89.604
tors. eta vs tors. theta energy: -181.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2021.052844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.052844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.052844 (E_RNA)
where:
Base-Base interactions energy: -1416.366
where: short stacking energy: -588.044
Base-Backbone interact. energy: 3.277
local terms energy: -607.963585
where:
bonds (distance) C4'-P energy: -116.818
bonds (distance) P-C4' energy: -117.122
flat angles C4'-P-C4' energy: -135.205
flat angles P-C4'-P energy: -68.090
tors. eta vs tors. theta energy: -170.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1745.653145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.653145 (E_RNA)
where:
Base-Base interactions energy: -1165.813
where: short stacking energy: -495.614
Base-Backbone interact. energy: -1.270
local terms energy: -578.570271
where:
bonds (distance) C4'-P energy: -116.885
bonds (distance) P-C4' energy: -122.903
flat angles C4'-P-C4' energy: -135.919
flat angles P-C4'-P energy: -72.312
tors. eta vs tors. theta energy: -130.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1343.923395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.923395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.923395 (E_RNA)
where:
Base-Base interactions energy: -900.772
where: short stacking energy: -390.856
Base-Backbone interact. energy: -1.811
local terms energy: -441.340508
where:
bonds (distance) C4'-P energy: -100.892
bonds (distance) P-C4' energy: -90.119
flat angles C4'-P-C4' energy: -103.891
flat angles P-C4'-P energy: -76.946
tors. eta vs tors. theta energy: -69.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1178.259859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.259859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.259859 (E_RNA)
where:
Base-Base interactions energy: -698.644
where: short stacking energy: -337.520
Base-Backbone interact. energy: 2.472
local terms energy: -482.088504
where:
bonds (distance) C4'-P energy: -116.553
bonds (distance) P-C4' energy: -133.364
flat angles C4'-P-C4' energy: -110.737
flat angles P-C4'-P energy: -67.714
tors. eta vs tors. theta energy: -53.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -851.552056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.552056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.552056 (E_RNA)
where:
Base-Base interactions energy: -451.451
where: short stacking energy: -247.410
Base-Backbone interact. energy: 5.866
local terms energy: -405.967044
where:
bonds (distance) C4'-P energy: -119.216
bonds (distance) P-C4' energy: -111.438
flat angles C4'-P-C4' energy: -100.542
flat angles P-C4'-P energy: -64.649
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2575.821393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.821393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.821393 (E_RNA)
where:
Base-Base interactions energy: -1792.130
where: short stacking energy: -755.659
Base-Backbone interact. energy: -7.785
local terms energy: -775.906463
where:
bonds (distance) C4'-P energy: -133.064
bonds (distance) P-C4' energy: -142.854
flat angles C4'-P-C4' energy: -160.135
flat angles P-C4'-P energy: -119.807
tors. eta vs tors. theta energy: -220.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2458.616408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.616408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.616408 (E_RNA)
where:
Base-Base interactions energy: -1695.334
where: short stacking energy: -726.219
Base-Backbone interact. energy: -3.322
local terms energy: -759.960467
where:
bonds (distance) C4'-P energy: -136.663
bonds (distance) P-C4' energy: -139.925
flat angles C4'-P-C4' energy: -147.756
flat angles P-C4'-P energy: -117.057
tors. eta vs tors. theta energy: -218.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2395.001756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.001756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.001756 (E_RNA)
where:
Base-Base interactions energy: -1667.291
where: short stacking energy: -702.755
Base-Backbone interact. energy: -0.459
local terms energy: -727.251434
where:
bonds (distance) C4'-P energy: -131.638
bonds (distance) P-C4' energy: -125.026
flat angles C4'-P-C4' energy: -158.011
flat angles P-C4'-P energy: -93.587
tors. eta vs tors. theta energy: -218.989
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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2303.577659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.577659 (E_RNA)
where:
Base-Base interactions energy: -1589.093
where: short stacking energy: -685.157
Base-Backbone interact. energy: 1.531
local terms energy: -716.015820
where:
bonds (distance) C4'-P energy: -132.679
bonds (distance) P-C4' energy: -129.669
flat angles C4'-P-C4' energy: -152.582
flat angles P-C4'-P energy: -92.271
tors. eta vs tors. theta energy: -208.816
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: 430
Temperature: 1.100000
Total energy: -2158.027699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.027699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.027699 (E_RNA)
where:
Base-Base interactions energy: -1475.177
where: short stacking energy: -618.728
Base-Backbone interact. energy: -2.510
local terms energy: -680.339928
where:
bonds (distance) C4'-P energy: -121.432
bonds (distance) P-C4' energy: -138.556
flat angles C4'-P-C4' energy: -152.624
flat angles P-C4'-P energy: -93.235
tors. eta vs tors. theta energy: -174.493
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2075.014452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.014452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.014452 (E_RNA)
where:
Base-Base interactions energy: -1451.999
where: short stacking energy: -591.399
Base-Backbone interact. energy: -0.499
local terms energy: -622.516367
where:
bonds (distance) C4'-P energy: -111.047
bonds (distance) P-C4' energy: -124.310
flat angles C4'-P-C4' energy: -137.628
flat angles P-C4'-P energy: -88.786
tors. eta vs tors. theta energy: -160.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1643.252323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.252323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.252323 (E_RNA)
where:
Base-Base interactions energy: -1061.612
where: short stacking energy: -473.833
Base-Backbone interact. energy: -2.486
local terms energy: -579.154177
where:
bonds (distance) C4'-P energy: -124.741
bonds (distance) P-C4' energy: -127.124
flat angles C4'-P-C4' energy: -135.003
flat angles P-C4'-P energy: -91.876
tors. eta vs tors. theta energy: -100.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1435.779134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.779134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.779134 (E_RNA)
where:
Base-Base interactions energy: -928.338
where: short stacking energy: -455.189
Base-Backbone interact. energy: 3.115
local terms energy: -510.555802
where:
bonds (distance) C4'-P energy: -116.102
bonds (distance) P-C4' energy: -110.208
flat angles C4'-P-C4' energy: -124.201
flat angles P-C4'-P energy: -62.366
tors. eta vs tors. theta energy: -97.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1150.622757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.622757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.622757 (E_RNA)
where:
Base-Base interactions energy: -713.256
where: short stacking energy: -341.964
Base-Backbone interact. energy: 4.224
local terms energy: -441.590234
where:
bonds (distance) C4'-P energy: -114.635
bonds (distance) P-C4' energy: -121.309
flat angles C4'-P-C4' energy: -107.475
flat angles P-C4'-P energy: -55.835
tors. eta vs tors. theta energy: -42.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -904.935270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.935270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.935270 (E_RNA)
where:
Base-Base interactions energy: -488.999
where: short stacking energy: -263.823
Base-Backbone interact. energy: 6.662
local terms energy: -422.598154
where:
bonds (distance) C4'-P energy: -121.756
bonds (distance) P-C4' energy: -109.586
flat angles C4'-P-C4' energy: -116.084
flat angles P-C4'-P energy: -63.520
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2593.740194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.740194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.740194 (E_RNA)
where:
Base-Base interactions energy: -1807.796
where: short stacking energy: -787.746
Base-Backbone interact. energy: -1.307
local terms energy: -784.638092
where:
bonds (distance) C4'-P energy: -142.901
bonds (distance) P-C4' energy: -142.825
flat angles C4'-P-C4' energy: -164.850
flat angles P-C4'-P energy: -97.455
tors. eta vs tors. theta energy: -236.607
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: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2473.468267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.468267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.468267 (E_RNA)
where:
Base-Base interactions energy: -1694.301
where: short stacking energy: -730.623
Base-Backbone interact. energy: -6.228
local terms energy: -772.939252
where:
bonds (distance) C4'-P energy: -139.218
bonds (distance) P-C4' energy: -130.092
flat angles C4'-P-C4' energy: -163.827
flat angles P-C4'-P energy: -113.811
tors. eta vs tors. theta energy: -225.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2384.215673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.215673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.215673 (E_RNA)
where:
Base-Base interactions energy: -1662.222
where: short stacking energy: -712.479
Base-Backbone interact. energy: 0.313
local terms energy: -722.306154
where:
bonds (distance) C4'-P energy: -131.876
bonds (distance) P-C4' energy: -134.921
flat angles C4'-P-C4' energy: -157.715
flat angles P-C4'-P energy: -92.400
tors. eta vs tors. theta energy: -205.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2286.114956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.114956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.114956 (E_RNA)
where:
Base-Base interactions energy: -1569.226
where: short stacking energy: -662.009
Base-Backbone interact. energy: -3.095
local terms energy: -713.794131
where:
bonds (distance) C4'-P energy: -123.410
bonds (distance) P-C4' energy: -128.401
flat angles C4'-P-C4' energy: -164.455
flat angles P-C4'-P energy: -107.965
tors. eta vs tors. theta energy: -189.563
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: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2177.565899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.565899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.565899 (E_RNA)
where:
Base-Base interactions energy: -1489.827
where: short stacking energy: -638.620
Base-Backbone interact. energy: 0.877
local terms energy: -688.615524
where:
bonds (distance) C4'-P energy: -133.670
bonds (distance) P-C4' energy: -139.113
flat angles C4'-P-C4' energy: -126.017
flat angles P-C4'-P energy: -101.948
tors. eta vs tors. theta energy: -187.868
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2025.249660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.249660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.249660 (E_RNA)
where:
Base-Base interactions energy: -1358.451
where: short stacking energy: -585.323
Base-Backbone interact. energy: -1.889
local terms energy: -664.910194
where:
bonds (distance) C4'-P energy: -138.421
bonds (distance) P-C4' energy: -150.948
flat angles C4'-P-C4' energy: -133.635
flat angles P-C4'-P energy: -86.193
tors. eta vs tors. theta energy: -155.712
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: -1680.552655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.552655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.552655 (E_RNA)
where:
Base-Base interactions energy: -1118.461
where: short stacking energy: -486.152
Base-Backbone interact. energy: -4.351
local terms energy: -557.741169
where:
bonds (distance) C4'-P energy: -117.223
bonds (distance) P-C4' energy: -119.062
flat angles C4'-P-C4' energy: -129.208
flat angles P-C4'-P energy: -71.777
tors. eta vs tors. theta energy: -120.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1433.009245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.009245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.009245 (E_RNA)
where:
Base-Base interactions energy: -921.232
where: short stacking energy: -453.431
Base-Backbone interact. energy: -0.241
local terms energy: -511.535601
where:
bonds (distance) C4'-P energy: -115.432
bonds (distance) P-C4' energy: -108.864
flat angles C4'-P-C4' energy: -114.986
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -90.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1157.456470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.456470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.456470 (E_RNA)
where:
Base-Base interactions energy: -662.782
where: short stacking energy: -332.698
Base-Backbone interact. energy: -4.806
local terms energy: -489.868741
where:
bonds (distance) C4'-P energy: -130.098
bonds (distance) P-C4' energy: -112.588
flat angles C4'-P-C4' energy: -117.773
flat angles P-C4'-P energy: -72.824
tors. eta vs tors. theta energy: -56.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -869.152746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.152746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.152746 (E_RNA)
where:
Base-Base interactions energy: -485.025
where: short stacking energy: -235.098
Base-Backbone interact. energy: 0.487
local terms energy: -384.614660
where:
bonds (distance) C4'-P energy: -104.573
bonds (distance) P-C4' energy: -121.207
flat angles C4'-P-C4' energy: -101.499
flat angles P-C4'-P energy: -53.131
tors. eta vs tors. theta energy: -4.205
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: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2567.200427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.200427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.200427 (E_RNA)
where:
Base-Base interactions energy: -1791.959
where: short stacking energy: -749.997
Base-Backbone interact. energy: -5.339
local terms energy: -769.902096
where:
bonds (distance) C4'-P energy: -125.747
bonds (distance) P-C4' energy: -146.977
flat angles C4'-P-C4' energy: -163.858
flat angles P-C4'-P energy: -111.915
tors. eta vs tors. theta energy: -221.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2553.184904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.184904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.184904 (E_RNA)
where:
Base-Base interactions energy: -1765.993
where: short stacking energy: -770.567
Base-Backbone interact. energy: -4.875
local terms energy: -782.316756
where:
bonds (distance) C4'-P energy: -139.513
bonds (distance) P-C4' energy: -132.795
flat angles C4'-P-C4' energy: -170.924
flat angles P-C4'-P energy: -118.791
tors. eta vs tors. theta energy: -220.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2376.194880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.194880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.194880 (E_RNA)
where:
Base-Base interactions energy: -1652.141
where: short stacking energy: -683.424
Base-Backbone interact. energy: -4.232
local terms energy: -719.821951
where:
bonds (distance) C4'-P energy: -132.477
bonds (distance) P-C4' energy: -134.585
flat angles C4'-P-C4' energy: -148.334
flat angles P-C4'-P energy: -113.706
tors. eta vs tors. theta energy: -190.721
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: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2300.786550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.786550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.786550 (E_RNA)
where:
Base-Base interactions energy: -1593.033
where: short stacking energy: -692.841
Base-Backbone interact. energy: 1.643
local terms energy: -709.396015
where:
bonds (distance) C4'-P energy: -121.867
bonds (distance) P-C4' energy: -119.524
flat angles C4'-P-C4' energy: -151.423
flat angles P-C4'-P energy: -109.611
tors. eta vs tors. theta energy: -206.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2175.801974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.801974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.801974 (E_RNA)
where:
Base-Base interactions energy: -1507.100
where: short stacking energy: -645.522
Base-Backbone interact. energy: -2.417
local terms energy: -666.284779
where:
bonds (distance) C4'-P energy: -116.414
bonds (distance) P-C4' energy: -116.606
flat angles C4'-P-C4' energy: -148.854
flat angles P-C4'-P energy: -89.060
tors. eta vs tors. theta energy: -195.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2075.515851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.515851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.515851 (E_RNA)
where:
Base-Base interactions energy: -1447.305
where: short stacking energy: -597.109
Base-Backbone interact. energy: -2.519
local terms energy: -625.691316
where:
bonds (distance) C4'-P energy: -106.081
bonds (distance) P-C4' energy: -127.644
flat angles C4'-P-C4' energy: -132.026
flat angles P-C4'-P energy: -90.792
tors. eta vs tors. theta energy: -169.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1619.270850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.270850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.270850 (E_RNA)
where:
Base-Base interactions energy: -1077.869
where: short stacking energy: -466.492
Base-Backbone interact. energy: -2.420
local terms energy: -538.981835
where:
bonds (distance) C4'-P energy: -117.195
bonds (distance) P-C4' energy: -115.599
flat angles C4'-P-C4' energy: -114.054
flat angles P-C4'-P energy: -83.485
tors. eta vs tors. theta energy: -108.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1420.719177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.719177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.719177 (E_RNA)
where:
Base-Base interactions energy: -890.194
where: short stacking energy: -434.711
Base-Backbone interact. energy: -1.217
local terms energy: -529.308102
where:
bonds (distance) C4'-P energy: -113.307
bonds (distance) P-C4' energy: -122.576
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -80.387
tors. eta vs tors. theta energy: -95.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1147.198976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.198976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.198976 (E_RNA)
where:
Base-Base interactions energy: -692.884
where: short stacking energy: -336.917
Base-Backbone interact. energy: -2.201
local terms energy: -452.113970
where:
bonds (distance) C4'-P energy: -113.434
bonds (distance) P-C4' energy: -117.507
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -66.495
tors. eta vs tors. theta energy: -38.955
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: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -891.663108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.663108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.663108 (E_RNA)
where:
Base-Base interactions energy: -484.821
where: short stacking energy: -243.961
Base-Backbone interact. energy: 3.800
local terms energy: -410.642643
where:
bonds (distance) C4'-P energy: -132.486
bonds (distance) P-C4' energy: -125.940
flat angles C4'-P-C4' energy: -92.349
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2610.155404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.155404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.155404 (E_RNA)
where:
Base-Base interactions energy: -1826.115
where: short stacking energy: -791.062
Base-Backbone interact. energy: -3.875
local terms energy: -780.165707
where:
bonds (distance) C4'-P energy: -124.241
bonds (distance) P-C4' energy: -134.529
flat angles C4'-P-C4' energy: -165.304
flat angles P-C4'-P energy: -117.227
tors. eta vs tors. theta energy: -238.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2497.681524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.681524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.681524 (E_RNA)
where:
Base-Base interactions energy: -1710.167
where: short stacking energy: -748.725
Base-Backbone interact. energy: -3.150
local terms energy: -784.364300
where:
bonds (distance) C4'-P energy: -138.560
bonds (distance) P-C4' energy: -139.921
flat angles C4'-P-C4' energy: -160.762
flat angles P-C4'-P energy: -117.561
tors. eta vs tors. theta energy: -227.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2389.039968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.039968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.039968 (E_RNA)
where:
Base-Base interactions energy: -1675.104
where: short stacking energy: -690.261
Base-Backbone interact. energy: -0.561
local terms energy: -713.375447
where:
bonds (distance) C4'-P energy: -123.741
bonds (distance) P-C4' energy: -142.037
flat angles C4'-P-C4' energy: -161.655
flat angles P-C4'-P energy: -92.424
tors. eta vs tors. theta energy: -193.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2296.061263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.061263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.061263 (E_RNA)
where:
Base-Base interactions energy: -1561.933
where: short stacking energy: -667.817
Base-Backbone interact. energy: -3.190
local terms energy: -730.938719
where:
bonds (distance) C4'-P energy: -134.183
bonds (distance) P-C4' energy: -131.119
flat angles C4'-P-C4' energy: -153.038
flat angles P-C4'-P energy: -103.712
tors. eta vs tors. theta energy: -208.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2215.889411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.889411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.889411 (E_RNA)
where:
Base-Base interactions energy: -1551.474
where: short stacking energy: -663.324
Base-Backbone interact. energy: -2.688
local terms energy: -661.728223
where:
bonds (distance) C4'-P energy: -130.870
bonds (distance) P-C4' energy: -108.312
flat angles C4'-P-C4' energy: -138.119
flat angles P-C4'-P energy: -92.174
tors. eta vs tors. theta energy: -192.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2035.658320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.658320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.658320 (E_RNA)
where:
Base-Base interactions energy: -1392.596
where: short stacking energy: -566.787
Base-Backbone interact. energy: -0.996
local terms energy: -642.066388
where:
bonds (distance) C4'-P energy: -135.156
bonds (distance) P-C4' energy: -119.748
flat angles C4'-P-C4' energy: -146.342
flat angles P-C4'-P energy: -97.087
tors. eta vs tors. theta energy: -143.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1629.588158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.588158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.588158 (E_RNA)
where:
Base-Base interactions energy: -1053.497
where: short stacking energy: -500.792
Base-Backbone interact. energy: -2.046
local terms energy: -574.044857
where:
bonds (distance) C4'-P energy: -112.288
bonds (distance) P-C4' energy: -133.212
flat angles C4'-P-C4' energy: -129.971
flat angles P-C4'-P energy: -80.079
tors. eta vs tors. theta energy: -118.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1429.282269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.282269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.282269 (E_RNA)
where:
Base-Base interactions energy: -915.356
where: short stacking energy: -424.834
Base-Backbone interact. energy: -0.510
local terms energy: -513.416327
where:
bonds (distance) C4'-P energy: -81.356
bonds (distance) P-C4' energy: -114.465
flat angles C4'-P-C4' energy: -135.118
flat angles P-C4'-P energy: -81.398
tors. eta vs tors. theta energy: -101.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1260.242720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.242720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.242720 (E_RNA)
where:
Base-Base interactions energy: -784.901
where: short stacking energy: -349.956
Base-Backbone interact. energy: 2.239
local terms energy: -477.580731
where:
bonds (distance) C4'-P energy: -123.110
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -101.917
flat angles P-C4'-P energy: -80.132
tors. eta vs tors. theta energy: -57.835
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: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -896.633780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.633780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.633780 (E_RNA)
where:
Base-Base interactions energy: -503.842
where: short stacking energy: -264.698
Base-Backbone interact. energy: 2.072
local terms energy: -394.863674
where:
bonds (distance) C4'-P energy: -100.607
bonds (distance) P-C4' energy: -132.495
flat angles C4'-P-C4' energy: -97.952
flat angles P-C4'-P energy: -54.990
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2591.884819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.884819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.884819 (E_RNA)
where:
Base-Base interactions energy: -1800.075
where: short stacking energy: -769.824
Base-Backbone interact. energy: -7.469
local terms energy: -784.340926
where:
bonds (distance) C4'-P energy: -142.103
bonds (distance) P-C4' energy: -138.289
flat angles C4'-P-C4' energy: -163.741
flat angles P-C4'-P energy: -102.641
tors. eta vs tors. theta energy: -237.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2500.136032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.136032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.136032 (E_RNA)
where:
Base-Base interactions energy: -1749.559
where: short stacking energy: -731.083
Base-Backbone interact. energy: -4.737
local terms energy: -745.839885
where:
bonds (distance) C4'-P energy: -136.209
bonds (distance) P-C4' energy: -129.493
flat angles C4'-P-C4' energy: -173.138
flat angles P-C4'-P energy: -107.172
tors. eta vs tors. theta energy: -199.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2405.051807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.051807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.051807 (E_RNA)
where:
Base-Base interactions energy: -1693.660
where: short stacking energy: -706.256
Base-Backbone interact. energy: -1.245
local terms energy: -710.146648
where:
bonds (distance) C4'-P energy: -123.490
bonds (distance) P-C4' energy: -137.196
flat angles C4'-P-C4' energy: -155.649
flat angles P-C4'-P energy: -93.809
tors. eta vs tors. theta energy: -200.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2288.592829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.592829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.592829 (E_RNA)
where:
Base-Base interactions energy: -1623.839
where: short stacking energy: -679.430
Base-Backbone interact. energy: 1.859
local terms energy: -666.613406
where:
bonds (distance) C4'-P energy: -114.371
bonds (distance) P-C4' energy: -127.087
flat angles C4'-P-C4' energy: -154.898
flat angles P-C4'-P energy: -85.233
tors. eta vs tors. theta energy: -185.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2183.157031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.157031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.157031 (E_RNA)
where:
Base-Base interactions energy: -1502.176
where: short stacking energy: -643.580
Base-Backbone interact. energy: 2.036
local terms energy: -683.017301
where:
bonds (distance) C4'-P energy: -131.951
bonds (distance) P-C4' energy: -128.164
flat angles C4'-P-C4' energy: -137.253
flat angles P-C4'-P energy: -93.614
tors. eta vs tors. theta energy: -192.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2035.785698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.785698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.785698 (E_RNA)
where:
Base-Base interactions energy: -1436.817
where: short stacking energy: -587.723
Base-Backbone interact. energy: -1.091
local terms energy: -597.877620
where:
bonds (distance) C4'-P energy: -109.327
bonds (distance) P-C4' energy: -132.155
flat angles C4'-P-C4' energy: -136.221
flat angles P-C4'-P energy: -75.888
tors. eta vs tors. theta energy: -144.285
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: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1672.124613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.124613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.124613 (E_RNA)
where:
Base-Base interactions energy: -1102.817
where: short stacking energy: -485.881
Base-Backbone interact. energy: -2.518
local terms energy: -566.789053
where:
bonds (distance) C4'-P energy: -110.143
bonds (distance) P-C4' energy: -140.436
flat angles C4'-P-C4' energy: -125.409
flat angles P-C4'-P energy: -93.520
tors. eta vs tors. theta energy: -97.280
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: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1416.374042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.374042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.374042 (E_RNA)
where:
Base-Base interactions energy: -882.605
where: short stacking energy: -426.672
Base-Backbone interact. energy: -0.909
local terms energy: -532.859297
where:
bonds (distance) C4'-P energy: -126.374
bonds (distance) P-C4' energy: -128.376
flat angles C4'-P-C4' energy: -115.728
flat angles P-C4'-P energy: -65.544
tors. eta vs tors. theta energy: -96.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1254.409612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.409612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.409612 (E_RNA)
where:
Base-Base interactions energy: -796.673
where: short stacking energy: -383.141
Base-Backbone interact. energy: 0.260
local terms energy: -457.997026
where:
bonds (distance) C4'-P energy: -92.819
bonds (distance) P-C4' energy: -124.278
flat angles C4'-P-C4' energy: -117.799
flat angles P-C4'-P energy: -70.310
tors. eta vs tors. theta energy: -52.792
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: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -882.986084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.986084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.986084 (E_RNA)
where:
Base-Base interactions energy: -482.404
where: short stacking energy: -234.875
Base-Backbone interact. energy: 4.846
local terms energy: -405.428040
where:
bonds (distance) C4'-P energy: -110.090
bonds (distance) P-C4' energy: -129.675
flat angles C4'-P-C4' energy: -96.492
flat angles P-C4'-P energy: -63.345
tors. eta vs tors. theta energy: -5.825
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: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2587.992902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.992902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.992902 (E_RNA)
where:
Base-Base interactions energy: -1784.755
where: short stacking energy: -774.830
Base-Backbone interact. energy: -5.892
local terms energy: -797.345202
where:
bonds (distance) C4'-P energy: -145.995
bonds (distance) P-C4' energy: -140.091
flat angles C4'-P-C4' energy: -170.380
flat angles P-C4'-P energy: -103.132
tors. eta vs tors. theta energy: -237.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2450.112298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.112298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.112298 (E_RNA)
where:
Base-Base interactions energy: -1681.474
where: short stacking energy: -703.128
Base-Backbone interact. energy: -2.731
local terms energy: -765.907639
where:
bonds (distance) C4'-P energy: -139.450
bonds (distance) P-C4' energy: -137.657
flat angles C4'-P-C4' energy: -160.756
flat angles P-C4'-P energy: -100.666
tors. eta vs tors. theta energy: -227.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2406.237925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.237925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.237925 (E_RNA)
where:
Base-Base interactions energy: -1670.303
where: short stacking energy: -695.036
Base-Backbone interact. energy: -1.970
local terms energy: -733.964570
where:
bonds (distance) C4'-P energy: -130.730
bonds (distance) P-C4' energy: -138.178
flat angles C4'-P-C4' energy: -147.318
flat angles P-C4'-P energy: -109.608
tors. eta vs tors. theta energy: -208.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2266.832339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.832339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.832339 (E_RNA)
where:
Base-Base interactions energy: -1564.702
where: short stacking energy: -646.722
Base-Backbone interact. energy: -4.816
local terms energy: -697.314228
where:
bonds (distance) C4'-P energy: -136.020
bonds (distance) P-C4' energy: -142.974
flat angles C4'-P-C4' energy: -144.070
flat angles P-C4'-P energy: -79.382
tors. eta vs tors. theta energy: -194.869
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: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2196.425234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.425234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.425234 (E_RNA)
where:
Base-Base interactions energy: -1479.009
where: short stacking energy: -651.312
Base-Backbone interact. energy: -2.064
local terms energy: -715.352206
where:
bonds (distance) C4'-P energy: -141.855
bonds (distance) P-C4' energy: -130.955
flat angles C4'-P-C4' energy: -142.395
flat angles P-C4'-P energy: -102.366
tors. eta vs tors. theta energy: -197.781
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: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2066.137362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.137362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.137362 (E_RNA)
where:
Base-Base interactions energy: -1431.621
where: short stacking energy: -603.666
Base-Backbone interact. energy: 1.805
local terms energy: -636.321292
where:
bonds (distance) C4'-P energy: -116.531
bonds (distance) P-C4' energy: -122.170
flat angles C4'-P-C4' energy: -131.753
flat angles P-C4'-P energy: -99.282
tors. eta vs tors. theta energy: -166.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1705.222862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.222862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.222862 (E_RNA)
where:
Base-Base interactions energy: -1112.585
where: short stacking energy: -485.208
Base-Backbone interact. energy: 0.005
local terms energy: -592.642080
where:
bonds (distance) C4'-P energy: -124.005
bonds (distance) P-C4' energy: -126.805
flat angles C4'-P-C4' energy: -108.762
flat angles P-C4'-P energy: -101.608
tors. eta vs tors. theta energy: -131.461
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: 435
Temperature: 1.250000
Total energy: -1434.156529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.156529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.156529 (E_RNA)
where:
Base-Base interactions energy: -919.949
where: short stacking energy: -440.518
Base-Backbone interact. energy: 3.015
local terms energy: -517.223377
where:
bonds (distance) C4'-P energy: -113.485
bonds (distance) P-C4' energy: -123.961
flat angles C4'-P-C4' energy: -123.984
flat angles P-C4'-P energy: -73.629
tors. eta vs tors. theta energy: -82.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1209.071079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.071079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.071079 (E_RNA)
where:
Base-Base interactions energy: -744.632
where: short stacking energy: -354.333
Base-Backbone interact. energy: 3.518
local terms energy: -467.957090
where:
bonds (distance) C4'-P energy: -121.114
bonds (distance) P-C4' energy: -120.230
flat angles C4'-P-C4' energy: -113.199
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -52.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -786.610273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.610273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.610273 (E_RNA)
where:
Base-Base interactions energy: -414.433
where: short stacking energy: -226.926
Base-Backbone interact. energy: -5.508
local terms energy: -366.669283
where:
bonds (distance) C4'-P energy: -121.971
bonds (distance) P-C4' energy: -110.920
flat angles C4'-P-C4' energy: -93.209
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: 7.622
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: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2593.914502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.914502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.914502 (E_RNA)
where:
Base-Base interactions energy: -1794.556
where: short stacking energy: -765.466
Base-Backbone interact. energy: -3.493
local terms energy: -795.865057
where:
bonds (distance) C4'-P energy: -139.763
bonds (distance) P-C4' energy: -141.479
flat angles C4'-P-C4' energy: -160.324
flat angles P-C4'-P energy: -116.239
tors. eta vs tors. theta energy: -238.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2468.979780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.979780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.979780 (E_RNA)
where:
Base-Base interactions energy: -1716.631
where: short stacking energy: -730.158
Base-Backbone interact. energy: -1.215
local terms energy: -751.133814
where:
bonds (distance) C4'-P energy: -137.800
bonds (distance) P-C4' energy: -141.134
flat angles C4'-P-C4' energy: -149.811
flat angles P-C4'-P energy: -103.862
tors. eta vs tors. theta energy: -218.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2399.537929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.537929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.537929 (E_RNA)
where:
Base-Base interactions energy: -1680.279
where: short stacking energy: -702.070
Base-Backbone interact. energy: -2.082
local terms energy: -717.177397
where:
bonds (distance) C4'-P energy: -129.806
bonds (distance) P-C4' energy: -142.005
flat angles C4'-P-C4' energy: -153.854
flat angles P-C4'-P energy: -90.687
tors. eta vs tors. theta energy: -200.826
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: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2274.734733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.734733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.734733 (E_RNA)
where:
Base-Base interactions energy: -1572.618
where: short stacking energy: -673.929
Base-Backbone interact. energy: -1.895
local terms energy: -700.221147
where:
bonds (distance) C4'-P energy: -125.958
bonds (distance) P-C4' energy: -126.687
flat angles C4'-P-C4' energy: -147.903
flat angles P-C4'-P energy: -112.646
tors. eta vs tors. theta energy: -187.027
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: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2238.814944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.814944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.814944 (E_RNA)
where:
Base-Base interactions energy: -1541.634
where: short stacking energy: -669.869
Base-Backbone interact. energy: -0.185
local terms energy: -696.995556
where:
bonds (distance) C4'-P energy: -128.163
bonds (distance) P-C4' energy: -134.443
flat angles C4'-P-C4' energy: -148.384
flat angles P-C4'-P energy: -91.511
tors. eta vs tors. theta energy: -194.496
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: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2081.914011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.914011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.914011 (E_RNA)
where:
Base-Base interactions energy: -1443.481
where: short stacking energy: -592.215
Base-Backbone interact. energy: -3.266
local terms energy: -635.167108
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -133.437
flat angles C4'-P-C4' energy: -127.199
flat angles P-C4'-P energy: -78.183
tors. eta vs tors. theta energy: -173.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1654.175925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.175925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.175925 (E_RNA)
where:
Base-Base interactions energy: -1105.166
where: short stacking energy: -507.235
Base-Backbone interact. energy: 3.739
local terms energy: -552.748798
where:
bonds (distance) C4'-P energy: -118.127
bonds (distance) P-C4' energy: -122.544
flat angles C4'-P-C4' energy: -114.531
flat angles P-C4'-P energy: -82.057
tors. eta vs tors. theta energy: -115.490
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: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1442.892861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.892861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.892861 (E_RNA)
where:
Base-Base interactions energy: -931.197
where: short stacking energy: -428.456
Base-Backbone interact. energy: -3.199
local terms energy: -508.496536
where:
bonds (distance) C4'-P energy: -115.396
bonds (distance) P-C4' energy: -119.628
flat angles C4'-P-C4' energy: -122.749
flat angles P-C4'-P energy: -57.172
tors. eta vs tors. theta energy: -93.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1233.795032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.795032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.795032 (E_RNA)
where:
Base-Base interactions energy: -764.230
where: short stacking energy: -350.821
Base-Backbone interact. energy: 0.416
local terms energy: -469.981436
where:
bonds (distance) C4'-P energy: -121.972
bonds (distance) P-C4' energy: -111.128
flat angles C4'-P-C4' energy: -98.256
flat angles P-C4'-P energy: -71.373
tors. eta vs tors. theta energy: -67.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -820.396979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.396979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.396979 (E_RNA)
where:
Base-Base interactions energy: -442.969
where: short stacking energy: -257.969
Base-Backbone interact. energy: 6.630
local terms energy: -384.058588
where:
bonds (distance) C4'-P energy: -96.041
bonds (distance) P-C4' energy: -121.559
flat angles C4'-P-C4' energy: -106.906
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -13.115
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: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2583.834618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.834618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.834618 (E_RNA)
where:
Base-Base interactions energy: -1801.862
where: short stacking energy: -786.167
Base-Backbone interact. energy: -4.021
local terms energy: -777.950928
where:
bonds (distance) C4'-P energy: -138.775
bonds (distance) P-C4' energy: -141.580
flat angles C4'-P-C4' energy: -164.651
flat angles P-C4'-P energy: -101.592
tors. eta vs tors. theta energy: -231.353
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: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2499.952742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.952742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.952742 (E_RNA)
where:
Base-Base interactions energy: -1754.282
where: short stacking energy: -752.573
Base-Backbone interact. energy: -5.370
local terms energy: -740.300643
where:
bonds (distance) C4'-P energy: -134.770
bonds (distance) P-C4' energy: -140.445
flat angles C4'-P-C4' energy: -159.781
flat angles P-C4'-P energy: -94.254
tors. eta vs tors. theta energy: -211.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2388.528783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.528783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.528783 (E_RNA)
where:
Base-Base interactions energy: -1705.131
where: short stacking energy: -711.672
Base-Backbone interact. energy: 0.356
local terms energy: -683.753840
where:
bonds (distance) C4'-P energy: -135.709
bonds (distance) P-C4' energy: -119.302
flat angles C4'-P-C4' energy: -155.311
flat angles P-C4'-P energy: -81.783
tors. eta vs tors. theta energy: -191.649
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: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2268.238824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.238824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.238824 (E_RNA)
where:
Base-Base interactions energy: -1575.240
where: short stacking energy: -660.014
Base-Backbone interact. energy: -3.267
local terms energy: -689.732035
where:
bonds (distance) C4'-P energy: -119.236
bonds (distance) P-C4' energy: -120.593
flat angles C4'-P-C4' energy: -146.561
flat angles P-C4'-P energy: -97.905
tors. eta vs tors. theta energy: -205.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2264.896802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.896802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.896802 (E_RNA)
where:
Base-Base interactions energy: -1575.464
where: short stacking energy: -669.865
Base-Backbone interact. energy: -2.678
local terms energy: -686.754556
where:
bonds (distance) C4'-P energy: -125.970
bonds (distance) P-C4' energy: -122.861
flat angles C4'-P-C4' energy: -137.503
flat angles P-C4'-P energy: -102.953
tors. eta vs tors. theta energy: -197.468
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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2031.605946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.605946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.605946 (E_RNA)
where:
Base-Base interactions energy: -1427.777
where: short stacking energy: -607.514
Base-Backbone interact. energy: -4.067
local terms energy: -599.761286
where:
bonds (distance) C4'-P energy: -115.451
bonds (distance) P-C4' energy: -119.352
flat angles C4'-P-C4' energy: -120.503
flat angles P-C4'-P energy: -85.422
tors. eta vs tors. theta energy: -159.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1662.850764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.850764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.850764 (E_RNA)
where:
Base-Base interactions energy: -1077.035
where: short stacking energy: -486.173
Base-Backbone interact. energy: -2.224
local terms energy: -583.592111
where:
bonds (distance) C4'-P energy: -120.177
bonds (distance) P-C4' energy: -140.072
flat angles C4'-P-C4' energy: -129.069
flat angles P-C4'-P energy: -69.552
tors. eta vs tors. theta energy: -124.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1448.330375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.330375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.330375 (E_RNA)
where:
Base-Base interactions energy: -938.537
where: short stacking energy: -434.714
Base-Backbone interact. energy: -1.403
local terms energy: -508.390720
where:
bonds (distance) C4'-P energy: -127.167
bonds (distance) P-C4' energy: -92.859
flat angles C4'-P-C4' energy: -120.478
flat angles P-C4'-P energy: -76.772
tors. eta vs tors. theta energy: -91.114
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: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1206.295856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.295856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.295856 (E_RNA)
where:
Base-Base interactions energy: -744.559
where: short stacking energy: -325.530
Base-Backbone interact. energy: 3.961
local terms energy: -465.697239
where:
bonds (distance) C4'-P energy: -105.540
bonds (distance) P-C4' energy: -112.985
flat angles C4'-P-C4' energy: -120.476
flat angles P-C4'-P energy: -81.379
tors. eta vs tors. theta energy: -45.317
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: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -862.531734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.531734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.531734 (E_RNA)
where:
Base-Base interactions energy: -459.562
where: short stacking energy: -235.266
Base-Backbone interact. energy: 3.099
local terms energy: -406.068053
where:
bonds (distance) C4'-P energy: -102.024
bonds (distance) P-C4' energy: -122.678
flat angles C4'-P-C4' energy: -105.325
flat angles P-C4'-P energy: -58.811
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2601.827793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.827793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.827793 (E_RNA)
where:
Base-Base interactions energy: -1802.002
where: short stacking energy: -780.092
Base-Backbone interact. energy: -6.926
local terms energy: -792.899615
where:
bonds (distance) C4'-P energy: -141.899
bonds (distance) P-C4' energy: -138.806
flat angles C4'-P-C4' energy: -156.578
flat angles P-C4'-P energy: -125.380
tors. eta vs tors. theta energy: -230.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2486.060113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.060113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.060113 (E_RNA)
where:
Base-Base interactions energy: -1709.850
where: short stacking energy: -737.983
Base-Backbone interact. energy: -3.349
local terms energy: -772.861851
where:
bonds (distance) C4'-P energy: -140.573
bonds (distance) P-C4' energy: -150.966
flat angles C4'-P-C4' energy: -162.647
flat angles P-C4'-P energy: -100.727
tors. eta vs tors. theta energy: -217.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2412.248621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.248621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.248621 (E_RNA)
where:
Base-Base interactions energy: -1725.279
where: short stacking energy: -685.504
Base-Backbone interact. energy: -4.951
local terms energy: -682.018595
where:
bonds (distance) C4'-P energy: -120.996
bonds (distance) P-C4' energy: -133.810
flat angles C4'-P-C4' energy: -141.557
flat angles P-C4'-P energy: -91.689
tors. eta vs tors. theta energy: -193.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2274.895792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.895792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.895792 (E_RNA)
where:
Base-Base interactions energy: -1566.479
where: short stacking energy: -676.125
Base-Backbone interact. energy: -0.629
local terms energy: -707.787712
where:
bonds (distance) C4'-P energy: -132.110
bonds (distance) P-C4' energy: -128.286
flat angles C4'-P-C4' energy: -154.421
flat angles P-C4'-P energy: -86.359
tors. eta vs tors. theta energy: -206.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2254.457300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.457300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.457300 (E_RNA)
where:
Base-Base interactions energy: -1557.095
where: short stacking energy: -649.842
Base-Backbone interact. energy: -3.987
local terms energy: -693.375135
where:
bonds (distance) C4'-P energy: -131.209
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -161.810
flat angles P-C4'-P energy: -84.287
tors. eta vs tors. theta energy: -199.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2044.605881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.605881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.605881 (E_RNA)
where:
Base-Base interactions energy: -1399.970
where: short stacking energy: -558.759
Base-Backbone interact. energy: 2.086
local terms energy: -646.722448
where:
bonds (distance) C4'-P energy: -125.084
bonds (distance) P-C4' energy: -134.737
flat angles C4'-P-C4' energy: -141.554
flat angles P-C4'-P energy: -96.575
tors. eta vs tors. theta energy: -148.772
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: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1552.907270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.907270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.907270 (E_RNA)
where:
Base-Base interactions energy: -1003.165
where: short stacking energy: -463.085
Base-Backbone interact. energy: -0.250
local terms energy: -549.492719
where:
bonds (distance) C4'-P energy: -121.058
bonds (distance) P-C4' energy: -138.473
flat angles C4'-P-C4' energy: -126.211
flat angles P-C4'-P energy: -77.893
tors. eta vs tors. theta energy: -85.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1488.849728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.849728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.849728 (E_RNA)
where:
Base-Base interactions energy: -973.843
where: short stacking energy: -425.215
Base-Backbone interact. energy: -1.168
local terms energy: -513.838449
where:
bonds (distance) C4'-P energy: -116.082
bonds (distance) P-C4' energy: -108.631
flat angles C4'-P-C4' energy: -113.036
flat angles P-C4'-P energy: -87.926
tors. eta vs tors. theta energy: -88.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1197.050006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.050006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.050006 (E_RNA)
where:
Base-Base interactions energy: -733.915
where: short stacking energy: -356.184
Base-Backbone interact. energy: -1.613
local terms energy: -461.521619
where:
bonds (distance) C4'-P energy: -116.218
bonds (distance) P-C4' energy: -109.591
flat angles C4'-P-C4' energy: -105.473
flat angles P-C4'-P energy: -59.572
tors. eta vs tors. theta energy: -70.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -843.148338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.148338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.148338 (E_RNA)
where:
Base-Base interactions energy: -475.426
where: short stacking energy: -265.474
Base-Backbone interact. energy: 0.658
local terms energy: -368.380568
where:
bonds (distance) C4'-P energy: -100.832
bonds (distance) P-C4' energy: -107.165
flat angles C4'-P-C4' energy: -100.812
flat angles P-C4'-P energy: -53.901
tors. eta vs tors. theta energy: -5.670
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: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2583.618267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.618267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.618267 (E_RNA)
where:
Base-Base interactions energy: -1792.753
where: short stacking energy: -773.133
Base-Backbone interact. energy: -5.011
local terms energy: -785.854608
where:
bonds (distance) C4'-P energy: -139.613
bonds (distance) P-C4' energy: -138.057
flat angles C4'-P-C4' energy: -166.446
flat angles P-C4'-P energy: -112.266
tors. eta vs tors. theta energy: -229.473
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: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2487.214294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.214294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.214294 (E_RNA)
where:
Base-Base interactions energy: -1721.643
where: short stacking energy: -739.891
Base-Backbone interact. energy: 0.140
local terms energy: -765.711129
where:
bonds (distance) C4'-P energy: -138.875
bonds (distance) P-C4' energy: -145.437
flat angles C4'-P-C4' energy: -167.187
flat angles P-C4'-P energy: -94.332
tors. eta vs tors. theta energy: -219.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2431.531206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.531206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.531206 (E_RNA)
where:
Base-Base interactions energy: -1717.154
where: short stacking energy: -709.479
Base-Backbone interact. energy: -2.831
local terms energy: -711.545408
where:
bonds (distance) C4'-P energy: -129.614
bonds (distance) P-C4' energy: -114.847
flat angles C4'-P-C4' energy: -163.688
flat angles P-C4'-P energy: -102.353
tors. eta vs tors. theta energy: -201.043
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: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2270.427621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.427621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.427621 (E_RNA)
where:
Base-Base interactions energy: -1549.734
where: short stacking energy: -683.783
Base-Backbone interact. energy: -3.455
local terms energy: -717.237916
where:
bonds (distance) C4'-P energy: -133.851
bonds (distance) P-C4' energy: -146.549
flat angles C4'-P-C4' energy: -138.018
flat angles P-C4'-P energy: -97.159
tors. eta vs tors. theta energy: -201.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2225.580039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.580039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.580039 (E_RNA)
where:
Base-Base interactions energy: -1562.194
where: short stacking energy: -671.201
Base-Backbone interact. energy: -2.472
local terms energy: -660.914773
where:
bonds (distance) C4'-P energy: -113.872
bonds (distance) P-C4' energy: -130.168
flat angles C4'-P-C4' energy: -139.590
flat angles P-C4'-P energy: -77.302
tors. eta vs tors. theta energy: -199.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2028.361826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.361826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.361826 (E_RNA)
where:
Base-Base interactions energy: -1433.787
where: short stacking energy: -584.110
Base-Backbone interact. energy: -0.876
local terms energy: -593.698137
where:
bonds (distance) C4'-P energy: -109.057
bonds (distance) P-C4' energy: -110.106
flat angles C4'-P-C4' energy: -139.247
flat angles P-C4'-P energy: -78.352
tors. eta vs tors. theta energy: -156.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1585.779942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.779942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.779942 (E_RNA)
where:
Base-Base interactions energy: -1003.303
where: short stacking energy: -441.116
Base-Backbone interact. energy: -0.867
local terms energy: -581.610142
where:
bonds (distance) C4'-P energy: -129.411
bonds (distance) P-C4' energy: -135.622
flat angles C4'-P-C4' energy: -141.361
flat angles P-C4'-P energy: -80.625
tors. eta vs tors. theta energy: -94.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1424.443075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.443075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.443075 (E_RNA)
where:
Base-Base interactions energy: -906.969
where: short stacking energy: -424.780
Base-Backbone interact. energy: -4.149
local terms energy: -513.325809
where:
bonds (distance) C4'-P energy: -126.762
bonds (distance) P-C4' energy: -100.583
flat angles C4'-P-C4' energy: -123.484
flat angles P-C4'-P energy: -73.913
tors. eta vs tors. theta energy: -88.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1133.516084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.516084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.516084 (E_RNA)
where:
Base-Base interactions energy: -656.406
where: short stacking energy: -350.495
Base-Backbone interact. energy: -0.305
local terms energy: -476.805250
where:
bonds (distance) C4'-P energy: -118.329
bonds (distance) P-C4' energy: -114.031
flat angles C4'-P-C4' energy: -116.492
flat angles P-C4'-P energy: -72.799
tors. eta vs tors. theta energy: -55.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -832.923116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.923116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.923116 (E_RNA)
where:
Base-Base interactions energy: -428.989
where: short stacking energy: -240.231
Base-Backbone interact. energy: 2.342
local terms energy: -406.276385
where:
bonds (distance) C4'-P energy: -109.532
bonds (distance) P-C4' energy: -110.460
flat angles C4'-P-C4' energy: -120.329
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2592.361521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.361521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.361521 (E_RNA)
where:
Base-Base interactions energy: -1795.847
where: short stacking energy: -773.069
Base-Backbone interact. energy: -3.445
local terms energy: -793.069227
where:
bonds (distance) C4'-P energy: -139.610
bonds (distance) P-C4' energy: -138.216
flat angles C4'-P-C4' energy: -160.215
flat angles P-C4'-P energy: -119.975
tors. eta vs tors. theta energy: -235.054
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: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2490.595247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.595247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.595247 (E_RNA)
where:
Base-Base interactions energy: -1710.620
where: short stacking energy: -745.888
Base-Backbone interact. energy: -3.477
local terms energy: -776.498097
where:
bonds (distance) C4'-P energy: -139.400
bonds (distance) P-C4' energy: -141.788
flat angles C4'-P-C4' energy: -167.036
flat angles P-C4'-P energy: -112.006
tors. eta vs tors. theta energy: -216.269
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: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2414.799389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.799389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.799389 (E_RNA)
where:
Base-Base interactions energy: -1691.504
where: short stacking energy: -687.092
Base-Backbone interact. energy: -5.017
local terms energy: -718.278276
where:
bonds (distance) C4'-P energy: -142.789
bonds (distance) P-C4' energy: -123.677
flat angles C4'-P-C4' energy: -149.734
flat angles P-C4'-P energy: -93.658
tors. eta vs tors. theta energy: -208.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2265.564238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.564238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.564238 (E_RNA)
where:
Base-Base interactions energy: -1537.670
where: short stacking energy: -656.824
Base-Backbone interact. energy: -2.154
local terms energy: -725.740272
where:
bonds (distance) C4'-P energy: -152.731
bonds (distance) P-C4' energy: -129.351
flat angles C4'-P-C4' energy: -157.054
flat angles P-C4'-P energy: -97.054
tors. eta vs tors. theta energy: -189.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2236.915626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.915626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.915626 (E_RNA)
where:
Base-Base interactions energy: -1544.599
where: short stacking energy: -642.392
Base-Backbone interact. energy: -4.753
local terms energy: -687.563490
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -126.641
flat angles C4'-P-C4' energy: -153.529
flat angles P-C4'-P energy: -94.647
tors. eta vs tors. theta energy: -187.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1957.803860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.803860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.803860 (E_RNA)
where:
Base-Base interactions energy: -1341.085
where: short stacking energy: -548.417
Base-Backbone interact. energy: -2.118
local terms energy: -614.600330
where:
bonds (distance) C4'-P energy: -121.617
bonds (distance) P-C4' energy: -124.190
flat angles C4'-P-C4' energy: -140.205
flat angles P-C4'-P energy: -84.542
tors. eta vs tors. theta energy: -144.047
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: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1570.542152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.542152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.542152 (E_RNA)
where:
Base-Base interactions energy: -1021.870
where: short stacking energy: -495.745
Base-Backbone interact. energy: 3.773
local terms energy: -552.445795
where:
bonds (distance) C4'-P energy: -124.334
bonds (distance) P-C4' energy: -124.786
flat angles C4'-P-C4' energy: -135.552
flat angles P-C4'-P energy: -62.430
tors. eta vs tors. theta energy: -105.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1429.264397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.264397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.264397 (E_RNA)
where:
Base-Base interactions energy: -924.465
where: short stacking energy: -434.041
Base-Backbone interact. energy: 7.084
local terms energy: -511.883279
where:
bonds (distance) C4'-P energy: -126.845
bonds (distance) P-C4' energy: -108.136
flat angles C4'-P-C4' energy: -117.245
flat angles P-C4'-P energy: -58.157
tors. eta vs tors. theta energy: -101.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1089.804427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.804427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.804427 (E_RNA)
where:
Base-Base interactions energy: -637.950
where: short stacking energy: -298.492
Base-Backbone interact. energy: 0.280
local terms energy: -452.134466
where:
bonds (distance) C4'-P energy: -108.431
bonds (distance) P-C4' energy: -110.344
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -49.009
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: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -854.208413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.208413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.208413 (E_RNA)
where:
Base-Base interactions energy: -497.616
where: short stacking energy: -255.017
Base-Backbone interact. energy: 0.374
local terms energy: -356.966191
where:
bonds (distance) C4'-P energy: -90.670
bonds (distance) P-C4' energy: -120.416
flat angles C4'-P-C4' energy: -101.180
flat angles P-C4'-P energy: -42.734
tors. eta vs tors. theta energy: -1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2610.429572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.429572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.429572 (E_RNA)
where:
Base-Base interactions energy: -1812.392
where: short stacking energy: -787.919
Base-Backbone interact. energy: 0.102
local terms energy: -798.140109
where:
bonds (distance) C4'-P energy: -142.804
bonds (distance) P-C4' energy: -138.446
flat angles C4'-P-C4' energy: -165.624
flat angles P-C4'-P energy: -117.434
tors. eta vs tors. theta energy: -233.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2499.607651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.607651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.607651 (E_RNA)
where:
Base-Base interactions energy: -1725.487
where: short stacking energy: -747.071
Base-Backbone interact. energy: -0.824
local terms energy: -773.296623
where:
bonds (distance) C4'-P energy: -128.535
bonds (distance) P-C4' energy: -145.686
flat angles C4'-P-C4' energy: -162.900
flat angles P-C4'-P energy: -115.827
tors. eta vs tors. theta energy: -220.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2430.245614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.245614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.245614 (E_RNA)
where:
Base-Base interactions energy: -1702.305
where: short stacking energy: -702.041
Base-Backbone interact. energy: -1.317
local terms energy: -726.623648
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -140.025
flat angles C4'-P-C4' energy: -144.631
flat angles P-C4'-P energy: -101.680
tors. eta vs tors. theta energy: -206.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2278.569996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.569996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.569996 (E_RNA)
where:
Base-Base interactions energy: -1590.264
where: short stacking energy: -674.115
Base-Backbone interact. energy: -1.765
local terms energy: -686.541105
where:
bonds (distance) C4'-P energy: -109.705
bonds (distance) P-C4' energy: -141.066
flat angles C4'-P-C4' energy: -159.461
flat angles P-C4'-P energy: -94.991
tors. eta vs tors. theta energy: -181.318
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: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2181.845905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.845905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.845905 (E_RNA)
where:
Base-Base interactions energy: -1471.322
where: short stacking energy: -649.456
Base-Backbone interact. energy: 5.666
local terms energy: -716.189602
where:
bonds (distance) C4'-P energy: -130.453
bonds (distance) P-C4' energy: -145.844
flat angles C4'-P-C4' energy: -139.758
flat angles P-C4'-P energy: -109.829
tors. eta vs tors. theta energy: -190.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1935.175722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.175722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.175722 (E_RNA)
where:
Base-Base interactions energy: -1324.589
where: short stacking energy: -531.943
Base-Backbone interact. energy: -4.019
local terms energy: -606.568372
where:
bonds (distance) C4'-P energy: -127.786
bonds (distance) P-C4' energy: -119.645
flat angles C4'-P-C4' energy: -127.749
flat angles P-C4'-P energy: -91.633
tors. eta vs tors. theta energy: -139.756
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: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1582.669299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.669299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.669299 (E_RNA)
where:
Base-Base interactions energy: -1033.415
where: short stacking energy: -456.395
Base-Backbone interact. energy: -0.524
local terms energy: -548.729688
where:
bonds (distance) C4'-P energy: -115.576
bonds (distance) P-C4' energy: -110.693
flat angles C4'-P-C4' energy: -130.854
flat angles P-C4'-P energy: -85.643
tors. eta vs tors. theta energy: -105.963
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: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1424.250808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.250808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.250808 (E_RNA)
where:
Base-Base interactions energy: -914.190
where: short stacking energy: -425.804
Base-Backbone interact. energy: -1.989
local terms energy: -508.072111
where:
bonds (distance) C4'-P energy: -100.554
bonds (distance) P-C4' energy: -133.556
flat angles C4'-P-C4' energy: -128.351
flat angles P-C4'-P energy: -64.205
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: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1033.137878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.137878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.137878 (E_RNA)
where:
Base-Base interactions energy: -609.036
where: short stacking energy: -306.975
Base-Backbone interact. energy: 2.502
local terms energy: -426.604375
where:
bonds (distance) C4'-P energy: -107.425
bonds (distance) P-C4' energy: -106.658
flat angles C4'-P-C4' energy: -118.168
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -38.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -824.061252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.061252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.061252 (E_RNA)
where:
Base-Base interactions energy: -455.288
where: short stacking energy: -239.348
Base-Backbone interact. energy: 0.275
local terms energy: -369.047971
where:
bonds (distance) C4'-P energy: -99.114
bonds (distance) P-C4' energy: -123.020
flat angles C4'-P-C4' energy: -93.818
flat angles P-C4'-P energy: -56.551
tors. eta vs tors. theta energy: 3.455
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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2612.354306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.354306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.354306 (E_RNA)
where:
Base-Base interactions energy: -1803.900
where: short stacking energy: -809.245
Base-Backbone interact. energy: -4.317
local terms energy: -804.136742
where:
bonds (distance) C4'-P energy: -142.968
bonds (distance) P-C4' energy: -137.342
flat angles C4'-P-C4' energy: -172.241
flat angles P-C4'-P energy: -111.081
tors. eta vs tors. theta energy: -240.505
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: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2513.051109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.051109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.051109 (E_RNA)
where:
Base-Base interactions energy: -1733.199
where: short stacking energy: -730.059
Base-Backbone interact. energy: -1.434
local terms energy: -778.417574
where:
bonds (distance) C4'-P energy: -146.751
bonds (distance) P-C4' energy: -147.780
flat angles C4'-P-C4' energy: -168.710
flat angles P-C4'-P energy: -109.429
tors. eta vs tors. theta energy: -205.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2428.308305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.308305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.308305 (E_RNA)
where:
Base-Base interactions energy: -1720.615
where: short stacking energy: -716.071
Base-Backbone interact. energy: 4.658
local terms energy: -712.351665
where:
bonds (distance) C4'-P energy: -121.653
bonds (distance) P-C4' energy: -129.678
flat angles C4'-P-C4' energy: -167.180
flat angles P-C4'-P energy: -90.369
tors. eta vs tors. theta energy: -203.472
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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2311.863888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.863888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.863888 (E_RNA)
where:
Base-Base interactions energy: -1593.691
where: short stacking energy: -692.224
Base-Backbone interact. energy: -0.006
local terms energy: -718.166403
where:
bonds (distance) C4'-P energy: -127.042
bonds (distance) P-C4' energy: -142.238
flat angles C4'-P-C4' energy: -155.189
flat angles P-C4'-P energy: -90.336
tors. eta vs tors. theta energy: -203.362
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: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2171.593932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.593932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.593932 (E_RNA)
where:
Base-Base interactions energy: -1467.089
where: short stacking energy: -643.223
Base-Backbone interact. energy: -0.025
local terms energy: -704.480076
where:
bonds (distance) C4'-P energy: -122.840
bonds (distance) P-C4' energy: -135.336
flat angles C4'-P-C4' energy: -151.315
flat angles P-C4'-P energy: -91.779
tors. eta vs tors. theta energy: -203.211
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: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1842.922036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.922036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.922036 (E_RNA)
where:
Base-Base interactions energy: -1304.864
where: short stacking energy: -520.125
Base-Backbone interact. energy: 1.445
local terms energy: -539.503853
where:
bonds (distance) C4'-P energy: -110.508
bonds (distance) P-C4' energy: -112.714
flat angles C4'-P-C4' energy: -132.510
flat angles P-C4'-P energy: -68.351
tors. eta vs tors. theta energy: -115.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1616.152248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.152248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.152248 (E_RNA)
where:
Base-Base interactions energy: -1067.702
where: short stacking energy: -456.056
Base-Backbone interact. energy: 1.242
local terms energy: -549.692252
where:
bonds (distance) C4'-P energy: -121.339
bonds (distance) P-C4' energy: -118.459
flat angles C4'-P-C4' energy: -125.107
flat angles P-C4'-P energy: -85.107
tors. eta vs tors. theta energy: -99.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1410.171126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.171126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.171126 (E_RNA)
where:
Base-Base interactions energy: -918.758
where: short stacking energy: -425.576
Base-Backbone interact. energy: 5.363
local terms energy: -496.776164
where:
bonds (distance) C4'-P energy: -99.390
bonds (distance) P-C4' energy: -111.249
flat angles C4'-P-C4' energy: -130.562
flat angles P-C4'-P energy: -80.689
tors. eta vs tors. theta energy: -74.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1123.749256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.749256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.749256 (E_RNA)
where:
Base-Base interactions energy: -665.412
where: short stacking energy: -327.178
Base-Backbone interact. energy: 4.466
local terms energy: -462.804040
where:
bonds (distance) C4'-P energy: -117.562
bonds (distance) P-C4' energy: -124.709
flat angles C4'-P-C4' energy: -96.960
flat angles P-C4'-P energy: -78.611
tors. eta vs tors. theta energy: -44.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -868.043311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.043311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.043311 (E_RNA)
where:
Base-Base interactions energy: -473.481
where: short stacking energy: -242.923
Base-Backbone interact. energy: 3.996
local terms energy: -398.558245
where:
bonds (distance) C4'-P energy: -116.518
bonds (distance) P-C4' energy: -108.023
flat angles C4'-P-C4' energy: -90.866
flat angles P-C4'-P energy: -65.979
tors. eta vs tors. theta energy: -17.172
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: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2587.263583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.263583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.263583 (E_RNA)
where:
Base-Base interactions energy: -1800.680
where: short stacking energy: -796.963
Base-Backbone interact. energy: -3.699
local terms energy: -782.884331
where:
bonds (distance) C4'-P energy: -132.851
bonds (distance) P-C4' energy: -140.376
flat angles C4'-P-C4' energy: -165.373
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -237.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2500.280171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.280171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.280171 (E_RNA)
where:
Base-Base interactions energy: -1719.748
where: short stacking energy: -735.291
Base-Backbone interact. energy: -1.397
local terms energy: -779.135789
where:
bonds (distance) C4'-P energy: -136.384
bonds (distance) P-C4' energy: -137.340
flat angles C4'-P-C4' energy: -167.715
flat angles P-C4'-P energy: -108.905
tors. eta vs tors. theta energy: -228.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2419.891519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.891519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.891519 (E_RNA)
where:
Base-Base interactions energy: -1708.059
where: short stacking energy: -708.578
Base-Backbone interact. energy: -4.648
local terms energy: -707.184046
where:
bonds (distance) C4'-P energy: -118.910
bonds (distance) P-C4' energy: -128.622
flat angles C4'-P-C4' energy: -158.556
flat angles P-C4'-P energy: -111.554
tors. eta vs tors. theta energy: -189.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2297.776394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.776394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.776394 (E_RNA)
where:
Base-Base interactions energy: -1604.219
where: short stacking energy: -701.844
Base-Backbone interact. energy: 1.663
local terms energy: -695.219673
where:
bonds (distance) C4'-P energy: -126.415
bonds (distance) P-C4' energy: -117.288
flat angles C4'-P-C4' energy: -155.747
flat angles P-C4'-P energy: -101.256
tors. eta vs tors. theta energy: -194.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2139.723992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.723992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.723992 (E_RNA)
where:
Base-Base interactions energy: -1467.580
where: short stacking energy: -633.705
Base-Backbone interact. energy: -1.410
local terms energy: -670.734140
where:
bonds (distance) C4'-P energy: -116.106
bonds (distance) P-C4' energy: -134.350
flat angles C4'-P-C4' energy: -140.330
flat angles P-C4'-P energy: -92.388
tors. eta vs tors. theta energy: -187.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1870.705631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.705631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.705631 (E_RNA)
where:
Base-Base interactions energy: -1273.094
where: short stacking energy: -539.706
Base-Backbone interact. energy: -0.085
local terms energy: -597.526366
where:
bonds (distance) C4'-P energy: -119.016
bonds (distance) P-C4' energy: -115.145
flat angles C4'-P-C4' energy: -127.732
flat angles P-C4'-P energy: -89.559
tors. eta vs tors. theta energy: -146.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1674.190647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.190647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.190647 (E_RNA)
where:
Base-Base interactions energy: -1125.998
where: short stacking energy: -485.235
Base-Backbone interact. energy: -1.534
local terms energy: -546.659241
where:
bonds (distance) C4'-P energy: -127.986
bonds (distance) P-C4' energy: -116.213
flat angles C4'-P-C4' energy: -134.311
flat angles P-C4'-P energy: -60.626
tors. eta vs tors. theta energy: -107.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1449.440043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.440043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.440043 (E_RNA)
where:
Base-Base interactions energy: -906.086
where: short stacking energy: -424.691
Base-Backbone interact. energy: -1.428
local terms energy: -541.926604
where:
bonds (distance) C4'-P energy: -108.344
bonds (distance) P-C4' energy: -128.316
flat angles C4'-P-C4' energy: -117.252
flat angles P-C4'-P energy: -78.350
tors. eta vs tors. theta energy: -109.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1148.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.297726 (E_RNA)
where:
Base-Base interactions energy: -701.933
where: short stacking energy: -338.642
Base-Backbone interact. energy: 0.165
local terms energy: -446.529904
where:
bonds (distance) C4'-P energy: -118.332
bonds (distance) P-C4' energy: -105.927
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -77.933
tors. eta vs tors. theta energy: -52.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -917.421724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.421724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.421724 (E_RNA)
where:
Base-Base interactions energy: -514.528
where: short stacking energy: -280.984
Base-Backbone interact. energy: -1.284
local terms energy: -401.608781
where:
bonds (distance) C4'-P energy: -119.789
bonds (distance) P-C4' energy: -118.543
flat angles C4'-P-C4' energy: -93.802
flat angles P-C4'-P energy: -49.516
tors. eta vs tors. theta energy: -19.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2586.275789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.275789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.275789 (E_RNA)
where:
Base-Base interactions energy: -1787.019
where: short stacking energy: -770.770
Base-Backbone interact. energy: -1.048
local terms energy: -798.209149
where:
bonds (distance) C4'-P energy: -128.466
bonds (distance) P-C4' energy: -148.393
flat angles C4'-P-C4' energy: -169.159
flat angles P-C4'-P energy: -116.091
tors. eta vs tors. theta energy: -236.100
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: 444
Temperature: 0.950000
Total energy: -2479.914126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.914126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.914126 (E_RNA)
where:
Base-Base interactions energy: -1735.583
where: short stacking energy: -736.353
Base-Backbone interact. energy: -1.639
local terms energy: -742.692739
where:
bonds (distance) C4'-P energy: -128.189
bonds (distance) P-C4' energy: -136.225
flat angles C4'-P-C4' energy: -143.272
flat angles P-C4'-P energy: -114.232
tors. eta vs tors. theta energy: -220.775
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: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2404.375722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.375722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.375722 (E_RNA)
where:
Base-Base interactions energy: -1689.744
where: short stacking energy: -696.609
Base-Backbone interact. energy: 0.247
local terms energy: -714.878630
where:
bonds (distance) C4'-P energy: -137.587
bonds (distance) P-C4' energy: -135.282
flat angles C4'-P-C4' energy: -163.267
flat angles P-C4'-P energy: -87.803
tors. eta vs tors. theta energy: -190.940
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: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2298.973403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.973403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.973403 (E_RNA)
where:
Base-Base interactions energy: -1604.533
where: short stacking energy: -662.655
Base-Backbone interact. energy: -1.786
local terms energy: -692.654242
where:
bonds (distance) C4'-P energy: -128.791
bonds (distance) P-C4' energy: -125.213
flat angles C4'-P-C4' energy: -149.594
flat angles P-C4'-P energy: -104.424
tors. eta vs tors. theta energy: -184.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2142.504240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.504240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.504240 (E_RNA)
where:
Base-Base interactions energy: -1483.685
where: short stacking energy: -619.088
Base-Backbone interact. energy: 3.918
local terms energy: -662.737363
where:
bonds (distance) C4'-P energy: -115.590
bonds (distance) P-C4' energy: -126.465
flat angles C4'-P-C4' energy: -143.714
flat angles P-C4'-P energy: -94.381
tors. eta vs tors. theta energy: -182.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1842.330007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.330007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.330007 (E_RNA)
where:
Base-Base interactions energy: -1258.362
where: short stacking energy: -521.625
Base-Backbone interact. energy: -1.738
local terms energy: -582.229329
where:
bonds (distance) C4'-P energy: -111.984
bonds (distance) P-C4' energy: -120.587
flat angles C4'-P-C4' energy: -126.235
flat angles P-C4'-P energy: -87.042
tors. eta vs tors. theta energy: -136.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1661.965225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.965225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.965225 (E_RNA)
where:
Base-Base interactions energy: -1116.837
where: short stacking energy: -493.101
Base-Backbone interact. energy: -1.869
local terms energy: -543.259682
where:
bonds (distance) C4'-P energy: -104.396
bonds (distance) P-C4' energy: -130.238
flat angles C4'-P-C4' energy: -124.638
flat angles P-C4'-P energy: -70.925
tors. eta vs tors. theta energy: -113.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1432.912878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.912878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.912878 (E_RNA)
where:
Base-Base interactions energy: -919.946
where: short stacking energy: -432.556
Base-Backbone interact. energy: 3.044
local terms energy: -516.010512
where:
bonds (distance) C4'-P energy: -140.676
bonds (distance) P-C4' energy: -104.766
flat angles C4'-P-C4' energy: -109.451
flat angles P-C4'-P energy: -68.737
tors. eta vs tors. theta energy: -92.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1203.634329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.634329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.634329 (E_RNA)
where:
Base-Base interactions energy: -724.509
where: short stacking energy: -341.420
Base-Backbone interact. energy: -0.559
local terms energy: -478.566147
where:
bonds (distance) C4'-P energy: -118.790
bonds (distance) P-C4' energy: -122.404
flat angles C4'-P-C4' energy: -127.692
flat angles P-C4'-P energy: -59.572
tors. eta vs tors. theta energy: -50.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -883.510764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.510764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.510764 (E_RNA)
where:
Base-Base interactions energy: -460.490
where: short stacking energy: -224.947
Base-Backbone interact. energy: -0.570
local terms energy: -422.450727
where:
bonds (distance) C4'-P energy: -121.317
bonds (distance) P-C4' energy: -131.307
flat angles C4'-P-C4' energy: -92.042
flat angles P-C4'-P energy: -53.540
tors. eta vs tors. theta energy: -24.245
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: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2574.033499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.033499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.033499 (E_RNA)
where:
Base-Base interactions energy: -1769.513
where: short stacking energy: -747.311
Base-Backbone interact. energy: -3.171
local terms energy: -801.349163
where:
bonds (distance) C4'-P energy: -138.081
bonds (distance) P-C4' energy: -147.212
flat angles C4'-P-C4' energy: -162.671
flat angles P-C4'-P energy: -123.074
tors. eta vs tors. theta energy: -230.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2495.989460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.989460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.989460 (E_RNA)
where:
Base-Base interactions energy: -1715.337
where: short stacking energy: -754.183
Base-Backbone interact. energy: -1.922
local terms energy: -778.731169
where:
bonds (distance) C4'-P energy: -117.158
bonds (distance) P-C4' energy: -140.529
flat angles C4'-P-C4' energy: -181.425
flat angles P-C4'-P energy: -108.354
tors. eta vs tors. theta energy: -231.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2432.853001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.853001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.853001 (E_RNA)
where:
Base-Base interactions energy: -1701.249
where: short stacking energy: -693.509
Base-Backbone interact. energy: -3.580
local terms energy: -728.024291
where:
bonds (distance) C4'-P energy: -118.775
bonds (distance) P-C4' energy: -141.256
flat angles C4'-P-C4' energy: -157.514
flat angles P-C4'-P energy: -103.505
tors. eta vs tors. theta energy: -206.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2284.386275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.386275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.386275 (E_RNA)
where:
Base-Base interactions energy: -1580.379
where: short stacking energy: -659.256
Base-Backbone interact. energy: -4.655
local terms energy: -699.352333
where:
bonds (distance) C4'-P energy: -119.401
bonds (distance) P-C4' energy: -142.103
flat angles C4'-P-C4' energy: -151.757
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -192.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2174.663720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.663720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.663720 (E_RNA)
where:
Base-Base interactions energy: -1473.528
where: short stacking energy: -637.406
Base-Backbone interact. energy: -0.139
local terms energy: -700.996042
where:
bonds (distance) C4'-P energy: -117.868
bonds (distance) P-C4' energy: -137.834
flat angles C4'-P-C4' energy: -151.291
flat angles P-C4'-P energy: -106.258
tors. eta vs tors. theta energy: -187.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1864.205882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.205882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.205882 (E_RNA)
where:
Base-Base interactions energy: -1237.910
where: short stacking energy: -523.118
Base-Backbone interact. energy: -0.525
local terms energy: -625.771019
where:
bonds (distance) C4'-P energy: -128.958
bonds (distance) P-C4' energy: -125.009
flat angles C4'-P-C4' energy: -133.469
flat angles P-C4'-P energy: -96.836
tors. eta vs tors. theta energy: -141.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1704.766729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.766729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.766729 (E_RNA)
where:
Base-Base interactions energy: -1109.091
where: short stacking energy: -485.098
Base-Backbone interact. energy: -0.908
local terms energy: -594.767458
where:
bonds (distance) C4'-P energy: -118.538
bonds (distance) P-C4' energy: -131.413
flat angles C4'-P-C4' energy: -136.283
flat angles P-C4'-P energy: -92.610
tors. eta vs tors. theta energy: -115.924
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: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1376.956099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.956099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.956099 (E_RNA)
where:
Base-Base interactions energy: -875.861
where: short stacking energy: -419.398
Base-Backbone interact. energy: 0.076
local terms energy: -501.170971
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -109.234
flat angles C4'-P-C4' energy: -125.954
flat angles P-C4'-P energy: -58.518
tors. eta vs tors. theta energy: -86.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1095.014602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.014602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.014602 (E_RNA)
where:
Base-Base interactions energy: -684.025
where: short stacking energy: -326.945
Base-Backbone interact. energy: 3.345
local terms energy: -414.334449
where:
bonds (distance) C4'-P energy: -95.625
bonds (distance) P-C4' energy: -102.765
flat angles C4'-P-C4' energy: -111.417
flat angles P-C4'-P energy: -64.349
tors. eta vs tors. theta energy: -40.179
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: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -884.817670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.817670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.817670 (E_RNA)
where:
Base-Base interactions energy: -433.386
where: short stacking energy: -233.914
Base-Backbone interact. energy: 4.631
local terms energy: -456.062347
where:
bonds (distance) C4'-P energy: -114.477
bonds (distance) P-C4' energy: -124.333
flat angles C4'-P-C4' energy: -116.227
flat angles P-C4'-P energy: -64.081
tors. eta vs tors. theta energy: -36.945
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: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2587.009100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.009100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.009100 (E_RNA)
where:
Base-Base interactions energy: -1809.807
where: short stacking energy: -780.830
Base-Backbone interact. energy: -4.158
local terms energy: -773.044141
where:
bonds (distance) C4'-P energy: -139.444
bonds (distance) P-C4' energy: -135.726
flat angles C4'-P-C4' energy: -156.181
flat angles P-C4'-P energy: -115.302
tors. eta vs tors. theta energy: -226.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2506.659778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.659778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.659778 (E_RNA)
where:
Base-Base interactions energy: -1745.301
where: short stacking energy: -780.716
Base-Backbone interact. energy: -3.601
local terms energy: -757.758163
where:
bonds (distance) C4'-P energy: -134.976
bonds (distance) P-C4' energy: -126.030
flat angles C4'-P-C4' energy: -170.704
flat angles P-C4'-P energy: -101.699
tors. eta vs tors. theta energy: -224.349
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2406.977080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.977080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.977080 (E_RNA)
where:
Base-Base interactions energy: -1666.875
where: short stacking energy: -697.021
Base-Backbone interact. energy: -2.482
local terms energy: -737.619922
where:
bonds (distance) C4'-P energy: -133.166
bonds (distance) P-C4' energy: -133.693
flat angles C4'-P-C4' energy: -146.390
flat angles P-C4'-P energy: -116.675
tors. eta vs tors. theta energy: -207.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2394.384154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.384154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.384154 (E_RNA)
where:
Base-Base interactions energy: -1710.917
where: short stacking energy: -711.007
Base-Backbone interact. energy: -2.650
local terms energy: -680.817211
where:
bonds (distance) C4'-P energy: -118.879
bonds (distance) P-C4' energy: -130.258
flat angles C4'-P-C4' energy: -150.367
flat angles P-C4'-P energy: -92.081
tors. eta vs tors. theta energy: -189.233
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2084.839110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.839110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.839110 (E_RNA)
where:
Base-Base interactions energy: -1432.184
where: short stacking energy: -625.966
Base-Backbone interact. energy: 2.196
local terms energy: -654.851256
where:
bonds (distance) C4'-P energy: -117.377
bonds (distance) P-C4' energy: -121.257
flat angles C4'-P-C4' energy: -154.520
flat angles P-C4'-P energy: -86.158
tors. eta vs tors. theta energy: -175.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1887.482613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.482613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.482613 (E_RNA)
where:
Base-Base interactions energy: -1284.570
where: short stacking energy: -535.041
Base-Backbone interact. energy: -0.328
local terms energy: -602.585185
where:
bonds (distance) C4'-P energy: -132.987
bonds (distance) P-C4' energy: -117.216
flat angles C4'-P-C4' energy: -130.130
flat angles P-C4'-P energy: -83.783
tors. eta vs tors. theta energy: -138.470
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: 446
Temperature: 1.200000
Total energy: -1664.173168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.173168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.173168 (E_RNA)
where:
Base-Base interactions energy: -1087.213
where: short stacking energy: -494.432
Base-Backbone interact. energy: -1.461
local terms energy: -575.499231
where:
bonds (distance) C4'-P energy: -114.967
bonds (distance) P-C4' energy: -117.815
flat angles C4'-P-C4' energy: -130.353
flat angles P-C4'-P energy: -90.523
tors. eta vs tors. theta energy: -121.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1312.566101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.566101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.566101 (E_RNA)
where:
Base-Base interactions energy: -826.788
where: short stacking energy: -352.769
Base-Backbone interact. energy: -2.584
local terms energy: -483.194561
where:
bonds (distance) C4'-P energy: -110.866
bonds (distance) P-C4' energy: -117.086
flat angles C4'-P-C4' energy: -116.952
flat angles P-C4'-P energy: -78.621
tors. eta vs tors. theta energy: -59.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1151.061504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.061504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.061504 (E_RNA)
where:
Base-Base interactions energy: -690.873
where: short stacking energy: -330.238
Base-Backbone interact. energy: 0.121
local terms energy: -460.309211
where:
bonds (distance) C4'-P energy: -109.904
bonds (distance) P-C4' energy: -121.855
flat angles C4'-P-C4' energy: -99.875
flat angles P-C4'-P energy: -85.546
tors. eta vs tors. theta energy: -43.129
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: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -841.443583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.443583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.443583 (E_RNA)
where:
Base-Base interactions energy: -437.185
where: short stacking energy: -236.293
Base-Backbone interact. energy: -3.084
local terms energy: -401.174229
where:
bonds (distance) C4'-P energy: -98.734
bonds (distance) P-C4' energy: -104.745
flat angles C4'-P-C4' energy: -104.075
flat angles P-C4'-P energy: -86.004
tors. eta vs tors. theta energy: -7.616
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: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2578.399814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.399814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.399814 (E_RNA)
where:
Base-Base interactions energy: -1760.437
where: short stacking energy: -749.934
Base-Backbone interact. energy: -1.981
local terms energy: -815.981878
where:
bonds (distance) C4'-P energy: -152.988
bonds (distance) P-C4' energy: -146.148
flat angles C4'-P-C4' energy: -162.733
flat angles P-C4'-P energy: -124.007
tors. eta vs tors. theta energy: -230.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2484.253203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.253203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.253203 (E_RNA)
where:
Base-Base interactions energy: -1712.794
where: short stacking energy: -750.432
Base-Backbone interact. energy: -3.899
local terms energy: -767.559716
where:
bonds (distance) C4'-P energy: -127.146
bonds (distance) P-C4' energy: -144.979
flat angles C4'-P-C4' energy: -165.117
flat angles P-C4'-P energy: -106.228
tors. eta vs tors. theta energy: -224.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2382.667057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.667057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.667057 (E_RNA)
where:
Base-Base interactions energy: -1621.191
where: short stacking energy: -699.093
Base-Backbone interact. energy: -2.183
local terms energy: -759.293389
where:
bonds (distance) C4'-P energy: -141.586
bonds (distance) P-C4' energy: -151.486
flat angles C4'-P-C4' energy: -154.564
flat angles P-C4'-P energy: -105.811
tors. eta vs tors. theta energy: -205.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2366.408302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.408302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.408302 (E_RNA)
where:
Base-Base interactions energy: -1662.913
where: short stacking energy: -690.739
Base-Backbone interact. energy: -4.066
local terms energy: -699.429350
where:
bonds (distance) C4'-P energy: -123.705
bonds (distance) P-C4' energy: -142.545
flat angles C4'-P-C4' energy: -140.500
flat angles P-C4'-P energy: -95.838
tors. eta vs tors. theta energy: -196.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2064.020299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.020299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.020299 (E_RNA)
where:
Base-Base interactions energy: -1378.175
where: short stacking energy: -601.807
Base-Backbone interact. energy: -5.391
local terms energy: -680.454644
where:
bonds (distance) C4'-P energy: -134.257
bonds (distance) P-C4' energy: -130.339
flat angles C4'-P-C4' energy: -149.333
flat angles P-C4'-P energy: -89.768
tors. eta vs tors. theta energy: -176.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1882.148427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.148427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.148427 (E_RNA)
where:
Base-Base interactions energy: -1258.622
where: short stacking energy: -558.705
Base-Backbone interact. energy: -2.165
local terms energy: -621.361692
where:
bonds (distance) C4'-P energy: -125.203
bonds (distance) P-C4' energy: -131.158
flat angles C4'-P-C4' energy: -147.783
flat angles P-C4'-P energy: -90.245
tors. eta vs tors. theta energy: -126.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1591.978118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.978118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.978118 (E_RNA)
where:
Base-Base interactions energy: -1038.404
where: short stacking energy: -468.824
Base-Backbone interact. energy: 2.282
local terms energy: -555.855390
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -139.589
flat angles C4'-P-C4' energy: -127.672
flat angles P-C4'-P energy: -67.553
tors. eta vs tors. theta energy: -117.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1413.060461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.060461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.060461 (E_RNA)
where:
Base-Base interactions energy: -894.673
where: short stacking energy: -417.553
Base-Backbone interact. energy: 1.865
local terms energy: -520.252607
where:
bonds (distance) C4'-P energy: -92.101
bonds (distance) P-C4' energy: -131.261
flat angles C4'-P-C4' energy: -128.674
flat angles P-C4'-P energy: -84.380
tors. eta vs tors. theta energy: -83.838
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: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1162.266902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.266902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.266902 (E_RNA)
where:
Base-Base interactions energy: -697.021
where: short stacking energy: -341.732
Base-Backbone interact. energy: -0.727
local terms energy: -464.519478
where:
bonds (distance) C4'-P energy: -105.195
bonds (distance) P-C4' energy: -119.609
flat angles C4'-P-C4' energy: -110.059
flat angles P-C4'-P energy: -83.283
tors. eta vs tors. theta energy: -46.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -854.337887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.337887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.337887 (E_RNA)
where:
Base-Base interactions energy: -475.896
where: short stacking energy: -245.646
Base-Backbone interact. energy: 1.439
local terms energy: -379.880650
where:
bonds (distance) C4'-P energy: -108.542
bonds (distance) P-C4' energy: -95.468
flat angles C4'-P-C4' energy: -113.040
flat angles P-C4'-P energy: -65.475
tors. eta vs tors. theta energy: 2.645
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: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2572.615871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.615871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.615871 (E_RNA)
where:
Base-Base interactions energy: -1792.263
where: short stacking energy: -756.701
Base-Backbone interact. energy: 0.218
local terms energy: -780.570799
where:
bonds (distance) C4'-P energy: -140.362
bonds (distance) P-C4' energy: -137.434
flat angles C4'-P-C4' energy: -152.370
flat angles P-C4'-P energy: -119.624
tors. eta vs tors. theta energy: -230.780
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: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2519.496234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.496234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.496234 (E_RNA)
where:
Base-Base interactions energy: -1750.689
where: short stacking energy: -723.834
Base-Backbone interact. energy: -0.057
local terms energy: -768.750621
where:
bonds (distance) C4'-P energy: -133.452
bonds (distance) P-C4' energy: -136.140
flat angles C4'-P-C4' energy: -159.106
flat angles P-C4'-P energy: -114.031
tors. eta vs tors. theta energy: -226.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2374.379737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.379737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.379737 (E_RNA)
where:
Base-Base interactions energy: -1620.990
where: short stacking energy: -688.507
Base-Backbone interact. energy: -2.689
local terms energy: -750.700913
where:
bonds (distance) C4'-P energy: -127.656
bonds (distance) P-C4' energy: -143.312
flat angles C4'-P-C4' energy: -147.624
flat angles P-C4'-P energy: -117.568
tors. eta vs tors. theta energy: -214.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2350.993073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.993073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.993073 (E_RNA)
where:
Base-Base interactions energy: -1658.305
where: short stacking energy: -674.417
Base-Backbone interact. energy: -0.028
local terms energy: -692.660261
where:
bonds (distance) C4'-P energy: -128.036
bonds (distance) P-C4' energy: -128.742
flat angles C4'-P-C4' energy: -146.737
flat angles P-C4'-P energy: -99.669
tors. eta vs tors. theta energy: -189.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2106.495799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.495799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.495799 (E_RNA)
where:
Base-Base interactions energy: -1452.267
where: short stacking energy: -618.508
Base-Backbone interact. energy: -2.789
local terms energy: -651.440087
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -135.056
flat angles C4'-P-C4' energy: -139.438
flat angles P-C4'-P energy: -89.886
tors. eta vs tors. theta energy: -165.791
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: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1883.452780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.452780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.452780 (E_RNA)
where:
Base-Base interactions energy: -1284.427
where: short stacking energy: -557.290
Base-Backbone interact. energy: 1.780
local terms energy: -600.804912
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -130.995
flat angles C4'-P-C4' energy: -141.812
flat angles P-C4'-P energy: -83.588
tors. eta vs tors. theta energy: -136.275
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: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1618.597566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.597566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.597566 (E_RNA)
where:
Base-Base interactions energy: -1069.243
where: short stacking energy: -471.509
Base-Backbone interact. energy: -3.468
local terms energy: -545.886597
where:
bonds (distance) C4'-P energy: -118.913
bonds (distance) P-C4' energy: -124.655
flat angles C4'-P-C4' energy: -122.176
flat angles P-C4'-P energy: -63.028
tors. eta vs tors. theta energy: -117.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1379.133902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.133902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.133902 (E_RNA)
where:
Base-Base interactions energy: -846.742
where: short stacking energy: -379.119
Base-Backbone interact. energy: -0.706
local terms energy: -531.686411
where:
bonds (distance) C4'-P energy: -108.667
bonds (distance) P-C4' energy: -152.164
flat angles C4'-P-C4' energy: -130.278
flat angles P-C4'-P energy: -55.930
tors. eta vs tors. theta energy: -84.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1122.809044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.809044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.809044 (E_RNA)
where:
Base-Base interactions energy: -686.401
where: short stacking energy: -331.271
Base-Backbone interact. energy: 0.509
local terms energy: -436.916799
where:
bonds (distance) C4'-P energy: -122.631
bonds (distance) P-C4' energy: -100.229
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -56.811
tors. eta vs tors. theta energy: -42.438
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: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -844.043627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.043627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.043627 (E_RNA)
where:
Base-Base interactions energy: -449.512
where: short stacking energy: -229.515
Base-Backbone interact. energy: 3.232
local terms energy: -397.764394
where:
bonds (distance) C4'-P energy: -98.356
bonds (distance) P-C4' energy: -118.408
flat angles C4'-P-C4' energy: -97.844
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2598.156941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.156941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.156941 (E_RNA)
where:
Base-Base interactions energy: -1827.737
where: short stacking energy: -765.743
Base-Backbone interact. energy: -5.719
local terms energy: -764.701316
where:
bonds (distance) C4'-P energy: -124.936
bonds (distance) P-C4' energy: -133.218
flat angles C4'-P-C4' energy: -168.009
flat angles P-C4'-P energy: -110.607
tors. eta vs tors. theta energy: -227.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2486.624606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.624606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.624606 (E_RNA)
where:
Base-Base interactions energy: -1700.800
where: short stacking energy: -733.522
Base-Backbone interact. energy: -5.208
local terms energy: -780.616939
where:
bonds (distance) C4'-P energy: -133.437
bonds (distance) P-C4' energy: -145.082
flat angles C4'-P-C4' energy: -167.073
flat angles P-C4'-P energy: -112.795
tors. eta vs tors. theta energy: -222.230
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: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2397.439802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.439802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.439802 (E_RNA)
where:
Base-Base interactions energy: -1651.415
where: short stacking energy: -718.414
Base-Backbone interact. energy: -6.455
local terms energy: -739.569310
where:
bonds (distance) C4'-P energy: -131.837
bonds (distance) P-C4' energy: -142.714
flat angles C4'-P-C4' energy: -154.309
flat angles P-C4'-P energy: -96.196
tors. eta vs tors. theta energy: -214.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2300.755448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.755448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.755448 (E_RNA)
where:
Base-Base interactions energy: -1599.792
where: short stacking energy: -641.879
Base-Backbone interact. energy: -0.874
local terms energy: -700.089383
where:
bonds (distance) C4'-P energy: -127.788
bonds (distance) P-C4' energy: -136.510
flat angles C4'-P-C4' energy: -144.058
flat angles P-C4'-P energy: -95.845
tors. eta vs tors. theta energy: -195.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2180.752246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.752246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.752246 (E_RNA)
where:
Base-Base interactions energy: -1498.550
where: short stacking energy: -635.290
Base-Backbone interact. energy: -2.981
local terms energy: -679.221308
where:
bonds (distance) C4'-P energy: -128.730
bonds (distance) P-C4' energy: -122.637
flat angles C4'-P-C4' energy: -135.789
flat angles P-C4'-P energy: -91.714
tors. eta vs tors. theta energy: -200.353
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: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1834.023592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.023592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.023592 (E_RNA)
where:
Base-Base interactions energy: -1246.985
where: short stacking energy: -525.465
Base-Backbone interact. energy: -4.285
local terms energy: -582.753013
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -128.674
flat angles C4'-P-C4' energy: -128.407
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -142.479
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: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1640.220896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.220896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.220896 (E_RNA)
where:
Base-Base interactions energy: -1086.688
where: short stacking energy: -504.650
Base-Backbone interact. energy: -3.540
local terms energy: -549.993263
where:
bonds (distance) C4'-P energy: -107.253
bonds (distance) P-C4' energy: -119.291
flat angles C4'-P-C4' energy: -133.136
flat angles P-C4'-P energy: -72.733
tors. eta vs tors. theta energy: -117.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1396.025614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.025614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.025614 (E_RNA)
where:
Base-Base interactions energy: -888.859
where: short stacking energy: -434.745
Base-Backbone interact. energy: -0.751
local terms energy: -506.415580
where:
bonds (distance) C4'-P energy: -111.733
bonds (distance) P-C4' energy: -105.593
flat angles C4'-P-C4' energy: -125.440
flat angles P-C4'-P energy: -79.698
tors. eta vs tors. theta energy: -83.951
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: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1148.464458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.464458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.464458 (E_RNA)
where:
Base-Base interactions energy: -702.652
where: short stacking energy: -317.255
Base-Backbone interact. energy: -0.808
local terms energy: -445.005152
where:
bonds (distance) C4'-P energy: -111.340
bonds (distance) P-C4' energy: -114.947
flat angles C4'-P-C4' energy: -103.387
flat angles P-C4'-P energy: -76.913
tors. eta vs tors. theta energy: -38.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -856.160947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.160947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.160947 (E_RNA)
where:
Base-Base interactions energy: -450.979
where: short stacking energy: -248.432
Base-Backbone interact. energy: -4.044
local terms energy: -401.138013
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -83.237
flat angles C4'-P-C4' energy: -120.025
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2561.268050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.268050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.268050 (E_RNA)
where:
Base-Base interactions energy: -1778.825
where: short stacking energy: -759.274
Base-Backbone interact. energy: -1.455
local terms energy: -780.988717
where:
bonds (distance) C4'-P energy: -144.945
bonds (distance) P-C4' energy: -142.553
flat angles C4'-P-C4' energy: -160.607
flat angles P-C4'-P energy: -106.453
tors. eta vs tors. theta energy: -226.431
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2509.236318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.236318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.236318 (E_RNA)
where:
Base-Base interactions energy: -1743.692
where: short stacking energy: -768.984
Base-Backbone interact. energy: -0.472
local terms energy: -765.071958
where:
bonds (distance) C4'-P energy: -131.735
bonds (distance) P-C4' energy: -135.304
flat angles C4'-P-C4' energy: -163.730
flat angles P-C4'-P energy: -103.877
tors. eta vs tors. theta energy: -230.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2376.809463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.809463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.809463 (E_RNA)
where:
Base-Base interactions energy: -1654.035
where: short stacking energy: -682.642
Base-Backbone interact. energy: -0.668
local terms energy: -722.107101
where:
bonds (distance) C4'-P energy: -149.105
bonds (distance) P-C4' energy: -126.901
flat angles C4'-P-C4' energy: -159.887
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -196.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2350.086747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.086747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.086747 (E_RNA)
where:
Base-Base interactions energy: -1644.769
where: short stacking energy: -702.018
Base-Backbone interact. energy: -2.270
local terms energy: -703.048223
where:
bonds (distance) C4'-P energy: -123.869
bonds (distance) P-C4' energy: -129.787
flat angles C4'-P-C4' energy: -160.831
flat angles P-C4'-P energy: -80.834
tors. eta vs tors. theta energy: -207.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2165.830079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.830079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.830079 (E_RNA)
where:
Base-Base interactions energy: -1492.992
where: short stacking energy: -620.260
Base-Backbone interact. energy: -0.359
local terms energy: -672.478146
where:
bonds (distance) C4'-P energy: -132.573
bonds (distance) P-C4' energy: -120.904
flat angles C4'-P-C4' energy: -136.510
flat angles P-C4'-P energy: -103.682
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: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1803.749114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.749114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.749114 (E_RNA)
where:
Base-Base interactions energy: -1215.271
where: short stacking energy: -535.253
Base-Backbone interact. energy: 3.880
local terms energy: -592.357887
where:
bonds (distance) C4'-P energy: -110.053
bonds (distance) P-C4' energy: -119.586
flat angles C4'-P-C4' energy: -136.023
flat angles P-C4'-P energy: -96.017
tors. eta vs tors. theta energy: -130.679
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: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1666.546936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.546936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.546936 (E_RNA)
where:
Base-Base interactions energy: -1097.771
where: short stacking energy: -463.874
Base-Backbone interact. energy: 1.240
local terms energy: -570.016186
where:
bonds (distance) C4'-P energy: -118.107
bonds (distance) P-C4' energy: -122.514
flat angles C4'-P-C4' energy: -121.961
flat angles P-C4'-P energy: -87.417
tors. eta vs tors. theta energy: -120.017
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: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1446.283471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.283471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.283471 (E_RNA)
where:
Base-Base interactions energy: -964.674
where: short stacking energy: -429.120
Base-Backbone interact. energy: 2.545
local terms energy: -484.154599
where:
bonds (distance) C4'-P energy: -109.323
bonds (distance) P-C4' energy: -120.795
flat angles C4'-P-C4' energy: -122.267
flat angles P-C4'-P energy: -59.165
tors. eta vs tors. theta energy: -72.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1155.438487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.438487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.438487 (E_RNA)
where:
Base-Base interactions energy: -671.848
where: short stacking energy: -326.753
Base-Backbone interact. energy: -2.711
local terms energy: -480.880006
where:
bonds (distance) C4'-P energy: -128.673
bonds (distance) P-C4' energy: -124.999
flat angles C4'-P-C4' energy: -106.827
flat angles P-C4'-P energy: -64.540
tors. eta vs tors. theta energy: -55.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -887.816254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.816254 (E_RNA)
where:
Base-Base interactions energy: -464.037
where: short stacking energy: -259.188
Base-Backbone interact. energy: -1.641
local terms energy: -422.138801
where:
bonds (distance) C4'-P energy: -99.412
bonds (distance) P-C4' energy: -124.310
flat angles C4'-P-C4' energy: -91.866
flat angles P-C4'-P energy: -78.021
tors. eta vs tors. theta energy: -28.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2571.292415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.292415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.292415 (E_RNA)
where:
Base-Base interactions energy: -1796.508
where: short stacking energy: -748.742
Base-Backbone interact. energy: -5.586
local terms energy: -769.197789
where:
bonds (distance) C4'-P energy: -128.696
bonds (distance) P-C4' energy: -139.821
flat angles C4'-P-C4' energy: -159.791
flat angles P-C4'-P energy: -109.527
tors. eta vs tors. theta energy: -231.363
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: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2515.755948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.755948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.755948 (E_RNA)
where:
Base-Base interactions energy: -1741.229
where: short stacking energy: -734.900
Base-Backbone interact. energy: -3.235
local terms energy: -771.292134
where:
bonds (distance) C4'-P energy: -144.286
bonds (distance) P-C4' energy: -143.596
flat angles C4'-P-C4' energy: -156.041
flat angles P-C4'-P energy: -108.784
tors. eta vs tors. theta energy: -218.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2426.380940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.380940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.380940 (E_RNA)
where:
Base-Base interactions energy: -1708.604
where: short stacking energy: -714.923
Base-Backbone interact. energy: -4.944
local terms energy: -712.832718
where:
bonds (distance) C4'-P energy: -114.239
bonds (distance) P-C4' energy: -148.045
flat angles C4'-P-C4' energy: -155.766
flat angles P-C4'-P energy: -95.453
tors. eta vs tors. theta energy: -199.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2361.622524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.622524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.622524 (E_RNA)
where:
Base-Base interactions energy: -1642.837
where: short stacking energy: -695.999
Base-Backbone interact. energy: -2.432
local terms energy: -716.353107
where:
bonds (distance) C4'-P energy: -129.744
bonds (distance) P-C4' energy: -136.557
flat angles C4'-P-C4' energy: -157.829
flat angles P-C4'-P energy: -94.246
tors. eta vs tors. theta energy: -197.976
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2122.796876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.796876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.796876 (E_RNA)
where:
Base-Base interactions energy: -1483.028
where: short stacking energy: -619.530
Base-Backbone interact. energy: 1.351
local terms energy: -641.119603
where:
bonds (distance) C4'-P energy: -114.483
bonds (distance) P-C4' energy: -120.022
flat angles C4'-P-C4' energy: -140.054
flat angles P-C4'-P energy: -89.095
tors. eta vs tors. theta energy: -177.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1795.430703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.430703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.430703 (E_RNA)
where:
Base-Base interactions energy: -1198.815
where: short stacking energy: -519.521
Base-Backbone interact. energy: 0.441
local terms energy: -597.056827
where:
bonds (distance) C4'-P energy: -121.224
bonds (distance) P-C4' energy: -119.103
flat angles C4'-P-C4' energy: -132.633
flat angles P-C4'-P energy: -88.013
tors. eta vs tors. theta energy: -136.083
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: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1629.360580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.360580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.360580 (E_RNA)
where:
Base-Base interactions energy: -1074.189
where: short stacking energy: -456.015
Base-Backbone interact. energy: 1.736
local terms energy: -556.908077
where:
bonds (distance) C4'-P energy: -103.897
bonds (distance) P-C4' energy: -131.693
flat angles C4'-P-C4' energy: -127.760
flat angles P-C4'-P energy: -83.021
tors. eta vs tors. theta energy: -110.537
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: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1463.963186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.963186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.963186 (E_RNA)
where:
Base-Base interactions energy: -922.807
where: short stacking energy: -426.074
Base-Backbone interact. energy: 1.789
local terms energy: -542.945764
where:
bonds (distance) C4'-P energy: -113.540
bonds (distance) P-C4' energy: -118.466
flat angles C4'-P-C4' energy: -124.540
flat angles P-C4'-P energy: -84.765
tors. eta vs tors. theta energy: -101.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1117.155270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.155270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.155270 (E_RNA)
where:
Base-Base interactions energy: -691.012
where: short stacking energy: -321.588
Base-Backbone interact. energy: -1.474
local terms energy: -424.668917
where:
bonds (distance) C4'-P energy: -103.664
bonds (distance) P-C4' energy: -121.596
flat angles C4'-P-C4' energy: -95.489
flat angles P-C4'-P energy: -58.555
tors. eta vs tors. theta energy: -45.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -878.375965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.375965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.375965 (E_RNA)
where:
Base-Base interactions energy: -499.067
where: short stacking energy: -241.169
Base-Backbone interact. energy: 5.850
local terms energy: -385.159639
where:
bonds (distance) C4'-P energy: -115.203
bonds (distance) P-C4' energy: -114.787
flat angles C4'-P-C4' energy: -91.145
flat angles P-C4'-P energy: -58.991
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2588.878375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.878375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.878375 (E_RNA)
where:
Base-Base interactions energy: -1791.640
where: short stacking energy: -730.011
Base-Backbone interact. energy: -5.288
local terms energy: -791.949921
where:
bonds (distance) C4'-P energy: -140.685
bonds (distance) P-C4' energy: -136.562
flat angles C4'-P-C4' energy: -160.514
flat angles P-C4'-P energy: -123.375
tors. eta vs tors. theta energy: -230.814
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: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2526.409815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.409815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.409815 (E_RNA)
where:
Base-Base interactions energy: -1750.179
where: short stacking energy: -746.724
Base-Backbone interact. energy: -4.845
local terms energy: -771.385506
where:
bonds (distance) C4'-P energy: -133.584
bonds (distance) P-C4' energy: -140.150
flat angles C4'-P-C4' energy: -160.603
flat angles P-C4'-P energy: -108.675
tors. eta vs tors. theta energy: -228.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2391.963023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.963023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.963023 (E_RNA)
where:
Base-Base interactions energy: -1642.207
where: short stacking energy: -705.109
Base-Backbone interact. energy: -2.557
local terms energy: -747.199300
where:
bonds (distance) C4'-P energy: -147.926
bonds (distance) P-C4' energy: -137.373
flat angles C4'-P-C4' energy: -149.958
flat angles P-C4'-P energy: -104.564
tors. eta vs tors. theta energy: -207.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2322.298451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.298451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.298451 (E_RNA)
where:
Base-Base interactions energy: -1618.367
where: short stacking energy: -688.090
Base-Backbone interact. energy: -0.791
local terms energy: -703.139635
where:
bonds (distance) C4'-P energy: -110.427
bonds (distance) P-C4' energy: -136.850
flat angles C4'-P-C4' energy: -154.797
flat angles P-C4'-P energy: -101.400
tors. eta vs tors. theta energy: -199.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2139.110946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.110946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.110946 (E_RNA)
where:
Base-Base interactions energy: -1470.412
where: short stacking energy: -615.893
Base-Backbone interact. energy: -0.641
local terms energy: -668.058504
where:
bonds (distance) C4'-P energy: -113.486
bonds (distance) P-C4' energy: -131.719
flat angles C4'-P-C4' energy: -142.156
flat angles P-C4'-P energy: -94.393
tors. eta vs tors. theta energy: -186.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1824.406529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.406529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.406529 (E_RNA)
where:
Base-Base interactions energy: -1251.004
where: short stacking energy: -555.741
Base-Backbone interact. energy: -0.153
local terms energy: -573.249954
where:
bonds (distance) C4'-P energy: -113.984
bonds (distance) P-C4' energy: -127.936
flat angles C4'-P-C4' energy: -128.907
flat angles P-C4'-P energy: -71.165
tors. eta vs tors. theta energy: -131.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1664.580200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.580200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.580200 (E_RNA)
where:
Base-Base interactions energy: -1123.025
where: short stacking energy: -504.433
Base-Backbone interact. energy: -4.599
local terms energy: -536.956353
where:
bonds (distance) C4'-P energy: -105.123
bonds (distance) P-C4' energy: -115.570
flat angles C4'-P-C4' energy: -116.479
flat angles P-C4'-P energy: -81.024
tors. eta vs tors. theta energy: -118.760
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: 452
Temperature: 1.250000
Total energy: -1440.756296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.756296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.756296 (E_RNA)
where:
Base-Base interactions energy: -906.660
where: short stacking energy: -440.216
Base-Backbone interact. energy: -3.770
local terms energy: -530.326197
where:
bonds (distance) C4'-P energy: -120.873
bonds (distance) P-C4' energy: -114.343
flat angles C4'-P-C4' energy: -125.737
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -86.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1157.757531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.757531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.757531 (E_RNA)
where:
Base-Base interactions energy: -689.208
where: short stacking energy: -332.703
Base-Backbone interact. energy: -3.709
local terms energy: -464.839865
where:
bonds (distance) C4'-P energy: -109.947
bonds (distance) P-C4' energy: -114.443
flat angles C4'-P-C4' energy: -116.404
flat angles P-C4'-P energy: -66.829
tors. eta vs tors. theta energy: -57.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -900.130316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.130316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.130316 (E_RNA)
where:
Base-Base interactions energy: -480.597
where: short stacking energy: -253.096
Base-Backbone interact. energy: -0.113
local terms energy: -419.420580
where:
bonds (distance) C4'-P energy: -91.179
bonds (distance) P-C4' energy: -117.390
flat angles C4'-P-C4' energy: -126.265
flat angles P-C4'-P energy: -64.735
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2555.492933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.492933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.492933 (E_RNA)
where:
Base-Base interactions energy: -1772.323
where: short stacking energy: -776.234
Base-Backbone interact. energy: -1.027
local terms energy: -782.142790
where:
bonds (distance) C4'-P energy: -133.243
bonds (distance) P-C4' energy: -145.537
flat angles C4'-P-C4' energy: -163.478
flat angles P-C4'-P energy: -106.528
tors. eta vs tors. theta energy: -233.357
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: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2485.361600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.361600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.361600 (E_RNA)
where:
Base-Base interactions energy: -1707.690
where: short stacking energy: -726.154
Base-Backbone interact. energy: -4.308
local terms energy: -773.363323
where:
bonds (distance) C4'-P energy: -137.727
bonds (distance) P-C4' energy: -129.009
flat angles C4'-P-C4' energy: -169.993
flat angles P-C4'-P energy: -113.559
tors. eta vs tors. theta energy: -223.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2375.074814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.074814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.074814 (E_RNA)
where:
Base-Base interactions energy: -1655.885
where: short stacking energy: -691.821
Base-Backbone interact. energy: -3.893
local terms energy: -715.297025
where:
bonds (distance) C4'-P energy: -138.620
bonds (distance) P-C4' energy: -129.179
flat angles C4'-P-C4' energy: -152.314
flat angles P-C4'-P energy: -93.402
tors. eta vs tors. theta energy: -201.783
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: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2327.079265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.079265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.079265 (E_RNA)
where:
Base-Base interactions energy: -1625.222
where: short stacking energy: -680.358
Base-Backbone interact. energy: -1.446
local terms energy: -700.410880
where:
bonds (distance) C4'-P energy: -119.789
bonds (distance) P-C4' energy: -123.552
flat angles C4'-P-C4' energy: -159.715
flat angles P-C4'-P energy: -97.888
tors. eta vs tors. theta energy: -199.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2201.358414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.358414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.358414 (E_RNA)
where:
Base-Base interactions energy: -1547.750
where: short stacking energy: -661.553
Base-Backbone interact. energy: -3.388
local terms energy: -650.220350
where:
bonds (distance) C4'-P energy: -119.141
bonds (distance) P-C4' energy: -129.729
flat angles C4'-P-C4' energy: -144.037
flat angles P-C4'-P energy: -77.754
tors. eta vs tors. theta energy: -179.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1840.335678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.335678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.335678 (E_RNA)
where:
Base-Base interactions energy: -1211.314
where: short stacking energy: -557.187
Base-Backbone interact. energy: -3.880
local terms energy: -625.141458
where:
bonds (distance) C4'-P energy: -131.280
bonds (distance) P-C4' energy: -118.742
flat angles C4'-P-C4' energy: -132.638
flat angles P-C4'-P energy: -106.346
tors. eta vs tors. theta energy: -136.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1654.907338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.907338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.907338 (E_RNA)
where:
Base-Base interactions energy: -1093.813
where: short stacking energy: -496.764
Base-Backbone interact. energy: -3.458
local terms energy: -557.635516
where:
bonds (distance) C4'-P energy: -112.115
bonds (distance) P-C4' energy: -144.423
flat angles C4'-P-C4' energy: -115.488
flat angles P-C4'-P energy: -81.737
tors. eta vs tors. theta energy: -103.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1361.302265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.302265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.302265 (E_RNA)
where:
Base-Base interactions energy: -848.214
where: short stacking energy: -398.835
Base-Backbone interact. energy: -4.006
local terms energy: -509.082700
where:
bonds (distance) C4'-P energy: -113.407
bonds (distance) P-C4' energy: -114.167
flat angles C4'-P-C4' energy: -113.763
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -85.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1203.127606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.127606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.127606 (E_RNA)
where:
Base-Base interactions energy: -739.153
where: short stacking energy: -361.865
Base-Backbone interact. energy: -1.762
local terms energy: -462.212780
where:
bonds (distance) C4'-P energy: -107.976
bonds (distance) P-C4' energy: -137.793
flat angles C4'-P-C4' energy: -94.620
flat angles P-C4'-P energy: -77.861
tors. eta vs tors. theta energy: -43.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -845.277058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.277058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.277058 (E_RNA)
where:
Base-Base interactions energy: -444.739
where: short stacking energy: -260.347
Base-Backbone interact. energy: 6.619
local terms energy: -407.156219
where:
bonds (distance) C4'-P energy: -117.503
bonds (distance) P-C4' energy: -101.693
flat angles C4'-P-C4' energy: -101.521
flat angles P-C4'-P energy: -66.746
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2558.217651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.217651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.217651 (E_RNA)
where:
Base-Base interactions energy: -1792.664
where: short stacking energy: -754.509
Base-Backbone interact. energy: -3.944
local terms energy: -761.610290
where:
bonds (distance) C4'-P energy: -135.655
bonds (distance) P-C4' energy: -130.026
flat angles C4'-P-C4' energy: -173.148
flat angles P-C4'-P energy: -99.608
tors. eta vs tors. theta energy: -223.174
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: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2499.139312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.139312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.139312 (E_RNA)
where:
Base-Base interactions energy: -1706.730
where: short stacking energy: -747.281
Base-Backbone interact. energy: -5.605
local terms energy: -786.804416
where:
bonds (distance) C4'-P energy: -143.963
bonds (distance) P-C4' energy: -143.170
flat angles C4'-P-C4' energy: -161.420
flat angles P-C4'-P energy: -106.942
tors. eta vs tors. theta energy: -231.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2382.557524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.557524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.557524 (E_RNA)
where:
Base-Base interactions energy: -1640.511
where: short stacking energy: -687.253
Base-Backbone interact. energy: -5.412
local terms energy: -736.634117
where:
bonds (distance) C4'-P energy: -145.378
bonds (distance) P-C4' energy: -132.682
flat angles C4'-P-C4' energy: -152.134
flat angles P-C4'-P energy: -113.438
tors. eta vs tors. theta energy: -193.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2265.146449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.146449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.146449 (E_RNA)
where:
Base-Base interactions energy: -1587.925
where: short stacking energy: -690.478
Base-Backbone interact. energy: 4.211
local terms energy: -681.432434
where:
bonds (distance) C4'-P energy: -136.681
bonds (distance) P-C4' energy: -122.651
flat angles C4'-P-C4' energy: -138.921
flat angles P-C4'-P energy: -94.606
tors. eta vs tors. theta energy: -188.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2145.384988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.384988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.384988 (E_RNA)
where:
Base-Base interactions energy: -1470.842
where: short stacking energy: -607.329
Base-Backbone interact. energy: -0.785
local terms energy: -673.757818
where:
bonds (distance) C4'-P energy: -133.320
bonds (distance) P-C4' energy: -132.016
flat angles C4'-P-C4' energy: -148.424
flat angles P-C4'-P energy: -84.004
tors. eta vs tors. theta energy: -175.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1827.249902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.249902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.249902 (E_RNA)
where:
Base-Base interactions energy: -1209.632
where: short stacking energy: -517.886
Base-Backbone interact. energy: 0.361
local terms energy: -617.978722
where:
bonds (distance) C4'-P energy: -130.893
bonds (distance) P-C4' energy: -119.651
flat angles C4'-P-C4' energy: -141.719
flat angles P-C4'-P energy: -95.231
tors. eta vs tors. theta energy: -130.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1607.847684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.847684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.847684 (E_RNA)
where:
Base-Base interactions energy: -1079.059
where: short stacking energy: -461.859
Base-Backbone interact. energy: 0.738
local terms energy: -529.526875
where:
bonds (distance) C4'-P energy: -118.055
bonds (distance) P-C4' energy: -107.543
flat angles C4'-P-C4' energy: -127.973
flat angles P-C4'-P energy: -74.183
tors. eta vs tors. theta energy: -101.772
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: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1382.926775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.926775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.926775 (E_RNA)
where:
Base-Base interactions energy: -870.023
where: short stacking energy: -403.586
Base-Backbone interact. energy: -0.860
local terms energy: -512.044156
where:
bonds (distance) C4'-P energy: -140.274
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -108.918
flat angles P-C4'-P energy: -57.301
tors. eta vs tors. theta energy: -79.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1231.887822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.887822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.887822 (E_RNA)
where:
Base-Base interactions energy: -769.451
where: short stacking energy: -358.066
Base-Backbone interact. energy: 0.680
local terms energy: -463.116903
where:
bonds (distance) C4'-P energy: -89.966
bonds (distance) P-C4' energy: -112.896
flat angles C4'-P-C4' energy: -126.372
flat angles P-C4'-P energy: -75.128
tors. eta vs tors. theta energy: -58.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -858.082121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.082121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.082121 (E_RNA)
where:
Base-Base interactions energy: -466.615
where: short stacking energy: -244.150
Base-Backbone interact. energy: -0.225
local terms energy: -391.242041
where:
bonds (distance) C4'-P energy: -107.705
bonds (distance) P-C4' energy: -112.910
flat angles C4'-P-C4' energy: -95.255
flat angles P-C4'-P energy: -62.672
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2584.216177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.216177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.216177 (E_RNA)
where:
Base-Base interactions energy: -1798.889
where: short stacking energy: -762.628
Base-Backbone interact. energy: -4.299
local terms energy: -781.027776
where:
bonds (distance) C4'-P energy: -142.395
bonds (distance) P-C4' energy: -143.317
flat angles C4'-P-C4' energy: -166.924
flat angles P-C4'-P energy: -102.809
tors. eta vs tors. theta energy: -225.583
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: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2515.137527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.137527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.137527 (E_RNA)
where:
Base-Base interactions energy: -1727.261
where: short stacking energy: -734.491
Base-Backbone interact. energy: -4.445
local terms energy: -783.431101
where:
bonds (distance) C4'-P energy: -137.737
bonds (distance) P-C4' energy: -138.230
flat angles C4'-P-C4' energy: -164.934
flat angles P-C4'-P energy: -116.395
tors. eta vs tors. theta energy: -226.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2385.832397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.832397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.832397 (E_RNA)
where:
Base-Base interactions energy: -1666.086
where: short stacking energy: -674.208
Base-Backbone interact. energy: 3.036
local terms energy: -722.782254
where:
bonds (distance) C4'-P energy: -146.162
bonds (distance) P-C4' energy: -132.161
flat angles C4'-P-C4' energy: -149.268
flat angles P-C4'-P energy: -89.090
tors. eta vs tors. theta energy: -206.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2281.119025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.119025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.119025 (E_RNA)
where:
Base-Base interactions energy: -1605.369
where: short stacking energy: -678.829
Base-Backbone interact. energy: -2.706
local terms energy: -673.044437
where:
bonds (distance) C4'-P energy: -118.619
bonds (distance) P-C4' energy: -127.905
flat angles C4'-P-C4' energy: -155.825
flat angles P-C4'-P energy: -93.855
tors. eta vs tors. theta energy: -176.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2172.129835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.129835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.129835 (E_RNA)
where:
Base-Base interactions energy: -1487.657
where: short stacking energy: -641.834
Base-Backbone interact. energy: -1.779
local terms energy: -682.693491
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -122.639
flat angles C4'-P-C4' energy: -149.482
flat angles P-C4'-P energy: -103.267
tors. eta vs tors. theta energy: -182.439
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: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1843.422895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.422895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.422895 (E_RNA)
where:
Base-Base interactions energy: -1198.566
where: short stacking energy: -521.749
Base-Backbone interact. energy: -5.491
local terms energy: -639.366132
where:
bonds (distance) C4'-P energy: -123.742
bonds (distance) P-C4' energy: -129.218
flat angles C4'-P-C4' energy: -160.264
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -135.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1668.388125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.388125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.388125 (E_RNA)
where:
Base-Base interactions energy: -1090.629
where: short stacking energy: -481.418
Base-Backbone interact. energy: -0.261
local terms energy: -577.498673
where:
bonds (distance) C4'-P energy: -120.146
bonds (distance) P-C4' energy: -132.327
flat angles C4'-P-C4' energy: -121.261
flat angles P-C4'-P energy: -88.940
tors. eta vs tors. theta energy: -114.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1384.013515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.013515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.013515 (E_RNA)
where:
Base-Base interactions energy: -831.657
where: short stacking energy: -400.158
Base-Backbone interact. energy: 0.864
local terms energy: -553.220812
where:
bonds (distance) C4'-P energy: -111.568
bonds (distance) P-C4' energy: -125.498
flat angles C4'-P-C4' energy: -126.110
flat angles P-C4'-P energy: -96.065
tors. eta vs tors. theta energy: -93.980
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: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1191.732785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.732785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.732785 (E_RNA)
where:
Base-Base interactions energy: -736.822
where: short stacking energy: -336.105
Base-Backbone interact. energy: 0.046
local terms energy: -454.956973
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -130.924
flat angles C4'-P-C4' energy: -113.935
flat angles P-C4'-P energy: -48.315
tors. eta vs tors. theta energy: -54.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -853.622152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.622152 (E_RNA)
where:
Base-Base interactions energy: -442.826
where: short stacking energy: -251.479
Base-Backbone interact. energy: -1.124
local terms energy: -409.671857
where:
bonds (distance) C4'-P energy: -99.938
bonds (distance) P-C4' energy: -120.619
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -60.903
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: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2575.297182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.297182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.297182 (E_RNA)
where:
Base-Base interactions energy: -1772.325
where: short stacking energy: -756.880
Base-Backbone interact. energy: -5.383
local terms energy: -797.589701
where:
bonds (distance) C4'-P energy: -144.881
bonds (distance) P-C4' energy: -139.973
flat angles C4'-P-C4' energy: -167.058
flat angles P-C4'-P energy: -118.250
tors. eta vs tors. theta energy: -227.428
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: 456
Temperature: 0.950000
Total energy: -2501.117158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.117158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.117158 (E_RNA)
where:
Base-Base interactions energy: -1729.715
where: short stacking energy: -738.861
Base-Backbone interact. energy: -6.271
local terms energy: -765.131793
where:
bonds (distance) C4'-P energy: -125.380
bonds (distance) P-C4' energy: -147.234
flat angles C4'-P-C4' energy: -172.331
flat angles P-C4'-P energy: -101.600
tors. eta vs tors. theta energy: -218.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2381.525678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.525678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.525678 (E_RNA)
where:
Base-Base interactions energy: -1646.504
where: short stacking energy: -690.752
Base-Backbone interact. energy: -2.930
local terms energy: -732.091617
where:
bonds (distance) C4'-P energy: -132.996
bonds (distance) P-C4' energy: -127.640
flat angles C4'-P-C4' energy: -162.622
flat angles P-C4'-P energy: -97.263
tors. eta vs tors. theta energy: -211.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2341.844249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.844249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.844249 (E_RNA)
where:
Base-Base interactions energy: -1616.692
where: short stacking energy: -685.230
Base-Backbone interact. energy: -3.780
local terms energy: -721.372170
where:
bonds (distance) C4'-P energy: -119.434
bonds (distance) P-C4' energy: -138.603
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -109.809
tors. eta vs tors. theta energy: -196.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2140.538090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.538090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.538090 (E_RNA)
where:
Base-Base interactions energy: -1472.285
where: short stacking energy: -635.457
Base-Backbone interact. energy: -0.854
local terms energy: -667.399058
where:
bonds (distance) C4'-P energy: -133.184
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -137.474
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -192.411
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: 456
Temperature: 1.150000
Total energy: -1782.814589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.814589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.814589 (E_RNA)
where:
Base-Base interactions energy: -1153.577
where: short stacking energy: -525.157
Base-Backbone interact. energy: -0.344
local terms energy: -628.893332
where:
bonds (distance) C4'-P energy: -131.893
bonds (distance) P-C4' energy: -124.774
flat angles C4'-P-C4' energy: -147.491
flat angles P-C4'-P energy: -83.384
tors. eta vs tors. theta energy: -141.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1624.113832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.113832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.113832 (E_RNA)
where:
Base-Base interactions energy: -1060.576
where: short stacking energy: -460.487
Base-Backbone interact. energy: -3.549
local terms energy: -559.988687
where:
bonds (distance) C4'-P energy: -127.843
bonds (distance) P-C4' energy: -125.365
flat angles C4'-P-C4' energy: -127.705
flat angles P-C4'-P energy: -75.800
tors. eta vs tors. theta energy: -103.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1378.370131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.370131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.370131 (E_RNA)
where:
Base-Base interactions energy: -869.087
where: short stacking energy: -435.444
Base-Backbone interact. energy: -4.116
local terms energy: -505.166728
where:
bonds (distance) C4'-P energy: -99.861
bonds (distance) P-C4' energy: -120.512
flat angles C4'-P-C4' energy: -125.433
flat angles P-C4'-P energy: -75.388
tors. eta vs tors. theta energy: -83.971
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: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1212.294625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.294625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.294625 (E_RNA)
where:
Base-Base interactions energy: -722.211
where: short stacking energy: -329.346
Base-Backbone interact. energy: -1.346
local terms energy: -488.738544
where:
bonds (distance) C4'-P energy: -136.311
bonds (distance) P-C4' energy: -123.586
flat angles C4'-P-C4' energy: -110.581
flat angles P-C4'-P energy: -76.372
tors. eta vs tors. theta energy: -41.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -838.788104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.788104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.788104 (E_RNA)
where:
Base-Base interactions energy: -454.137
where: short stacking energy: -227.500
Base-Backbone interact. energy: -3.072
local terms energy: -381.579463
where:
bonds (distance) C4'-P energy: -105.444
bonds (distance) P-C4' energy: -116.221
flat angles C4'-P-C4' energy: -106.308
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2561.085861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.085861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.085861 (E_RNA)
where:
Base-Base interactions energy: -1754.543
where: short stacking energy: -750.176
Base-Backbone interact. energy: -4.174
local terms energy: -802.368135
where:
bonds (distance) C4'-P energy: -158.631
bonds (distance) P-C4' energy: -135.806
flat angles C4'-P-C4' energy: -158.311
flat angles P-C4'-P energy: -113.621
tors. eta vs tors. theta energy: -235.998
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2523.526554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.526554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.526554 (E_RNA)
where:
Base-Base interactions energy: -1746.695
where: short stacking energy: -727.584
Base-Backbone interact. energy: -3.533
local terms energy: -773.298518
where:
bonds (distance) C4'-P energy: -135.447
bonds (distance) P-C4' energy: -149.544
flat angles C4'-P-C4' energy: -156.943
flat angles P-C4'-P energy: -110.794
tors. eta vs tors. theta energy: -220.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2385.035598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.035598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.035598 (E_RNA)
where:
Base-Base interactions energy: -1644.301
where: short stacking energy: -698.862
Base-Backbone interact. energy: 0.305
local terms energy: -741.039447
where:
bonds (distance) C4'-P energy: -141.183
bonds (distance) P-C4' energy: -134.688
flat angles C4'-P-C4' energy: -161.938
flat angles P-C4'-P energy: -97.804
tors. eta vs tors. theta energy: -205.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2296.941465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.941465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.941465 (E_RNA)
where:
Base-Base interactions energy: -1581.363
where: short stacking energy: -643.315
Base-Backbone interact. energy: -1.826
local terms energy: -713.752656
where:
bonds (distance) C4'-P energy: -134.444
bonds (distance) P-C4' energy: -141.585
flat angles C4'-P-C4' energy: -153.674
flat angles P-C4'-P energy: -100.204
tors. eta vs tors. theta energy: -183.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2135.797174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.797174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.797174 (E_RNA)
where:
Base-Base interactions energy: -1448.862
where: short stacking energy: -637.612
Base-Backbone interact. energy: -3.096
local terms energy: -683.839287
where:
bonds (distance) C4'-P energy: -128.829
bonds (distance) P-C4' energy: -124.747
flat angles C4'-P-C4' energy: -142.624
flat angles P-C4'-P energy: -93.793
tors. eta vs tors. theta energy: -193.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1808.127607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.127607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.127607 (E_RNA)
where:
Base-Base interactions energy: -1183.616
where: short stacking energy: -524.473
Base-Backbone interact. energy: -0.558
local terms energy: -623.953194
where:
bonds (distance) C4'-P energy: -119.753
bonds (distance) P-C4' energy: -128.871
flat angles C4'-P-C4' energy: -140.947
flat angles P-C4'-P energy: -92.806
tors. eta vs tors. theta energy: -141.576
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: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1627.459638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.459638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.459638 (E_RNA)
where:
Base-Base interactions energy: -1092.408
where: short stacking energy: -479.356
Base-Backbone interact. energy: -0.513
local terms energy: -534.538194
where:
bonds (distance) C4'-P energy: -113.357
bonds (distance) P-C4' energy: -119.949
flat angles C4'-P-C4' energy: -126.469
flat angles P-C4'-P energy: -79.145
tors. eta vs tors. theta energy: -95.618
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: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1415.401763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.401763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.401763 (E_RNA)
where:
Base-Base interactions energy: -874.767
where: short stacking energy: -417.939
Base-Backbone interact. energy: 1.940
local terms energy: -542.574659
where:
bonds (distance) C4'-P energy: -113.588
bonds (distance) P-C4' energy: -140.150
flat angles C4'-P-C4' energy: -138.600
flat angles P-C4'-P energy: -73.217
tors. eta vs tors. theta energy: -77.021
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: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1222.646797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.646797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.646797 (E_RNA)
where:
Base-Base interactions energy: -749.644
where: short stacking energy: -342.250
Base-Backbone interact. energy: -3.139
local terms energy: -469.863533
where:
bonds (distance) C4'-P energy: -115.103
bonds (distance) P-C4' energy: -125.717
flat angles C4'-P-C4' energy: -105.706
flat angles P-C4'-P energy: -65.143
tors. eta vs tors. theta energy: -58.194
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: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -868.028520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.028520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.028520 (E_RNA)
where:
Base-Base interactions energy: -478.326
where: short stacking energy: -281.435
Base-Backbone interact. energy: -0.814
local terms energy: -388.888561
where:
bonds (distance) C4'-P energy: -98.295
bonds (distance) P-C4' energy: -114.189
flat angles C4'-P-C4' energy: -89.251
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -33.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2560.422142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.422142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.422142 (E_RNA)
where:
Base-Base interactions energy: -1753.574
where: short stacking energy: -749.527
Base-Backbone interact. energy: -4.435
local terms energy: -802.412630
where:
bonds (distance) C4'-P energy: -136.514
bonds (distance) P-C4' energy: -148.182
flat angles C4'-P-C4' energy: -171.041
flat angles P-C4'-P energy: -113.195
tors. eta vs tors. theta energy: -233.480
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: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2519.039047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.039047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.039047 (E_RNA)
where:
Base-Base interactions energy: -1745.844
where: short stacking energy: -755.074
Base-Backbone interact. energy: -1.958
local terms energy: -771.237854
where:
bonds (distance) C4'-P energy: -146.856
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -167.548
flat angles P-C4'-P energy: -105.970
tors. eta vs tors. theta energy: -221.360
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: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2413.531896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.531896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.531896 (E_RNA)
where:
Base-Base interactions energy: -1677.090
where: short stacking energy: -718.255
Base-Backbone interact. energy: -2.759
local terms energy: -733.683155
where:
bonds (distance) C4'-P energy: -123.429
bonds (distance) P-C4' energy: -139.700
flat angles C4'-P-C4' energy: -151.417
flat angles P-C4'-P energy: -109.972
tors. eta vs tors. theta energy: -209.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2324.345722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.345722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.345722 (E_RNA)
where:
Base-Base interactions energy: -1620.317
where: short stacking energy: -681.028
Base-Backbone interact. energy: -2.970
local terms energy: -701.058408
where:
bonds (distance) C4'-P energy: -133.166
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -147.735
flat angles P-C4'-P energy: -96.020
tors. eta vs tors. theta energy: -208.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2160.917467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.917467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.917467 (E_RNA)
where:
Base-Base interactions energy: -1493.515
where: short stacking energy: -625.962
Base-Backbone interact. energy: -1.712
local terms energy: -665.690351
where:
bonds (distance) C4'-P energy: -122.318
bonds (distance) P-C4' energy: -127.734
flat angles C4'-P-C4' energy: -143.579
flat angles P-C4'-P energy: -101.180
tors. eta vs tors. theta energy: -170.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1767.072717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.072717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.072717 (E_RNA)
where:
Base-Base interactions energy: -1192.910
where: short stacking energy: -517.435
Base-Backbone interact. energy: 2.452
local terms energy: -576.614902
where:
bonds (distance) C4'-P energy: -107.474
bonds (distance) P-C4' energy: -118.785
flat angles C4'-P-C4' energy: -133.151
flat angles P-C4'-P energy: -93.265
tors. eta vs tors. theta energy: -123.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1633.339505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.339505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.339505 (E_RNA)
where:
Base-Base interactions energy: -1069.982
where: short stacking energy: -480.562
Base-Backbone interact. energy: -2.079
local terms energy: -561.278424
where:
bonds (distance) C4'-P energy: -124.914
bonds (distance) P-C4' energy: -118.732
flat angles C4'-P-C4' energy: -137.000
flat angles P-C4'-P energy: -64.937
tors. eta vs tors. theta energy: -115.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1412.541538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.541538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.541538 (E_RNA)
where:
Base-Base interactions energy: -881.030
where: short stacking energy: -399.062
Base-Backbone interact. energy: -1.753
local terms energy: -529.759033
where:
bonds (distance) C4'-P energy: -118.163
bonds (distance) P-C4' energy: -125.885
flat angles C4'-P-C4' energy: -124.688
flat angles P-C4'-P energy: -70.813
tors. eta vs tors. theta energy: -90.209
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: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1191.952855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.952855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.952855 (E_RNA)
where:
Base-Base interactions energy: -732.223
where: short stacking energy: -345.358
Base-Backbone interact. energy: -1.065
local terms energy: -458.665550
where:
bonds (distance) C4'-P energy: -117.365
bonds (distance) P-C4' energy: -97.118
flat angles C4'-P-C4' energy: -129.051
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -46.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -851.174874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.174874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.174874 (E_RNA)
where:
Base-Base interactions energy: -451.060
where: short stacking energy: -263.470
Base-Backbone interact. energy: -0.832
local terms energy: -399.282839
where:
bonds (distance) C4'-P energy: -88.346
bonds (distance) P-C4' energy: -126.274
flat angles C4'-P-C4' energy: -115.221
flat angles P-C4'-P energy: -61.133
tors. eta vs tors. theta energy: -8.308
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: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2567.295812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.295812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.295812 (E_RNA)
where:
Base-Base interactions energy: -1802.263
where: short stacking energy: -776.514
Base-Backbone interact. energy: -2.053
local terms energy: -762.979895
where:
bonds (distance) C4'-P energy: -140.860
bonds (distance) P-C4' energy: -142.920
flat angles C4'-P-C4' energy: -165.189
flat angles P-C4'-P energy: -93.172
tors. eta vs tors. theta energy: -220.839
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: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2513.812069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.812069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.812069 (E_RNA)
where:
Base-Base interactions energy: -1747.521
where: short stacking energy: -752.754
Base-Backbone interact. energy: -4.920
local terms energy: -761.370714
where:
bonds (distance) C4'-P energy: -150.390
bonds (distance) P-C4' energy: -130.938
flat angles C4'-P-C4' energy: -162.819
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -227.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2419.958139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.958139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.958139 (E_RNA)
where:
Base-Base interactions energy: -1679.810
where: short stacking energy: -709.349
Base-Backbone interact. energy: 2.549
local terms energy: -742.698033
where:
bonds (distance) C4'-P energy: -134.754
bonds (distance) P-C4' energy: -135.938
flat angles C4'-P-C4' energy: -165.672
flat angles P-C4'-P energy: -93.451
tors. eta vs tors. theta energy: -212.883
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2300.217157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.217157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.217157 (E_RNA)
where:
Base-Base interactions energy: -1613.162
where: short stacking energy: -685.405
Base-Backbone interact. energy: -2.101
local terms energy: -684.954456
where:
bonds (distance) C4'-P energy: -115.833
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -158.050
flat angles P-C4'-P energy: -93.448
tors. eta vs tors. theta energy: -191.479
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: 459
Temperature: 1.100000
Total energy: -2162.236826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.236826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.236826 (E_RNA)
where:
Base-Base interactions energy: -1500.675
where: short stacking energy: -644.530
Base-Backbone interact. energy: 0.565
local terms energy: -662.126628
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -129.602
flat angles C4'-P-C4' energy: -147.066
flat angles P-C4'-P energy: -97.303
tors. eta vs tors. theta energy: -185.693
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: 459
Temperature: 1.150000
Total energy: -1742.419586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.419586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.419586 (E_RNA)
where:
Base-Base interactions energy: -1192.100
where: short stacking energy: -486.299
Base-Backbone interact. energy: -0.434
local terms energy: -549.885553
where:
bonds (distance) C4'-P energy: -102.195
bonds (distance) P-C4' energy: -127.586
flat angles C4'-P-C4' energy: -137.925
flat angles P-C4'-P energy: -70.084
tors. eta vs tors. theta energy: -112.096
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: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1784.742014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.742014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.742014 (E_RNA)
where:
Base-Base interactions energy: -1194.319
where: short stacking energy: -533.860
Base-Backbone interact. energy: -2.326
local terms energy: -588.096731
where:
bonds (distance) C4'-P energy: -115.689
bonds (distance) P-C4' energy: -132.316
flat angles C4'-P-C4' energy: -143.597
flat angles P-C4'-P energy: -65.625
tors. eta vs tors. theta energy: -130.870
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1397.116367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.116367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.116367 (E_RNA)
where:
Base-Base interactions energy: -902.449
where: short stacking energy: -408.233
Base-Backbone interact. energy: 6.003
local terms energy: -500.670726
where:
bonds (distance) C4'-P energy: -112.623
bonds (distance) P-C4' energy: -126.308
flat angles C4'-P-C4' energy: -112.290
flat angles P-C4'-P energy: -75.835
tors. eta vs tors. theta energy: -73.615
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1198.744137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.744137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.744137 (E_RNA)
where:
Base-Base interactions energy: -735.461
where: short stacking energy: -327.951
Base-Backbone interact. energy: -2.166
local terms energy: -461.117123
where:
bonds (distance) C4'-P energy: -123.743
bonds (distance) P-C4' energy: -114.811
flat angles C4'-P-C4' energy: -92.342
flat angles P-C4'-P energy: -72.950
tors. eta vs tors. theta energy: -57.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -861.219395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.219395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.219395 (E_RNA)
where:
Base-Base interactions energy: -462.882
where: short stacking energy: -271.735
Base-Backbone interact. energy: -1.284
local terms energy: -397.053708
where:
bonds (distance) C4'-P energy: -95.494
bonds (distance) P-C4' energy: -133.474
flat angles C4'-P-C4' energy: -92.623
flat angles P-C4'-P energy: -50.043
tors. eta vs tors. theta energy: -25.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2593.544688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.544688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.544688 (E_RNA)
where:
Base-Base interactions energy: -1802.632
where: short stacking energy: -800.966
Base-Backbone interact. energy: -2.946
local terms energy: -787.966933
where:
bonds (distance) C4'-P energy: -135.046
bonds (distance) P-C4' energy: -149.565
flat angles C4'-P-C4' energy: -162.315
flat angles P-C4'-P energy: -100.821
tors. eta vs tors. theta energy: -240.220
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2492.642975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.642975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.642975 (E_RNA)
where:
Base-Base interactions energy: -1732.834
where: short stacking energy: -757.878
Base-Backbone interact. energy: -1.038
local terms energy: -758.771292
where:
bonds (distance) C4'-P energy: -126.305
bonds (distance) P-C4' energy: -142.500
flat angles C4'-P-C4' energy: -162.464
flat angles P-C4'-P energy: -104.368
tors. eta vs tors. theta energy: -223.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2424.663825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.663825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.663825 (E_RNA)
where:
Base-Base interactions energy: -1656.271
where: short stacking energy: -704.659
Base-Backbone interact. energy: -0.824
local terms energy: -767.568500
where:
bonds (distance) C4'-P energy: -142.242
bonds (distance) P-C4' energy: -145.340
flat angles C4'-P-C4' energy: -157.608
flat angles P-C4'-P energy: -103.998
tors. eta vs tors. theta energy: -218.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2283.362637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.362637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.362637 (E_RNA)
where:
Base-Base interactions energy: -1597.212
where: short stacking energy: -667.852
Base-Backbone interact. energy: -1.606
local terms energy: -684.545353
where:
bonds (distance) C4'-P energy: -133.512
bonds (distance) P-C4' energy: -125.721
flat angles C4'-P-C4' energy: -149.711
flat angles P-C4'-P energy: -88.946
tors. eta vs tors. theta energy: -186.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2147.670035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.670035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.670035 (E_RNA)
where:
Base-Base interactions energy: -1457.876
where: short stacking energy: -642.988
Base-Backbone interact. energy: -0.606
local terms energy: -689.187608
where:
bonds (distance) C4'-P energy: -130.897
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -145.361
flat angles P-C4'-P energy: -108.635
tors. eta vs tors. theta energy: -176.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1794.150484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.150484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.150484 (E_RNA)
where:
Base-Base interactions energy: -1194.955
where: short stacking energy: -517.717
Base-Backbone interact. energy: 3.284
local terms energy: -602.479544
where:
bonds (distance) C4'-P energy: -114.247
bonds (distance) P-C4' energy: -123.851
flat angles C4'-P-C4' energy: -149.172
flat angles P-C4'-P energy: -85.065
tors. eta vs tors. theta energy: -130.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1793.445351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.445351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.445351 (E_RNA)
where:
Base-Base interactions energy: -1212.463
where: short stacking energy: -531.685
Base-Backbone interact. energy: -0.996
local terms energy: -579.986474
where:
bonds (distance) C4'-P energy: -117.982
bonds (distance) P-C4' energy: -115.931
flat angles C4'-P-C4' energy: -142.508
flat angles P-C4'-P energy: -65.417
tors. eta vs tors. theta energy: -138.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1403.576193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.576193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.576193 (E_RNA)
where:
Base-Base interactions energy: -905.895
where: short stacking energy: -422.096
Base-Backbone interact. energy: 0.205
local terms energy: -497.886403
where:
bonds (distance) C4'-P energy: -103.254
bonds (distance) P-C4' energy: -114.567
flat angles C4'-P-C4' energy: -119.347
flat angles P-C4'-P energy: -76.487
tors. eta vs tors. theta energy: -84.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1171.240641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.240641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.240641 (E_RNA)
where:
Base-Base interactions energy: -707.550
where: short stacking energy: -333.848
Base-Backbone interact. energy: -0.772
local terms energy: -462.918688
where:
bonds (distance) C4'-P energy: -129.039
bonds (distance) P-C4' energy: -112.215
flat angles C4'-P-C4' energy: -126.617
flat angles P-C4'-P energy: -58.048
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: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -860.793051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.793051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.793051 (E_RNA)
where:
Base-Base interactions energy: -495.102
where: short stacking energy: -250.852
Base-Backbone interact. energy: 6.774
local terms energy: -372.465555
where:
bonds (distance) C4'-P energy: -103.900
bonds (distance) P-C4' energy: -111.374
flat angles C4'-P-C4' energy: -97.432
flat angles P-C4'-P energy: -43.096
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2543.713806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.713806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.713806 (E_RNA)
where:
Base-Base interactions energy: -1759.154
where: short stacking energy: -745.608
Base-Backbone interact. energy: -4.731
local terms energy: -779.828599
where:
bonds (distance) C4'-P energy: -119.781
bonds (distance) P-C4' energy: -148.281
flat angles C4'-P-C4' energy: -168.075
flat angles P-C4'-P energy: -110.967
tors. eta vs tors. theta energy: -232.725
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: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2505.529883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.529883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.529883 (E_RNA)
where:
Base-Base interactions energy: -1737.887
where: short stacking energy: -723.916
Base-Backbone interact. energy: -2.557
local terms energy: -765.085801
where:
bonds (distance) C4'-P energy: -133.399
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -164.335
flat angles P-C4'-P energy: -107.547
tors. eta vs tors. theta energy: -214.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2425.379150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.379150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.379150 (E_RNA)
where:
Base-Base interactions energy: -1700.136
where: short stacking energy: -710.541
Base-Backbone interact. energy: -0.703
local terms energy: -724.540402
where:
bonds (distance) C4'-P energy: -128.440
bonds (distance) P-C4' energy: -134.396
flat angles C4'-P-C4' energy: -145.510
flat angles P-C4'-P energy: -108.722
tors. eta vs tors. theta energy: -207.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2300.700929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.700929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.700929 (E_RNA)
where:
Base-Base interactions energy: -1627.043
where: short stacking energy: -672.455
Base-Backbone interact. energy: -2.208
local terms energy: -671.450307
where:
bonds (distance) C4'-P energy: -126.645
bonds (distance) P-C4' energy: -138.637
flat angles C4'-P-C4' energy: -134.748
flat angles P-C4'-P energy: -101.622
tors. eta vs tors. theta energy: -169.797
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: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2149.474778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.474778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.474778 (E_RNA)
where:
Base-Base interactions energy: -1485.954
where: short stacking energy: -642.140
Base-Backbone interact. energy: -0.641
local terms energy: -662.879779
where:
bonds (distance) C4'-P energy: -133.348
bonds (distance) P-C4' energy: -122.653
flat angles C4'-P-C4' energy: -142.289
flat angles P-C4'-P energy: -88.155
tors. eta vs tors. theta energy: -176.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1764.645105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.645105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.645105 (E_RNA)
where:
Base-Base interactions energy: -1217.849
where: short stacking energy: -556.416
Base-Backbone interact. energy: 1.224
local terms energy: -548.019948
where:
bonds (distance) C4'-P energy: -104.648
bonds (distance) P-C4' energy: -118.053
flat angles C4'-P-C4' energy: -128.777
flat angles P-C4'-P energy: -73.266
tors. eta vs tors. theta energy: -123.277
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: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1747.736663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.736663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.736663 (E_RNA)
where:
Base-Base interactions energy: -1183.950
where: short stacking energy: -505.442
Base-Backbone interact. energy: -4.463
local terms energy: -559.323565
where:
bonds (distance) C4'-P energy: -110.843
bonds (distance) P-C4' energy: -119.218
flat angles C4'-P-C4' energy: -108.745
flat angles P-C4'-P energy: -92.190
tors. eta vs tors. theta energy: -128.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1401.067648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.067648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.067648 (E_RNA)
where:
Base-Base interactions energy: -867.549
where: short stacking energy: -388.786
Base-Backbone interact. energy: -2.317
local terms energy: -531.201694
where:
bonds (distance) C4'-P energy: -104.111
bonds (distance) P-C4' energy: -129.940
flat angles C4'-P-C4' energy: -114.710
flat angles P-C4'-P energy: -80.309
tors. eta vs tors. theta energy: -102.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1167.923662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.923662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.923662 (E_RNA)
where:
Base-Base interactions energy: -720.032
where: short stacking energy: -341.673
Base-Backbone interact. energy: 1.021
local terms energy: -448.912754
where:
bonds (distance) C4'-P energy: -113.855
bonds (distance) P-C4' energy: -127.257
flat angles C4'-P-C4' energy: -112.518
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -878.810443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.810443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.810443 (E_RNA)
where:
Base-Base interactions energy: -488.105
where: short stacking energy: -256.664
Base-Backbone interact. energy: -2.930
local terms energy: -387.775457
where:
bonds (distance) C4'-P energy: -101.858
bonds (distance) P-C4' energy: -123.435
flat angles C4'-P-C4' energy: -92.409
flat angles P-C4'-P energy: -51.832
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2569.408970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.408970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.408970 (E_RNA)
where:
Base-Base interactions energy: -1760.610
where: short stacking energy: -741.416
Base-Backbone interact. energy: -2.963
local terms energy: -805.835437
where:
bonds (distance) C4'-P energy: -149.450
bonds (distance) P-C4' energy: -151.192
flat angles C4'-P-C4' energy: -170.212
flat angles P-C4'-P energy: -104.120
tors. eta vs tors. theta energy: -230.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2487.337992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.337992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.337992 (E_RNA)
where:
Base-Base interactions energy: -1730.743
where: short stacking energy: -722.120
Base-Backbone interact. energy: -0.932
local terms energy: -755.663481
where:
bonds (distance) C4'-P energy: -133.110
bonds (distance) P-C4' energy: -141.002
flat angles C4'-P-C4' energy: -158.993
flat angles P-C4'-P energy: -110.066
tors. eta vs tors. theta energy: -212.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2428.803339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.803339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.803339 (E_RNA)
where:
Base-Base interactions energy: -1677.796
where: short stacking energy: -710.310
Base-Backbone interact. energy: -1.621
local terms energy: -749.386467
where:
bonds (distance) C4'-P energy: -131.585
bonds (distance) P-C4' energy: -138.055
flat angles C4'-P-C4' energy: -163.615
flat angles P-C4'-P energy: -107.484
tors. eta vs tors. theta energy: -208.648
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2311.334795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.334795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.334795 (E_RNA)
where:
Base-Base interactions energy: -1606.070
where: short stacking energy: -684.775
Base-Backbone interact. energy: 1.186
local terms energy: -706.450560
where:
bonds (distance) C4'-P energy: -134.562
bonds (distance) P-C4' energy: -131.327
flat angles C4'-P-C4' energy: -162.894
flat angles P-C4'-P energy: -88.575
tors. eta vs tors. theta energy: -189.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2163.155223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.155223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.155223 (E_RNA)
where:
Base-Base interactions energy: -1483.479
where: short stacking energy: -611.920
Base-Backbone interact. energy: -0.984
local terms energy: -678.692306
where:
bonds (distance) C4'-P energy: -123.890
bonds (distance) P-C4' energy: -139.713
flat angles C4'-P-C4' energy: -146.186
flat angles P-C4'-P energy: -84.546
tors. eta vs tors. theta energy: -184.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1823.835411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.835411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.835411 (E_RNA)
where:
Base-Base interactions energy: -1245.182
where: short stacking energy: -521.107
Base-Backbone interact. energy: -1.964
local terms energy: -576.688928
where:
bonds (distance) C4'-P energy: -116.385
bonds (distance) P-C4' energy: -120.035
flat angles C4'-P-C4' energy: -137.316
flat angles P-C4'-P energy: -78.951
tors. eta vs tors. theta energy: -124.003
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: 462
Temperature: 1.200000
Total energy: -1713.606855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.606855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.606855 (E_RNA)
where:
Base-Base interactions energy: -1155.591
where: short stacking energy: -484.405
Base-Backbone interact. energy: 1.662
local terms energy: -559.678293
where:
bonds (distance) C4'-P energy: -104.598
bonds (distance) P-C4' energy: -119.829
flat angles C4'-P-C4' energy: -122.735
flat angles P-C4'-P energy: -87.602
tors. eta vs tors. theta energy: -124.914
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1404.307873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.307873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.307873 (E_RNA)
where:
Base-Base interactions energy: -878.874
where: short stacking energy: -397.269
Base-Backbone interact. energy: 1.685
local terms energy: -527.118361
where:
bonds (distance) C4'-P energy: -117.088
bonds (distance) P-C4' energy: -122.340
flat angles C4'-P-C4' energy: -121.634
flat angles P-C4'-P energy: -84.766
tors. eta vs tors. theta energy: -81.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1159.532343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.532343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.532343 (E_RNA)
where:
Base-Base interactions energy: -717.909
where: short stacking energy: -349.220
Base-Backbone interact. energy: 0.477
local terms energy: -442.100273
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -117.516
flat angles C4'-P-C4' energy: -101.557
flat angles P-C4'-P energy: -61.379
tors. eta vs tors. theta energy: -54.936
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: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -887.979054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.979054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.979054 (E_RNA)
where:
Base-Base interactions energy: -474.072
where: short stacking energy: -261.307
Base-Backbone interact. energy: 1.665
local terms energy: -415.571921
where:
bonds (distance) C4'-P energy: -107.795
bonds (distance) P-C4' energy: -110.411
flat angles C4'-P-C4' energy: -102.032
flat angles P-C4'-P energy: -67.617
tors. eta vs tors. theta energy: -27.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2577.024343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.024343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.024343 (E_RNA)
where:
Base-Base interactions energy: -1795.270
where: short stacking energy: -758.909
Base-Backbone interact. energy: -1.274
local terms energy: -780.480100
where:
bonds (distance) C4'-P energy: -143.915
bonds (distance) P-C4' energy: -143.351
flat angles C4'-P-C4' energy: -159.977
flat angles P-C4'-P energy: -107.160
tors. eta vs tors. theta energy: -226.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2502.115769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.115769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.115769 (E_RNA)
where:
Base-Base interactions energy: -1742.997
where: short stacking energy: -732.588
Base-Backbone interact. energy: -1.176
local terms energy: -757.942883
where:
bonds (distance) C4'-P energy: -141.114
bonds (distance) P-C4' energy: -130.329
flat angles C4'-P-C4' energy: -156.736
flat angles P-C4'-P energy: -111.639
tors. eta vs tors. theta energy: -218.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2423.548322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.548322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.548322 (E_RNA)
where:
Base-Base interactions energy: -1692.591
where: short stacking energy: -714.322
Base-Backbone interact. energy: -0.089
local terms energy: -730.868481
where:
bonds (distance) C4'-P energy: -129.480
bonds (distance) P-C4' energy: -128.897
flat angles C4'-P-C4' energy: -163.513
flat angles P-C4'-P energy: -107.168
tors. eta vs tors. theta energy: -201.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2346.994396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.994396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.994396 (E_RNA)
where:
Base-Base interactions energy: -1629.644
where: short stacking energy: -701.625
Base-Backbone interact. energy: -4.278
local terms energy: -713.072530
where:
bonds (distance) C4'-P energy: -137.176
bonds (distance) P-C4' energy: -130.177
flat angles C4'-P-C4' energy: -148.468
flat angles P-C4'-P energy: -100.252
tors. eta vs tors. theta energy: -196.999
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: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2134.713450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.713450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.713450 (E_RNA)
where:
Base-Base interactions energy: -1492.681
where: short stacking energy: -626.013
Base-Backbone interact. energy: 0.650
local terms energy: -642.682308
where:
bonds (distance) C4'-P energy: -115.841
bonds (distance) P-C4' energy: -116.445
flat angles C4'-P-C4' energy: -142.490
flat angles P-C4'-P energy: -95.802
tors. eta vs tors. theta energy: -172.104
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: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1862.288430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.288430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.288430 (E_RNA)
where:
Base-Base interactions energy: -1258.470
where: short stacking energy: -541.141
Base-Backbone interact. energy: -0.507
local terms energy: -603.311507
where:
bonds (distance) C4'-P energy: -122.824
bonds (distance) P-C4' energy: -122.531
flat angles C4'-P-C4' energy: -154.216
flat angles P-C4'-P energy: -79.619
tors. eta vs tors. theta energy: -124.122
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: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1751.118868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.118868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.118868 (E_RNA)
where:
Base-Base interactions energy: -1167.958
where: short stacking energy: -510.084
Base-Backbone interact. energy: -2.197
local terms energy: -580.964535
where:
bonds (distance) C4'-P energy: -106.167
bonds (distance) P-C4' energy: -127.193
flat angles C4'-P-C4' energy: -123.709
flat angles P-C4'-P energy: -89.695
tors. eta vs tors. theta energy: -134.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1339.600069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.600069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.600069 (E_RNA)
where:
Base-Base interactions energy: -860.282
where: short stacking energy: -392.280
Base-Backbone interact. energy: -1.112
local terms energy: -478.206522
where:
bonds (distance) C4'-P energy: -96.397
bonds (distance) P-C4' energy: -132.151
flat angles C4'-P-C4' energy: -118.207
flat angles P-C4'-P energy: -75.915
tors. eta vs tors. theta energy: -55.536
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: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1160.854293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.854293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.854293 (E_RNA)
where:
Base-Base interactions energy: -722.387
where: short stacking energy: -347.948
Base-Backbone interact. energy: 0.076
local terms energy: -438.543155
where:
bonds (distance) C4'-P energy: -110.597
bonds (distance) P-C4' energy: -108.853
flat angles C4'-P-C4' energy: -120.645
flat angles P-C4'-P energy: -46.353
tors. eta vs tors. theta energy: -52.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -948.881588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.881588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.881588 (E_RNA)
where:
Base-Base interactions energy: -535.939
where: short stacking energy: -276.627
Base-Backbone interact. energy: 1.502
local terms energy: -414.444718
where:
bonds (distance) C4'-P energy: -100.856
bonds (distance) P-C4' energy: -115.908
flat angles C4'-P-C4' energy: -100.619
flat angles P-C4'-P energy: -67.897
tors. eta vs tors. theta energy: -29.165
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: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2555.655981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.655981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.655981 (E_RNA)
where:
Base-Base interactions energy: -1766.602
where: short stacking energy: -756.359
Base-Backbone interact. energy: -3.009
local terms energy: -786.045219
where:
bonds (distance) C4'-P energy: -139.766
bonds (distance) P-C4' energy: -144.696
flat angles C4'-P-C4' energy: -164.366
flat angles P-C4'-P energy: -109.862
tors. eta vs tors. theta energy: -227.355
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: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2498.836091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.836091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.836091 (E_RNA)
where:
Base-Base interactions energy: -1736.196
where: short stacking energy: -760.287
Base-Backbone interact. energy: -4.415
local terms energy: -758.225321
where:
bonds (distance) C4'-P energy: -134.168
bonds (distance) P-C4' energy: -137.814
flat angles C4'-P-C4' energy: -153.716
flat angles P-C4'-P energy: -108.876
tors. eta vs tors. theta energy: -223.651
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: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2394.462707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.462707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.462707 (E_RNA)
where:
Base-Base interactions energy: -1647.608
where: short stacking energy: -682.397
Base-Backbone interact. energy: 0.449
local terms energy: -747.303259
where:
bonds (distance) C4'-P energy: -137.087
bonds (distance) P-C4' energy: -141.626
flat angles C4'-P-C4' energy: -166.162
flat angles P-C4'-P energy: -104.732
tors. eta vs tors. theta energy: -197.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2320.286045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.286045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.286045 (E_RNA)
where:
Base-Base interactions energy: -1607.094
where: short stacking energy: -706.158
Base-Backbone interact. energy: -2.196
local terms energy: -710.996565
where:
bonds (distance) C4'-P energy: -123.556
bonds (distance) P-C4' energy: -137.430
flat angles C4'-P-C4' energy: -155.294
flat angles P-C4'-P energy: -87.738
tors. eta vs tors. theta energy: -206.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2160.277971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.277971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.277971 (E_RNA)
where:
Base-Base interactions energy: -1493.519
where: short stacking energy: -623.692
Base-Backbone interact. energy: 0.672
local terms energy: -667.430460
where:
bonds (distance) C4'-P energy: -129.230
bonds (distance) P-C4' energy: -131.551
flat angles C4'-P-C4' energy: -134.016
flat angles P-C4'-P energy: -93.660
tors. eta vs tors. theta energy: -178.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1865.144699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.144699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.144699 (E_RNA)
where:
Base-Base interactions energy: -1288.218
where: short stacking energy: -557.890
Base-Backbone interact. energy: -3.327
local terms energy: -573.599860
where:
bonds (distance) C4'-P energy: -118.030
bonds (distance) P-C4' energy: -121.004
flat angles C4'-P-C4' energy: -139.014
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -118.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1754.421558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.421558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.421558 (E_RNA)
where:
Base-Base interactions energy: -1151.523
where: short stacking energy: -497.447
Base-Backbone interact. energy: -1.943
local terms energy: -600.954864
where:
bonds (distance) C4'-P energy: -134.585
bonds (distance) P-C4' energy: -122.646
flat angles C4'-P-C4' energy: -128.402
flat angles P-C4'-P energy: -89.286
tors. eta vs tors. theta energy: -126.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1393.283852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.283852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.283852 (E_RNA)
where:
Base-Base interactions energy: -856.665
where: short stacking energy: -417.137
Base-Backbone interact. energy: -0.142
local terms energy: -536.476872
where:
bonds (distance) C4'-P energy: -118.526
bonds (distance) P-C4' energy: -126.794
flat angles C4'-P-C4' energy: -127.054
flat angles P-C4'-P energy: -74.412
tors. eta vs tors. theta energy: -89.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1106.641618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.641618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.641618 (E_RNA)
where:
Base-Base interactions energy: -663.849
where: short stacking energy: -334.768
Base-Backbone interact. energy: 2.471
local terms energy: -445.263177
where:
bonds (distance) C4'-P energy: -98.189
bonds (distance) P-C4' energy: -113.231
flat angles C4'-P-C4' energy: -115.814
flat angles P-C4'-P energy: -57.763
tors. eta vs tors. theta energy: -60.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -898.602516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.602516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.602516 (E_RNA)
where:
Base-Base interactions energy: -492.845
where: short stacking energy: -248.048
Base-Backbone interact. energy: 2.070
local terms energy: -407.827746
where:
bonds (distance) C4'-P energy: -109.806
bonds (distance) P-C4' energy: -105.909
flat angles C4'-P-C4' energy: -99.674
flat angles P-C4'-P energy: -63.882
tors. eta vs tors. theta energy: -28.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2571.196832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.196832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.196832 (E_RNA)
where:
Base-Base interactions energy: -1778.881
where: short stacking energy: -764.485
Base-Backbone interact. energy: -5.944
local terms energy: -786.371365
where:
bonds (distance) C4'-P energy: -134.780
bonds (distance) P-C4' energy: -151.332
flat angles C4'-P-C4' energy: -167.932
flat angles P-C4'-P energy: -101.066
tors. eta vs tors. theta energy: -231.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2475.252060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.252060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.252060 (E_RNA)
where:
Base-Base interactions energy: -1730.996
where: short stacking energy: -726.898
Base-Backbone interact. energy: -1.985
local terms energy: -742.270579
where:
bonds (distance) C4'-P energy: -134.558
bonds (distance) P-C4' energy: -138.263
flat angles C4'-P-C4' energy: -154.709
flat angles P-C4'-P energy: -97.085
tors. eta vs tors. theta energy: -217.656
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: 465
Temperature: 1.000000
Total energy: -2401.999731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.999731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.999731 (E_RNA)
where:
Base-Base interactions energy: -1678.820
where: short stacking energy: -735.674
Base-Backbone interact. energy: -3.624
local terms energy: -719.555965
where:
bonds (distance) C4'-P energy: -121.301
bonds (distance) P-C4' energy: -123.608
flat angles C4'-P-C4' energy: -159.237
flat angles P-C4'-P energy: -103.680
tors. eta vs tors. theta energy: -211.729
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2352.614721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.614721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.614721 (E_RNA)
where:
Base-Base interactions energy: -1644.659
where: short stacking energy: -717.350
Base-Backbone interact. energy: -3.849
local terms energy: -704.106702
where:
bonds (distance) C4'-P energy: -132.365
bonds (distance) P-C4' energy: -114.077
flat angles C4'-P-C4' energy: -146.081
flat angles P-C4'-P energy: -98.827
tors. eta vs tors. theta energy: -212.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2206.255705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.255705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.255705 (E_RNA)
where:
Base-Base interactions energy: -1508.720
where: short stacking energy: -641.578
Base-Backbone interact. energy: -1.216
local terms energy: -696.319562
where:
bonds (distance) C4'-P energy: -131.609
bonds (distance) P-C4' energy: -136.812
flat angles C4'-P-C4' energy: -138.479
flat angles P-C4'-P energy: -101.380
tors. eta vs tors. theta energy: -188.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1872.281097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.281097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.281097 (E_RNA)
where:
Base-Base interactions energy: -1277.367
where: short stacking energy: -553.611
Base-Backbone interact. energy: -0.458
local terms energy: -594.457018
where:
bonds (distance) C4'-P energy: -124.270
bonds (distance) P-C4' energy: -112.088
flat angles C4'-P-C4' energy: -130.364
flat angles P-C4'-P energy: -81.878
tors. eta vs tors. theta energy: -145.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1751.151146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.151146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.151146 (E_RNA)
where:
Base-Base interactions energy: -1149.521
where: short stacking energy: -494.796
Base-Backbone interact. energy: 1.554
local terms energy: -603.183388
where:
bonds (distance) C4'-P energy: -125.284
bonds (distance) P-C4' energy: -122.005
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -101.266
tors. eta vs tors. theta energy: -135.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1374.272173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.272173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.272173 (E_RNA)
where:
Base-Base interactions energy: -879.866
where: short stacking energy: -429.497
Base-Backbone interact. energy: 1.753
local terms energy: -496.159726
where:
bonds (distance) C4'-P energy: -115.296
bonds (distance) P-C4' energy: -119.832
flat angles C4'-P-C4' energy: -114.886
flat angles P-C4'-P energy: -69.772
tors. eta vs tors. theta energy: -76.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1118.559077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.559077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.559077 (E_RNA)
where:
Base-Base interactions energy: -670.021
where: short stacking energy: -317.674
Base-Backbone interact. energy: -0.502
local terms energy: -448.035727
where:
bonds (distance) C4'-P energy: -119.541
bonds (distance) P-C4' energy: -101.700
flat angles C4'-P-C4' energy: -118.890
flat angles P-C4'-P energy: -71.379
tors. eta vs tors. theta energy: -36.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -918.334553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.334553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.334553 (E_RNA)
where:
Base-Base interactions energy: -485.689
where: short stacking energy: -256.469
Base-Backbone interact. energy: -1.586
local terms energy: -431.060293
where:
bonds (distance) C4'-P energy: -112.540
bonds (distance) P-C4' energy: -110.601
flat angles C4'-P-C4' energy: -108.185
flat angles P-C4'-P energy: -70.584
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2564.548761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.548761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.548761 (E_RNA)
where:
Base-Base interactions energy: -1760.718
where: short stacking energy: -759.427
Base-Backbone interact. energy: -3.741
local terms energy: -800.089440
where:
bonds (distance) C4'-P energy: -143.626
bonds (distance) P-C4' energy: -152.885
flat angles C4'-P-C4' energy: -159.579
flat angles P-C4'-P energy: -114.684
tors. eta vs tors. theta energy: -229.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2522.214411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.214411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.214411 (E_RNA)
where:
Base-Base interactions energy: -1751.765
where: short stacking energy: -734.191
Base-Backbone interact. energy: -3.924
local terms energy: -766.524824
where:
bonds (distance) C4'-P energy: -138.643
bonds (distance) P-C4' energy: -148.434
flat angles C4'-P-C4' energy: -156.431
flat angles P-C4'-P energy: -110.253
tors. eta vs tors. theta energy: -212.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2424.272532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.272532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.272532 (E_RNA)
where:
Base-Base interactions energy: -1676.880
where: short stacking energy: -713.157
Base-Backbone interact. energy: -1.358
local terms energy: -746.034665
where:
bonds (distance) C4'-P energy: -134.549
bonds (distance) P-C4' energy: -125.479
flat angles C4'-P-C4' energy: -152.265
flat angles P-C4'-P energy: -115.677
tors. eta vs tors. theta energy: -218.065
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2320.812860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.812860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.812860 (E_RNA)
where:
Base-Base interactions energy: -1617.908
where: short stacking energy: -678.065
Base-Backbone interact. energy: 1.277
local terms energy: -704.182019
where:
bonds (distance) C4'-P energy: -136.839
bonds (distance) P-C4' energy: -131.015
flat angles C4'-P-C4' energy: -152.717
flat angles P-C4'-P energy: -85.713
tors. eta vs tors. theta energy: -197.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2168.602325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.602325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.602325 (E_RNA)
where:
Base-Base interactions energy: -1509.976
where: short stacking energy: -603.851
Base-Backbone interact. energy: -0.112
local terms energy: -658.515081
where:
bonds (distance) C4'-P energy: -111.844
bonds (distance) P-C4' energy: -127.726
flat angles C4'-P-C4' energy: -159.221
flat angles P-C4'-P energy: -85.129
tors. eta vs tors. theta energy: -174.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1843.258725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.258725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.258725 (E_RNA)
where:
Base-Base interactions energy: -1249.406
where: short stacking energy: -539.847
Base-Backbone interact. energy: -1.624
local terms energy: -592.229035
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -133.520
flat angles C4'-P-C4' energy: -120.382
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -141.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1739.557641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.557641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.557641 (E_RNA)
where:
Base-Base interactions energy: -1157.558
where: short stacking energy: -498.912
Base-Backbone interact. energy: -1.538
local terms energy: -580.461931
where:
bonds (distance) C4'-P energy: -114.418
bonds (distance) P-C4' energy: -112.446
flat angles C4'-P-C4' energy: -150.053
flat angles P-C4'-P energy: -81.168
tors. eta vs tors. theta energy: -122.376
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: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1338.415597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.415597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.415597 (E_RNA)
where:
Base-Base interactions energy: -844.666
where: short stacking energy: -396.540
Base-Backbone interact. energy: -0.554
local terms energy: -493.195784
where:
bonds (distance) C4'-P energy: -112.311
bonds (distance) P-C4' energy: -126.843
flat angles C4'-P-C4' energy: -110.385
flat angles P-C4'-P energy: -69.735
tors. eta vs tors. theta energy: -73.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1187.292215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.292215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.292215 (E_RNA)
where:
Base-Base interactions energy: -697.229
where: short stacking energy: -330.114
Base-Backbone interact. energy: -2.676
local terms energy: -487.386724
where:
bonds (distance) C4'-P energy: -125.248
bonds (distance) P-C4' energy: -126.357
flat angles C4'-P-C4' energy: -111.924
flat angles P-C4'-P energy: -57.142
tors. eta vs tors. theta energy: -66.716
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: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -949.579171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.579171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.579171 (E_RNA)
where:
Base-Base interactions energy: -527.861
where: short stacking energy: -250.571
Base-Backbone interact. energy: 1.943
local terms energy: -423.661469
where:
bonds (distance) C4'-P energy: -113.471
bonds (distance) P-C4' energy: -112.845
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -72.692
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2580.483878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.483878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.483878 (E_RNA)
where:
Base-Base interactions energy: -1785.603
where: short stacking energy: -752.480
Base-Backbone interact. energy: -5.726
local terms energy: -789.154489
where:
bonds (distance) C4'-P energy: -134.882
bonds (distance) P-C4' energy: -142.406
flat angles C4'-P-C4' energy: -167.143
flat angles P-C4'-P energy: -114.543
tors. eta vs tors. theta energy: -230.180
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: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2478.857780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.857780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.857780 (E_RNA)
where:
Base-Base interactions energy: -1686.020
where: short stacking energy: -727.515
Base-Backbone interact. energy: -4.047
local terms energy: -788.790631
where:
bonds (distance) C4'-P energy: -147.621
bonds (distance) P-C4' energy: -139.707
flat angles C4'-P-C4' energy: -165.015
flat angles P-C4'-P energy: -107.834
tors. eta vs tors. theta energy: -228.613
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: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2449.030795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.030795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.030795 (E_RNA)
where:
Base-Base interactions energy: -1733.582
where: short stacking energy: -717.066
Base-Backbone interact. energy: -2.618
local terms energy: -712.831196
where:
bonds (distance) C4'-P energy: -131.665
bonds (distance) P-C4' energy: -126.917
flat angles C4'-P-C4' energy: -163.789
flat angles P-C4'-P energy: -97.551
tors. eta vs tors. theta energy: -192.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2313.568876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.568876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.568876 (E_RNA)
where:
Base-Base interactions energy: -1623.615
where: short stacking energy: -689.564
Base-Backbone interact. energy: -2.088
local terms energy: -687.866497
where:
bonds (distance) C4'-P energy: -126.213
bonds (distance) P-C4' energy: -119.760
flat angles C4'-P-C4' energy: -155.047
flat angles P-C4'-P energy: -91.583
tors. eta vs tors. theta energy: -195.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2130.009316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.009316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.009316 (E_RNA)
where:
Base-Base interactions energy: -1475.804
where: short stacking energy: -631.019
Base-Backbone interact. energy: -0.407
local terms energy: -653.798769
where:
bonds (distance) C4'-P energy: -125.084
bonds (distance) P-C4' energy: -137.339
flat angles C4'-P-C4' energy: -138.384
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: -174.572
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: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1869.954635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.954635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.954635 (E_RNA)
where:
Base-Base interactions energy: -1240.734
where: short stacking energy: -531.053
Base-Backbone interact. energy: -2.830
local terms energy: -626.390918
where:
bonds (distance) C4'-P energy: -124.429
bonds (distance) P-C4' energy: -135.896
flat angles C4'-P-C4' energy: -132.121
flat angles P-C4'-P energy: -99.115
tors. eta vs tors. theta energy: -134.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1823.284974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.284974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.284974 (E_RNA)
where:
Base-Base interactions energy: -1205.886
where: short stacking energy: -543.886
Base-Backbone interact. energy: -0.093
local terms energy: -617.305953
where:
bonds (distance) C4'-P energy: -127.624
bonds (distance) P-C4' energy: -116.793
flat angles C4'-P-C4' energy: -124.699
flat angles P-C4'-P energy: -103.918
tors. eta vs tors. theta energy: -144.271
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: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1408.240072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.240072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.240072 (E_RNA)
where:
Base-Base interactions energy: -914.046
where: short stacking energy: -429.807
Base-Backbone interact. energy: 3.144
local terms energy: -497.337717
where:
bonds (distance) C4'-P energy: -117.180
bonds (distance) P-C4' energy: -100.947
flat angles C4'-P-C4' energy: -129.077
flat angles P-C4'-P energy: -64.419
tors. eta vs tors. theta energy: -85.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1143.410402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.410402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.410402 (E_RNA)
where:
Base-Base interactions energy: -710.859
where: short stacking energy: -320.928
Base-Backbone interact. energy: 0.194
local terms energy: -432.745250
where:
bonds (distance) C4'-P energy: -101.504
bonds (distance) P-C4' energy: -116.268
flat angles C4'-P-C4' energy: -125.832
flat angles P-C4'-P energy: -53.090
tors. eta vs tors. theta energy: -36.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -958.544018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.544018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.544018 (E_RNA)
where:
Base-Base interactions energy: -550.115
where: short stacking energy: -290.700
Base-Backbone interact. energy: 1.236
local terms energy: -409.664603
where:
bonds (distance) C4'-P energy: -92.527
bonds (distance) P-C4' energy: -123.963
flat angles C4'-P-C4' energy: -111.841
flat angles P-C4'-P energy: -62.969
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2576.663022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.663022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.663022 (E_RNA)
where:
Base-Base interactions energy: -1773.346
where: short stacking energy: -759.518
Base-Backbone interact. energy: -4.436
local terms energy: -798.880946
where:
bonds (distance) C4'-P energy: -140.254
bonds (distance) P-C4' energy: -149.523
flat angles C4'-P-C4' energy: -164.555
flat angles P-C4'-P energy: -109.044
tors. eta vs tors. theta energy: -235.505
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: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2477.258625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.258625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.258625 (E_RNA)
where:
Base-Base interactions energy: -1720.609
where: short stacking energy: -739.524
Base-Backbone interact. energy: -1.008
local terms energy: -755.642389
where:
bonds (distance) C4'-P energy: -125.810
bonds (distance) P-C4' energy: -139.032
flat angles C4'-P-C4' energy: -166.680
flat angles P-C4'-P energy: -103.924
tors. eta vs tors. theta energy: -220.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2472.445676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.445676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.445676 (E_RNA)
where:
Base-Base interactions energy: -1738.842
where: short stacking energy: -710.554
Base-Backbone interact. energy: -0.653
local terms energy: -732.950462
where:
bonds (distance) C4'-P energy: -128.715
bonds (distance) P-C4' energy: -154.235
flat angles C4'-P-C4' energy: -144.314
flat angles P-C4'-P energy: -99.676
tors. eta vs tors. theta energy: -206.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2301.908425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.908425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.908425 (E_RNA)
where:
Base-Base interactions energy: -1595.306
where: short stacking energy: -657.549
Base-Backbone interact. energy: -2.530
local terms energy: -704.071544
where:
bonds (distance) C4'-P energy: -133.470
bonds (distance) P-C4' energy: -141.935
flat angles C4'-P-C4' energy: -142.713
flat angles P-C4'-P energy: -103.813
tors. eta vs tors. theta energy: -182.141
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: 468
Temperature: 1.100000
Total energy: -2098.586089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.586089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.586089 (E_RNA)
where:
Base-Base interactions energy: -1443.937
where: short stacking energy: -609.555
Base-Backbone interact. energy: -1.203
local terms energy: -653.446435
where:
bonds (distance) C4'-P energy: -106.031
bonds (distance) P-C4' energy: -121.669
flat angles C4'-P-C4' energy: -146.945
flat angles P-C4'-P energy: -89.144
tors. eta vs tors. theta energy: -189.658
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: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1876.130571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.130571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.130571 (E_RNA)
where:
Base-Base interactions energy: -1250.277
where: short stacking energy: -566.017
Base-Backbone interact. energy: -1.067
local terms energy: -624.786331
where:
bonds (distance) C4'-P energy: -125.659
bonds (distance) P-C4' energy: -120.773
flat angles C4'-P-C4' energy: -139.119
flat angles P-C4'-P energy: -88.139
tors. eta vs tors. theta energy: -151.096
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: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1734.561720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.561720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.561720 (E_RNA)
where:
Base-Base interactions energy: -1147.505
where: short stacking energy: -502.819
Base-Backbone interact. energy: -0.257
local terms energy: -586.799087
where:
bonds (distance) C4'-P energy: -95.573
bonds (distance) P-C4' energy: -123.664
flat angles C4'-P-C4' energy: -135.191
flat angles P-C4'-P energy: -90.899
tors. eta vs tors. theta energy: -141.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1442.700440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.700440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.700440 (E_RNA)
where:
Base-Base interactions energy: -917.883
where: short stacking energy: -422.934
Base-Backbone interact. energy: 2.873
local terms energy: -527.691128
where:
bonds (distance) C4'-P energy: -109.487
bonds (distance) P-C4' energy: -121.135
flat angles C4'-P-C4' energy: -123.575
flat angles P-C4'-P energy: -85.974
tors. eta vs tors. theta energy: -87.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1151.307256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.307256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.307256 (E_RNA)
where:
Base-Base interactions energy: -704.428
where: short stacking energy: -312.625
Base-Backbone interact. energy: 10.987
local terms energy: -457.866224
where:
bonds (distance) C4'-P energy: -105.504
bonds (distance) P-C4' energy: -133.825
flat angles C4'-P-C4' energy: -100.731
flat angles P-C4'-P energy: -71.984
tors. eta vs tors. theta energy: -45.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -985.111368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.111368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.111368 (E_RNA)
where:
Base-Base interactions energy: -593.212
where: short stacking energy: -279.843
Base-Backbone interact. energy: 2.891
local terms energy: -394.790492
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -121.687
flat angles C4'-P-C4' energy: -102.785
flat angles P-C4'-P energy: -55.369
tors. eta vs tors. theta energy: -21.486
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: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2582.040142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.040142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.040142 (E_RNA)
where:
Base-Base interactions energy: -1774.877
where: short stacking energy: -746.574
Base-Backbone interact. energy: -4.905
local terms energy: -802.257624
where:
bonds (distance) C4'-P energy: -143.384
bonds (distance) P-C4' energy: -142.583
flat angles C4'-P-C4' energy: -161.629
flat angles P-C4'-P energy: -121.096
tors. eta vs tors. theta energy: -233.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2534.916589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.916589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.916589 (E_RNA)
where:
Base-Base interactions energy: -1772.049
where: short stacking energy: -732.962
Base-Backbone interact. energy: -1.655
local terms energy: -761.213196
where:
bonds (distance) C4'-P energy: -146.634
bonds (distance) P-C4' energy: -128.891
flat angles C4'-P-C4' energy: -152.928
flat angles P-C4'-P energy: -117.225
tors. eta vs tors. theta energy: -215.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2411.684185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.684185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.684185 (E_RNA)
where:
Base-Base interactions energy: -1682.810
where: short stacking energy: -729.371
Base-Backbone interact. energy: -4.030
local terms energy: -724.843932
where:
bonds (distance) C4'-P energy: -130.090
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -146.632
flat angles P-C4'-P energy: -109.197
tors. eta vs tors. theta energy: -208.818
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2282.960810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.960810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.960810 (E_RNA)
where:
Base-Base interactions energy: -1600.362
where: short stacking energy: -696.790
Base-Backbone interact. energy: -0.488
local terms energy: -682.111307
where:
bonds (distance) C4'-P energy: -115.946
bonds (distance) P-C4' energy: -130.118
flat angles C4'-P-C4' energy: -153.668
flat angles P-C4'-P energy: -88.721
tors. eta vs tors. theta energy: -193.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2123.513431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.513431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.513431 (E_RNA)
where:
Base-Base interactions energy: -1483.866
where: short stacking energy: -630.994
Base-Backbone interact. energy: -2.421
local terms energy: -637.226578
where:
bonds (distance) C4'-P energy: -121.829
bonds (distance) P-C4' energy: -107.417
flat angles C4'-P-C4' energy: -145.346
flat angles P-C4'-P energy: -95.974
tors. eta vs tors. theta energy: -166.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1894.866608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.866608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.866608 (E_RNA)
where:
Base-Base interactions energy: -1269.813
where: short stacking energy: -553.994
Base-Backbone interact. energy: -0.662
local terms energy: -624.392437
where:
bonds (distance) C4'-P energy: -116.099
bonds (distance) P-C4' energy: -121.915
flat angles C4'-P-C4' energy: -136.903
flat angles P-C4'-P energy: -102.011
tors. eta vs tors. theta energy: -147.464
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: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1795.357099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.357099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.357099 (E_RNA)
where:
Base-Base interactions energy: -1207.100
where: short stacking energy: -530.608
Base-Backbone interact. energy: 2.945
local terms energy: -591.201674
where:
bonds (distance) C4'-P energy: -115.376
bonds (distance) P-C4' energy: -127.659
flat angles C4'-P-C4' energy: -138.931
flat angles P-C4'-P energy: -74.296
tors. eta vs tors. theta energy: -134.940
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: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1430.885438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.885438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.885438 (E_RNA)
where:
Base-Base interactions energy: -896.465
where: short stacking energy: -416.638
Base-Backbone interact. energy: 0.495
local terms energy: -534.915280
where:
bonds (distance) C4'-P energy: -115.413
bonds (distance) P-C4' energy: -134.098
flat angles C4'-P-C4' energy: -115.607
flat angles P-C4'-P energy: -73.004
tors. eta vs tors. theta energy: -96.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1184.796318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.796318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.796318 (E_RNA)
where:
Base-Base interactions energy: -747.463
where: short stacking energy: -337.196
Base-Backbone interact. energy: -1.503
local terms energy: -435.829925
where:
bonds (distance) C4'-P energy: -96.005
bonds (distance) P-C4' energy: -114.122
flat angles C4'-P-C4' energy: -108.265
flat angles P-C4'-P energy: -75.092
tors. eta vs tors. theta energy: -42.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -965.016221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.016221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.016221 (E_RNA)
where:
Base-Base interactions energy: -559.298
where: short stacking energy: -272.632
Base-Backbone interact. energy: 0.285
local terms energy: -406.002886
where:
bonds (distance) C4'-P energy: -125.436
bonds (distance) P-C4' energy: -101.467
flat angles C4'-P-C4' energy: -89.606
flat angles P-C4'-P energy: -71.505
tors. eta vs tors. theta energy: -17.988
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: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2592.203307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.203307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.203307 (E_RNA)
where:
Base-Base interactions energy: -1822.967
where: short stacking energy: -771.077
Base-Backbone interact. energy: -3.054
local terms energy: -766.182336
where:
bonds (distance) C4'-P energy: -138.344
bonds (distance) P-C4' energy: -143.015
flat angles C4'-P-C4' energy: -158.512
flat angles P-C4'-P energy: -108.206
tors. eta vs tors. theta energy: -218.105
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: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2535.173271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.173271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.173271 (E_RNA)
where:
Base-Base interactions energy: -1742.259
where: short stacking energy: -744.006
Base-Backbone interact. energy: -0.292
local terms energy: -792.622438
where:
bonds (distance) C4'-P energy: -132.169
bonds (distance) P-C4' energy: -150.371
flat angles C4'-P-C4' energy: -171.249
flat angles P-C4'-P energy: -105.316
tors. eta vs tors. theta energy: -233.517
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: 470
Temperature: 1.000000
Total energy: -2396.065694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.065694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.065694 (E_RNA)
where:
Base-Base interactions energy: -1679.845
where: short stacking energy: -711.245
Base-Backbone interact. energy: -0.663
local terms energy: -715.557410
where:
bonds (distance) C4'-P energy: -119.916
bonds (distance) P-C4' energy: -131.904
flat angles C4'-P-C4' energy: -155.440
flat angles P-C4'-P energy: -103.411
tors. eta vs tors. theta energy: -204.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2331.671180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.671180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.671180 (E_RNA)
where:
Base-Base interactions energy: -1609.600
where: short stacking energy: -653.025
Base-Backbone interact. energy: 0.069
local terms energy: -722.139781
where:
bonds (distance) C4'-P energy: -134.883
bonds (distance) P-C4' energy: -136.140
flat angles C4'-P-C4' energy: -159.913
flat angles P-C4'-P energy: -95.723
tors. eta vs tors. theta energy: -195.481
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: 470
Temperature: 1.100000
Total energy: -2161.238000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.238000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.238000 (E_RNA)
where:
Base-Base interactions energy: -1493.389
where: short stacking energy: -647.712
Base-Backbone interact. energy: -4.815
local terms energy: -663.033995
where:
bonds (distance) C4'-P energy: -126.780
bonds (distance) P-C4' energy: -119.179
flat angles C4'-P-C4' energy: -131.373
flat angles P-C4'-P energy: -99.533
tors. eta vs tors. theta energy: -186.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1883.559497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.559497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.559497 (E_RNA)
where:
Base-Base interactions energy: -1239.003
where: short stacking energy: -550.021
Base-Backbone interact. energy: 3.683
local terms energy: -648.239611
where:
bonds (distance) C4'-P energy: -122.010
bonds (distance) P-C4' energy: -130.056
flat angles C4'-P-C4' energy: -146.062
flat angles P-C4'-P energy: -100.725
tors. eta vs tors. theta energy: -149.386
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: 470
Temperature: 1.200000
Total energy: -1793.461506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.461506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.461506 (E_RNA)
where:
Base-Base interactions energy: -1200.210
where: short stacking energy: -523.731
Base-Backbone interact. energy: -2.377
local terms energy: -590.873994
where:
bonds (distance) C4'-P energy: -101.485
bonds (distance) P-C4' energy: -118.072
flat angles C4'-P-C4' energy: -149.462
flat angles P-C4'-P energy: -84.473
tors. eta vs tors. theta energy: -137.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1350.008456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.008456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.008456 (E_RNA)
where:
Base-Base interactions energy: -845.031
where: short stacking energy: -387.537
Base-Backbone interact. energy: -0.442
local terms energy: -504.535752
where:
bonds (distance) C4'-P energy: -115.469
bonds (distance) P-C4' energy: -119.036
flat angles C4'-P-C4' energy: -118.232
flat angles P-C4'-P energy: -70.930
tors. eta vs tors. theta energy: -80.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1168.836368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.836368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.836368 (E_RNA)
where:
Base-Base interactions energy: -725.672
where: short stacking energy: -327.473
Base-Backbone interact. energy: 6.060
local terms energy: -449.224657
where:
bonds (distance) C4'-P energy: -95.350
bonds (distance) P-C4' energy: -112.175
flat angles C4'-P-C4' energy: -133.842
flat angles P-C4'-P energy: -57.953
tors. eta vs tors. theta energy: -49.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1045.272280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.272280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.272280 (E_RNA)
where:
Base-Base interactions energy: -606.835
where: short stacking energy: -293.656
Base-Backbone interact. energy: -0.798
local terms energy: -437.638688
where:
bonds (distance) C4'-P energy: -109.760
bonds (distance) P-C4' energy: -118.459
flat angles C4'-P-C4' energy: -107.068
flat angles P-C4'-P energy: -74.209
tors. eta vs tors. theta energy: -28.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2598.914094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.914094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.914094 (E_RNA)
where:
Base-Base interactions energy: -1831.090
where: short stacking energy: -768.394
Base-Backbone interact. energy: -0.772
local terms energy: -767.051598
where:
bonds (distance) C4'-P energy: -142.701
bonds (distance) P-C4' energy: -135.740
flat angles C4'-P-C4' energy: -152.485
flat angles P-C4'-P energy: -112.606
tors. eta vs tors. theta energy: -223.519
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: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2519.478999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.478999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.478999 (E_RNA)
where:
Base-Base interactions energy: -1754.363
where: short stacking energy: -743.586
Base-Backbone interact. energy: -5.937
local terms energy: -759.179563
where:
bonds (distance) C4'-P energy: -133.771
bonds (distance) P-C4' energy: -124.393
flat angles C4'-P-C4' energy: -164.833
flat angles P-C4'-P energy: -102.280
tors. eta vs tors. theta energy: -233.903
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: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2402.036807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.036807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.036807 (E_RNA)
where:
Base-Base interactions energy: -1666.861
where: short stacking energy: -698.860
Base-Backbone interact. energy: -1.625
local terms energy: -733.551160
where:
bonds (distance) C4'-P energy: -125.374
bonds (distance) P-C4' energy: -147.271
flat angles C4'-P-C4' energy: -163.386
flat angles P-C4'-P energy: -98.579
tors. eta vs tors. theta energy: -198.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2313.760663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.760663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.760663 (E_RNA)
where:
Base-Base interactions energy: -1624.419
where: short stacking energy: -678.817
Base-Backbone interact. energy: -1.097
local terms energy: -688.244655
where:
bonds (distance) C4'-P energy: -119.417
bonds (distance) P-C4' energy: -128.637
flat angles C4'-P-C4' energy: -149.434
flat angles P-C4'-P energy: -95.059
tors. eta vs tors. theta energy: -195.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2165.112193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.112193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.112193 (E_RNA)
where:
Base-Base interactions energy: -1510.190
where: short stacking energy: -640.805
Base-Backbone interact. energy: -1.791
local terms energy: -653.130776
where:
bonds (distance) C4'-P energy: -113.673
bonds (distance) P-C4' energy: -124.095
flat angles C4'-P-C4' energy: -142.725
flat angles P-C4'-P energy: -86.160
tors. eta vs tors. theta energy: -186.478
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1892.909703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.909703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.909703 (E_RNA)
where:
Base-Base interactions energy: -1283.561
where: short stacking energy: -585.874
Base-Backbone interact. energy: 0.100
local terms energy: -609.448161
where:
bonds (distance) C4'-P energy: -135.460
bonds (distance) P-C4' energy: -128.000
flat angles C4'-P-C4' energy: -129.160
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -144.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1800.327210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.327210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.327210 (E_RNA)
where:
Base-Base interactions energy: -1230.644
where: short stacking energy: -515.286
Base-Backbone interact. energy: 0.200
local terms energy: -569.883104
where:
bonds (distance) C4'-P energy: -103.480
bonds (distance) P-C4' energy: -114.077
flat angles C4'-P-C4' energy: -136.648
flat angles P-C4'-P energy: -86.683
tors. eta vs tors. theta energy: -128.995
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: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1406.773326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.773326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.773326 (E_RNA)
where:
Base-Base interactions energy: -912.704
where: short stacking energy: -425.722
Base-Backbone interact. energy: -2.251
local terms energy: -491.818357
where:
bonds (distance) C4'-P energy: -121.501
bonds (distance) P-C4' energy: -108.682
flat angles C4'-P-C4' energy: -111.704
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -103.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1204.482721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.482721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.482721 (E_RNA)
where:
Base-Base interactions energy: -758.437
where: short stacking energy: -362.267
Base-Backbone interact. energy: -3.837
local terms energy: -442.208495
where:
bonds (distance) C4'-P energy: -107.009
bonds (distance) P-C4' energy: -91.795
flat angles C4'-P-C4' energy: -107.886
flat angles P-C4'-P energy: -81.095
tors. eta vs tors. theta energy: -54.422
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: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1085.566742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.566742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.566742 (E_RNA)
where:
Base-Base interactions energy: -650.450
where: short stacking energy: -308.615
Base-Backbone interact. energy: 4.690
local terms energy: -439.805930
where:
bonds (distance) C4'-P energy: -86.482
bonds (distance) P-C4' energy: -120.765
flat angles C4'-P-C4' energy: -127.737
flat angles P-C4'-P energy: -61.544
tors. eta vs tors. theta energy: -43.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2568.825280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.825280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.825280 (E_RNA)
where:
Base-Base interactions energy: -1805.427
where: short stacking energy: -761.030
Base-Backbone interact. energy: -2.733
local terms energy: -760.665123
where:
bonds (distance) C4'-P energy: -132.063
bonds (distance) P-C4' energy: -137.409
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -114.373
tors. eta vs tors. theta energy: -226.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2537.648200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.648200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.648200 (E_RNA)
where:
Base-Base interactions energy: -1776.275
where: short stacking energy: -732.219
Base-Backbone interact. energy: -2.312
local terms energy: -759.061410
where:
bonds (distance) C4'-P energy: -126.132
bonds (distance) P-C4' energy: -141.341
flat angles C4'-P-C4' energy: -157.760
flat angles P-C4'-P energy: -109.173
tors. eta vs tors. theta energy: -224.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2426.401441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.401441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.401441 (E_RNA)
where:
Base-Base interactions energy: -1673.001
where: short stacking energy: -700.369
Base-Backbone interact. energy: -5.764
local terms energy: -747.637071
where:
bonds (distance) C4'-P energy: -127.021
bonds (distance) P-C4' energy: -147.584
flat angles C4'-P-C4' energy: -159.348
flat angles P-C4'-P energy: -113.425
tors. eta vs tors. theta energy: -200.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2329.422901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.422901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.422901 (E_RNA)
where:
Base-Base interactions energy: -1615.720
where: short stacking energy: -698.821
Base-Backbone interact. energy: -3.060
local terms energy: -710.643225
where:
bonds (distance) C4'-P energy: -132.446
bonds (distance) P-C4' energy: -143.572
flat angles C4'-P-C4' energy: -148.477
flat angles P-C4'-P energy: -90.574
tors. eta vs tors. theta energy: -195.574
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: 472
Temperature: 1.100000
Total energy: -2089.902137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.902137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.902137 (E_RNA)
where:
Base-Base interactions energy: -1422.856
where: short stacking energy: -595.045
Base-Backbone interact. energy: -0.560
local terms energy: -666.486093
where:
bonds (distance) C4'-P energy: -125.216
bonds (distance) P-C4' energy: -132.850
flat angles C4'-P-C4' energy: -148.283
flat angles P-C4'-P energy: -82.897
tors. eta vs tors. theta energy: -177.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1911.957505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.957505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.957505 (E_RNA)
where:
Base-Base interactions energy: -1302.460
where: short stacking energy: -594.297
Base-Backbone interact. energy: -3.832
local terms energy: -605.665231
where:
bonds (distance) C4'-P energy: -109.400
bonds (distance) P-C4' energy: -127.032
flat angles C4'-P-C4' energy: -130.651
flat angles P-C4'-P energy: -87.775
tors. eta vs tors. theta energy: -150.807
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1808.687351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.687351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.687351 (E_RNA)
where:
Base-Base interactions energy: -1209.356
where: short stacking energy: -511.907
Base-Backbone interact. energy: -4.627
local terms energy: -594.704548
where:
bonds (distance) C4'-P energy: -118.307
bonds (distance) P-C4' energy: -122.967
flat angles C4'-P-C4' energy: -122.044
flat angles P-C4'-P energy: -84.035
tors. eta vs tors. theta energy: -147.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1344.152647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.152647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.152647 (E_RNA)
where:
Base-Base interactions energy: -861.869
where: short stacking energy: -393.793
Base-Backbone interact. energy: 1.746
local terms energy: -484.029471
where:
bonds (distance) C4'-P energy: -128.429
bonds (distance) P-C4' energy: -100.383
flat angles C4'-P-C4' energy: -111.607
flat angles P-C4'-P energy: -68.153
tors. eta vs tors. theta energy: -75.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1230.928691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.928691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.928691 (E_RNA)
where:
Base-Base interactions energy: -776.517
where: short stacking energy: -361.336
Base-Backbone interact. energy: 1.902
local terms energy: -456.312933
where:
bonds (distance) C4'-P energy: -111.799
bonds (distance) P-C4' energy: -118.795
flat angles C4'-P-C4' energy: -100.961
flat angles P-C4'-P energy: -67.562
tors. eta vs tors. theta energy: -57.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1060.688008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.688008 (E_RNA)
where:
Base-Base interactions energy: -630.314
where: short stacking energy: -300.073
Base-Backbone interact. energy: -0.356
local terms energy: -430.018692
where:
bonds (distance) C4'-P energy: -106.272
bonds (distance) P-C4' energy: -118.961
flat angles C4'-P-C4' energy: -101.051
flat angles P-C4'-P energy: -71.743
tors. eta vs tors. theta energy: -31.991
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: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2592.056544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.056544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.056544 (E_RNA)
where:
Base-Base interactions energy: -1792.293
where: short stacking energy: -772.765
Base-Backbone interact. energy: -5.099
local terms energy: -794.664576
where:
bonds (distance) C4'-P energy: -143.032
bonds (distance) P-C4' energy: -147.153
flat angles C4'-P-C4' energy: -166.550
flat angles P-C4'-P energy: -112.999
tors. eta vs tors. theta energy: -224.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2532.281614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.281614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.281614 (E_RNA)
where:
Base-Base interactions energy: -1777.724
where: short stacking energy: -707.910
Base-Backbone interact. energy: 1.299
local terms energy: -755.856858
where:
bonds (distance) C4'-P energy: -128.670
bonds (distance) P-C4' energy: -154.694
flat angles C4'-P-C4' energy: -160.767
flat angles P-C4'-P energy: -108.364
tors. eta vs tors. theta energy: -203.362
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: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2388.323609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.323609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.323609 (E_RNA)
where:
Base-Base interactions energy: -1678.432
where: short stacking energy: -706.758
Base-Backbone interact. energy: -0.215
local terms energy: -709.677093
where:
bonds (distance) C4'-P energy: -131.663
bonds (distance) P-C4' energy: -125.793
flat angles C4'-P-C4' energy: -154.355
flat angles P-C4'-P energy: -92.285
tors. eta vs tors. theta energy: -205.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2300.378733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.378733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.378733 (E_RNA)
where:
Base-Base interactions energy: -1587.571
where: short stacking energy: -666.316
Base-Backbone interact. energy: -3.725
local terms energy: -709.082463
where:
bonds (distance) C4'-P energy: -133.390
bonds (distance) P-C4' energy: -138.374
flat angles C4'-P-C4' energy: -153.119
flat angles P-C4'-P energy: -96.739
tors. eta vs tors. theta energy: -187.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2084.714369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.714369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.714369 (E_RNA)
where:
Base-Base interactions energy: -1434.717
where: short stacking energy: -630.062
Base-Backbone interact. energy: -3.683
local terms energy: -646.313750
where:
bonds (distance) C4'-P energy: -123.875
bonds (distance) P-C4' energy: -133.456
flat angles C4'-P-C4' energy: -131.710
flat angles P-C4'-P energy: -87.563
tors. eta vs tors. theta energy: -169.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1887.262797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.262797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.262797 (E_RNA)
where:
Base-Base interactions energy: -1270.486
where: short stacking energy: -545.577
Base-Backbone interact. energy: -0.830
local terms energy: -615.946750
where:
bonds (distance) C4'-P energy: -121.588
bonds (distance) P-C4' energy: -124.410
flat angles C4'-P-C4' energy: -151.545
flat angles P-C4'-P energy: -75.906
tors. eta vs tors. theta energy: -142.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1875.755120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.755120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.755120 (E_RNA)
where:
Base-Base interactions energy: -1284.975
where: short stacking energy: -556.652
Base-Backbone interact. energy: -2.735
local terms energy: -588.044765
where:
bonds (distance) C4'-P energy: -113.919
bonds (distance) P-C4' energy: -121.031
flat angles C4'-P-C4' energy: -131.354
flat angles P-C4'-P energy: -82.086
tors. eta vs tors. theta energy: -139.654
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: 473
Temperature: 1.250000
Total energy: -1358.522937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.522937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.522937 (E_RNA)
where:
Base-Base interactions energy: -838.042
where: short stacking energy: -407.057
Base-Backbone interact. energy: -3.149
local terms energy: -517.331364
where:
bonds (distance) C4'-P energy: -136.881
bonds (distance) P-C4' energy: -112.559
flat angles C4'-P-C4' energy: -104.701
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -75.816
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: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1183.478902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.478902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.478902 (E_RNA)
where:
Base-Base interactions energy: -718.078
where: short stacking energy: -320.449
Base-Backbone interact. energy: 0.664
local terms energy: -466.064683
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -130.986
flat angles C4'-P-C4' energy: -120.324
flat angles P-C4'-P energy: -60.809
tors. eta vs tors. theta energy: -42.247
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: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1044.231732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.231732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.231732 (E_RNA)
where:
Base-Base interactions energy: -620.380
where: short stacking energy: -307.116
Base-Backbone interact. energy: 1.170
local terms energy: -425.021753
where:
bonds (distance) C4'-P energy: -97.490
bonds (distance) P-C4' energy: -126.783
flat angles C4'-P-C4' energy: -99.164
flat angles P-C4'-P energy: -54.978
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: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2591.848536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.848536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.848536 (E_RNA)
where:
Base-Base interactions energy: -1797.169
where: short stacking energy: -783.240
Base-Backbone interact. energy: -1.644
local terms energy: -793.035927
where:
bonds (distance) C4'-P energy: -145.797
bonds (distance) P-C4' energy: -134.477
flat angles C4'-P-C4' energy: -169.169
flat angles P-C4'-P energy: -107.850
tors. eta vs tors. theta energy: -235.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2556.915611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.915611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.915611 (E_RNA)
where:
Base-Base interactions energy: -1804.413
where: short stacking energy: -739.960
Base-Backbone interact. energy: -1.403
local terms energy: -751.099618
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -158.495
flat angles C4'-P-C4' energy: -158.933
flat angles P-C4'-P energy: -94.170
tors. eta vs tors. theta energy: -216.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2412.952950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.952950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.952950 (E_RNA)
where:
Base-Base interactions energy: -1704.033
where: short stacking energy: -721.079
Base-Backbone interact. energy: -5.576
local terms energy: -703.344100
where:
bonds (distance) C4'-P energy: -119.253
bonds (distance) P-C4' energy: -113.077
flat angles C4'-P-C4' energy: -168.606
flat angles P-C4'-P energy: -98.151
tors. eta vs tors. theta energy: -204.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2375.880767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.880767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.880767 (E_RNA)
where:
Base-Base interactions energy: -1639.233
where: short stacking energy: -707.442
Base-Backbone interact. energy: -3.605
local terms energy: -733.042519
where:
bonds (distance) C4'-P energy: -143.042
bonds (distance) P-C4' energy: -131.175
flat angles C4'-P-C4' energy: -149.779
flat angles P-C4'-P energy: -106.407
tors. eta vs tors. theta energy: -202.640
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: 474
Temperature: 1.100000
Total energy: -2099.292997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.292997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.292997 (E_RNA)
where:
Base-Base interactions energy: -1437.486
where: short stacking energy: -603.367
Base-Backbone interact. energy: 8.058
local terms energy: -669.864933
where:
bonds (distance) C4'-P energy: -121.566
bonds (distance) P-C4' energy: -132.398
flat angles C4'-P-C4' energy: -140.824
flat angles P-C4'-P energy: -101.809
tors. eta vs tors. theta energy: -173.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1881.009021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.009021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.009021 (E_RNA)
where:
Base-Base interactions energy: -1264.189
where: short stacking energy: -559.187
Base-Backbone interact. energy: -4.931
local terms energy: -611.889018
where:
bonds (distance) C4'-P energy: -121.349
bonds (distance) P-C4' energy: -114.895
flat angles C4'-P-C4' energy: -139.559
flat angles P-C4'-P energy: -79.990
tors. eta vs tors. theta energy: -156.096
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: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1793.864553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.864553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.864553 (E_RNA)
where:
Base-Base interactions energy: -1243.846
where: short stacking energy: -523.003
Base-Backbone interact. energy: -3.349
local terms energy: -546.670248
where:
bonds (distance) C4'-P energy: -107.536
bonds (distance) P-C4' energy: -120.480
flat angles C4'-P-C4' energy: -116.369
flat angles P-C4'-P energy: -72.207
tors. eta vs tors. theta energy: -130.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1378.207374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.207374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.207374 (E_RNA)
where:
Base-Base interactions energy: -828.149
where: short stacking energy: -412.359
Base-Backbone interact. energy: -0.364
local terms energy: -549.694623
where:
bonds (distance) C4'-P energy: -116.187
bonds (distance) P-C4' energy: -135.433
flat angles C4'-P-C4' energy: -125.862
flat angles P-C4'-P energy: -84.984
tors. eta vs tors. theta energy: -87.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1198.327063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.327063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.327063 (E_RNA)
where:
Base-Base interactions energy: -728.344
where: short stacking energy: -359.997
Base-Backbone interact. energy: -0.304
local terms energy: -469.678750
where:
bonds (distance) C4'-P energy: -113.181
bonds (distance) P-C4' energy: -125.196
flat angles C4'-P-C4' energy: -106.661
flat angles P-C4'-P energy: -65.965
tors. eta vs tors. theta energy: -58.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1049.897799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.897799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.897799 (E_RNA)
where:
Base-Base interactions energy: -611.625
where: short stacking energy: -324.243
Base-Backbone interact. energy: -0.512
local terms energy: -437.760901
where:
bonds (distance) C4'-P energy: -112.828
bonds (distance) P-C4' energy: -106.951
flat angles C4'-P-C4' energy: -111.248
flat angles P-C4'-P energy: -73.200
tors. eta vs tors. theta energy: -33.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2601.977143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.977143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.977143 (E_RNA)
where:
Base-Base interactions energy: -1808.650
where: short stacking energy: -797.527
Base-Backbone interact. energy: -4.099
local terms energy: -789.227429
where:
bonds (distance) C4'-P energy: -134.015
bonds (distance) P-C4' energy: -143.598
flat angles C4'-P-C4' energy: -167.496
flat angles P-C4'-P energy: -101.679
tors. eta vs tors. theta energy: -242.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2555.844071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.844071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.844071 (E_RNA)
where:
Base-Base interactions energy: -1794.444
where: short stacking energy: -740.784
Base-Backbone interact. energy: -2.368
local terms energy: -759.031903
where:
bonds (distance) C4'-P energy: -130.003
bonds (distance) P-C4' energy: -140.480
flat angles C4'-P-C4' energy: -162.658
flat angles P-C4'-P energy: -103.381
tors. eta vs tors. theta energy: -222.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2391.916689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.916689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.916689 (E_RNA)
where:
Base-Base interactions energy: -1675.102
where: short stacking energy: -712.973
Base-Backbone interact. energy: -5.751
local terms energy: -711.063667
where:
bonds (distance) C4'-P energy: -135.473
bonds (distance) P-C4' energy: -132.181
flat angles C4'-P-C4' energy: -152.262
flat angles P-C4'-P energy: -87.256
tors. eta vs tors. theta energy: -203.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2391.048132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.048132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.048132 (E_RNA)
where:
Base-Base interactions energy: -1677.425
where: short stacking energy: -687.894
Base-Backbone interact. energy: -5.334
local terms energy: -708.289540
where:
bonds (distance) C4'-P energy: -130.544
bonds (distance) P-C4' energy: -129.471
flat angles C4'-P-C4' energy: -147.370
flat angles P-C4'-P energy: -92.327
tors. eta vs tors. theta energy: -208.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2087.981600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.981600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.981600 (E_RNA)
where:
Base-Base interactions energy: -1416.478
where: short stacking energy: -621.419
Base-Backbone interact. energy: -1.524
local terms energy: -669.979477
where:
bonds (distance) C4'-P energy: -129.120
bonds (distance) P-C4' energy: -120.358
flat angles C4'-P-C4' energy: -148.169
flat angles P-C4'-P energy: -88.470
tors. eta vs tors. theta energy: -183.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1895.960358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.960358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.960358 (E_RNA)
where:
Base-Base interactions energy: -1292.871
where: short stacking energy: -563.879
Base-Backbone interact. energy: -3.115
local terms energy: -599.974523
where:
bonds (distance) C4'-P energy: -119.594
bonds (distance) P-C4' energy: -116.390
flat angles C4'-P-C4' energy: -132.194
flat angles P-C4'-P energy: -84.849
tors. eta vs tors. theta energy: -146.947
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: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1808.509835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.509835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.509835 (E_RNA)
where:
Base-Base interactions energy: -1221.684
where: short stacking energy: -529.083
Base-Backbone interact. energy: -1.646
local terms energy: -585.179907
where:
bonds (distance) C4'-P energy: -100.934
bonds (distance) P-C4' energy: -141.746
flat angles C4'-P-C4' energy: -136.079
flat angles P-C4'-P energy: -75.846
tors. eta vs tors. theta energy: -130.576
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: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1374.969576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.969576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.969576 (E_RNA)
where:
Base-Base interactions energy: -834.989
where: short stacking energy: -394.196
Base-Backbone interact. energy: -1.820
local terms energy: -538.160684
where:
bonds (distance) C4'-P energy: -126.334
bonds (distance) P-C4' energy: -137.178
flat angles C4'-P-C4' energy: -120.497
flat angles P-C4'-P energy: -84.127
tors. eta vs tors. theta energy: -70.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1194.075372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.075372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.075372 (E_RNA)
where:
Base-Base interactions energy: -739.837
where: short stacking energy: -369.738
Base-Backbone interact. energy: -2.158
local terms energy: -452.080549
where:
bonds (distance) C4'-P energy: -99.337
bonds (distance) P-C4' energy: -106.513
flat angles C4'-P-C4' energy: -103.674
flat angles P-C4'-P energy: -77.990
tors. eta vs tors. theta energy: -64.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -992.019951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.019951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.019951 (E_RNA)
where:
Base-Base interactions energy: -577.439
where: short stacking energy: -259.475
Base-Backbone interact. energy: -3.048
local terms energy: -411.532988
where:
bonds (distance) C4'-P energy: -95.453
bonds (distance) P-C4' energy: -135.100
flat angles C4'-P-C4' energy: -107.147
flat angles P-C4'-P energy: -58.835
tors. eta vs tors. theta energy: -14.998
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: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2594.926751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.926751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.926751 (E_RNA)
where:
Base-Base interactions energy: -1809.089
where: short stacking energy: -775.464
Base-Backbone interact. energy: -2.121
local terms energy: -783.717375
where:
bonds (distance) C4'-P energy: -130.881
bonds (distance) P-C4' energy: -156.912
flat angles C4'-P-C4' energy: -158.794
flat angles P-C4'-P energy: -103.937
tors. eta vs tors. theta energy: -233.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2545.435617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.435617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.435617 (E_RNA)
where:
Base-Base interactions energy: -1800.804
where: short stacking energy: -741.755
Base-Backbone interact. energy: -0.408
local terms energy: -744.223711
where:
bonds (distance) C4'-P energy: -131.549
bonds (distance) P-C4' energy: -134.521
flat angles C4'-P-C4' energy: -159.906
flat angles P-C4'-P energy: -107.339
tors. eta vs tors. theta energy: -210.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2400.389564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.389564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.389564 (E_RNA)
where:
Base-Base interactions energy: -1691.726
where: short stacking energy: -703.605
Base-Backbone interact. energy: -2.906
local terms energy: -705.757888
where:
bonds (distance) C4'-P energy: -123.002
bonds (distance) P-C4' energy: -131.742
flat angles C4'-P-C4' energy: -153.789
flat angles P-C4'-P energy: -100.003
tors. eta vs tors. theta energy: -197.222
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: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2374.078206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.078206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.078206 (E_RNA)
where:
Base-Base interactions energy: -1646.434
where: short stacking energy: -696.106
Base-Backbone interact. energy: -3.905
local terms energy: -723.739102
where:
bonds (distance) C4'-P energy: -126.137
bonds (distance) P-C4' energy: -123.655
flat angles C4'-P-C4' energy: -162.215
flat angles P-C4'-P energy: -100.795
tors. eta vs tors. theta energy: -210.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2123.670884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.670884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.670884 (E_RNA)
where:
Base-Base interactions energy: -1485.167
where: short stacking energy: -622.078
Base-Backbone interact. energy: -4.083
local terms energy: -634.420659
where:
bonds (distance) C4'-P energy: -115.866
bonds (distance) P-C4' energy: -133.989
flat angles C4'-P-C4' energy: -154.639
flat angles P-C4'-P energy: -74.697
tors. eta vs tors. theta energy: -155.229
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: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1915.616322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.616322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.616322 (E_RNA)
where:
Base-Base interactions energy: -1279.498
where: short stacking energy: -560.558
Base-Backbone interact. energy: -1.141
local terms energy: -634.977685
where:
bonds (distance) C4'-P energy: -106.022
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -153.204
flat angles P-C4'-P energy: -88.320
tors. eta vs tors. theta energy: -152.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1794.813986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.813986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.813986 (E_RNA)
where:
Base-Base interactions energy: -1221.113
where: short stacking energy: -493.556
Base-Backbone interact. energy: -1.016
local terms energy: -572.685668
where:
bonds (distance) C4'-P energy: -121.407
bonds (distance) P-C4' energy: -130.278
flat angles C4'-P-C4' energy: -138.493
flat angles P-C4'-P energy: -67.474
tors. eta vs tors. theta energy: -115.033
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: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1412.465385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.465385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.465385 (E_RNA)
where:
Base-Base interactions energy: -916.911
where: short stacking energy: -444.093
Base-Backbone interact. energy: -0.483
local terms energy: -495.070938
where:
bonds (distance) C4'-P energy: -112.047
bonds (distance) P-C4' energy: -108.526
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -54.712
tors. eta vs tors. theta energy: -102.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -997.168715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.168715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.168715 (E_RNA)
where:
Base-Base interactions energy: -564.871
where: short stacking energy: -261.216
Base-Backbone interact. energy: 4.729
local terms energy: -437.026271
where:
bonds (distance) C4'-P energy: -107.870
bonds (distance) P-C4' energy: -135.456
flat angles C4'-P-C4' energy: -99.982
flat angles P-C4'-P energy: -61.632
tors. eta vs tors. theta energy: -32.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1166.482850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.482850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.482850 (E_RNA)
where:
Base-Base interactions energy: -746.583
where: short stacking energy: -358.027
Base-Backbone interact. energy: 1.438
local terms energy: -421.337899
where:
bonds (distance) C4'-P energy: -92.777
bonds (distance) P-C4' energy: -117.933
flat angles C4'-P-C4' energy: -97.081
flat angles P-C4'-P energy: -63.034
tors. eta vs tors. theta energy: -50.513
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: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2587.988680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.988680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.988680 (E_RNA)
where:
Base-Base interactions energy: -1799.068
where: short stacking energy: -787.934
Base-Backbone interact. energy: -9.256
local terms energy: -779.664581
where:
bonds (distance) C4'-P energy: -133.988
bonds (distance) P-C4' energy: -140.745
flat angles C4'-P-C4' energy: -164.425
flat angles P-C4'-P energy: -104.019
tors. eta vs tors. theta energy: -236.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2547.548184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.548184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.548184 (E_RNA)
where:
Base-Base interactions energy: -1787.240
where: short stacking energy: -728.003
Base-Backbone interact. energy: 1.515
local terms energy: -761.823349
where:
bonds (distance) C4'-P energy: -123.179
bonds (distance) P-C4' energy: -157.860
flat angles C4'-P-C4' energy: -159.256
flat angles P-C4'-P energy: -104.488
tors. eta vs tors. theta energy: -217.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2414.137778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.137778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.137778 (E_RNA)
where:
Base-Base interactions energy: -1672.435
where: short stacking energy: -705.984
Base-Backbone interact. energy: -3.589
local terms energy: -738.113624
where:
bonds (distance) C4'-P energy: -118.463
bonds (distance) P-C4' energy: -153.326
flat angles C4'-P-C4' energy: -145.371
flat angles P-C4'-P energy: -111.396
tors. eta vs tors. theta energy: -209.558
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2432.469132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.469132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.469132 (E_RNA)
where:
Base-Base interactions energy: -1682.405
where: short stacking energy: -728.512
Base-Backbone interact. energy: -2.545
local terms energy: -747.519072
where:
bonds (distance) C4'-P energy: -152.107
bonds (distance) P-C4' energy: -126.050
flat angles C4'-P-C4' energy: -157.781
flat angles P-C4'-P energy: -107.276
tors. eta vs tors. theta energy: -204.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2177.163058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.163058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.163058 (E_RNA)
where:
Base-Base interactions energy: -1505.047
where: short stacking energy: -637.387
Base-Backbone interact. energy: -2.199
local terms energy: -669.917536
where:
bonds (distance) C4'-P energy: -110.052
bonds (distance) P-C4' energy: -123.238
flat angles C4'-P-C4' energy: -151.523
flat angles P-C4'-P energy: -101.977
tors. eta vs tors. theta energy: -183.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1934.617647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.617647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.617647 (E_RNA)
where:
Base-Base interactions energy: -1305.108
where: short stacking energy: -574.821
Base-Backbone interact. energy: -3.203
local terms energy: -626.306952
where:
bonds (distance) C4'-P energy: -110.679
bonds (distance) P-C4' energy: -121.087
flat angles C4'-P-C4' energy: -151.034
flat angles P-C4'-P energy: -86.868
tors. eta vs tors. theta energy: -156.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1776.967159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.967159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.967159 (E_RNA)
where:
Base-Base interactions energy: -1204.284
where: short stacking energy: -531.297
Base-Backbone interact. energy: 0.495
local terms energy: -573.178417
where:
bonds (distance) C4'-P energy: -105.658
bonds (distance) P-C4' energy: -123.729
flat angles C4'-P-C4' energy: -120.191
flat angles P-C4'-P energy: -77.695
tors. eta vs tors. theta energy: -145.905
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1405.324300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.324300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.324300 (E_RNA)
where:
Base-Base interactions energy: -872.314
where: short stacking energy: -437.439
Base-Backbone interact. energy: 3.160
local terms energy: -536.170667
where:
bonds (distance) C4'-P energy: -115.701
bonds (distance) P-C4' energy: -112.077
flat angles C4'-P-C4' energy: -131.974
flat angles P-C4'-P energy: -80.737
tors. eta vs tors. theta energy: -95.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1014.860183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.860183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.860183 (E_RNA)
where:
Base-Base interactions energy: -581.202
where: short stacking energy: -278.244
Base-Backbone interact. energy: -1.958
local terms energy: -431.700605
where:
bonds (distance) C4'-P energy: -109.383
bonds (distance) P-C4' energy: -117.414
flat angles C4'-P-C4' energy: -115.206
flat angles P-C4'-P energy: -53.034
tors. eta vs tors. theta energy: -36.663
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: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1136.390016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.390016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.390016 (E_RNA)
where:
Base-Base interactions energy: -699.319
where: short stacking energy: -299.982
Base-Backbone interact. energy: 2.110
local terms energy: -439.181526
where:
bonds (distance) C4'-P energy: -102.870
bonds (distance) P-C4' energy: -119.169
flat angles C4'-P-C4' energy: -110.012
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -35.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2567.279497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.279497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.279497 (E_RNA)
where:
Base-Base interactions energy: -1796.231
where: short stacking energy: -782.556
Base-Backbone interact. energy: -2.167
local terms energy: -768.881604
where:
bonds (distance) C4'-P energy: -140.048
bonds (distance) P-C4' energy: -137.218
flat angles C4'-P-C4' energy: -156.431
flat angles P-C4'-P energy: -102.617
tors. eta vs tors. theta energy: -232.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2558.556660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.556660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.556660 (E_RNA)
where:
Base-Base interactions energy: -1788.576
where: short stacking energy: -722.184
Base-Backbone interact. energy: -4.778
local terms energy: -765.203288
where:
bonds (distance) C4'-P energy: -138.045
bonds (distance) P-C4' energy: -129.283
flat angles C4'-P-C4' energy: -164.253
flat angles P-C4'-P energy: -116.332
tors. eta vs tors. theta energy: -217.289
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2428.264226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.264226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.264226 (E_RNA)
where:
Base-Base interactions energy: -1692.766
where: short stacking energy: -707.081
Base-Backbone interact. energy: 1.711
local terms energy: -737.209627
where:
bonds (distance) C4'-P energy: -132.187
bonds (distance) P-C4' energy: -130.244
flat angles C4'-P-C4' energy: -154.456
flat angles P-C4'-P energy: -115.378
tors. eta vs tors. theta energy: -204.945
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: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2354.894298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.894298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.894298 (E_RNA)
where:
Base-Base interactions energy: -1666.647
where: short stacking energy: -702.075
Base-Backbone interact. energy: 2.247
local terms energy: -690.495023
where:
bonds (distance) C4'-P energy: -129.638
bonds (distance) P-C4' energy: -123.749
flat angles C4'-P-C4' energy: -144.333
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -204.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2167.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.147098 (E_RNA)
where:
Base-Base interactions energy: -1493.234
where: short stacking energy: -622.147
Base-Backbone interact. energy: -4.217
local terms energy: -669.695362
where:
bonds (distance) C4'-P energy: -132.858
bonds (distance) P-C4' energy: -123.645
flat angles C4'-P-C4' energy: -144.094
flat angles P-C4'-P energy: -94.778
tors. eta vs tors. theta energy: -174.320
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: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1963.220080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.220080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.220080 (E_RNA)
where:
Base-Base interactions energy: -1368.305
where: short stacking energy: -575.722
Base-Backbone interact. energy: -2.681
local terms energy: -592.233365
where:
bonds (distance) C4'-P energy: -106.150
bonds (distance) P-C4' energy: -107.335
flat angles C4'-P-C4' energy: -127.557
flat angles P-C4'-P energy: -83.280
tors. eta vs tors. theta energy: -167.911
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: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1760.319527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.319527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.319527 (E_RNA)
where:
Base-Base interactions energy: -1193.455
where: short stacking energy: -511.809
Base-Backbone interact. energy: -1.526
local terms energy: -565.338396
where:
bonds (distance) C4'-P energy: -105.159
bonds (distance) P-C4' energy: -129.475
flat angles C4'-P-C4' energy: -134.481
flat angles P-C4'-P energy: -64.887
tors. eta vs tors. theta energy: -131.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1393.584790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.584790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.584790 (E_RNA)
where:
Base-Base interactions energy: -905.061
where: short stacking energy: -423.540
Base-Backbone interact. energy: 1.047
local terms energy: -489.570700
where:
bonds (distance) C4'-P energy: -106.754
bonds (distance) P-C4' energy: -97.692
flat angles C4'-P-C4' energy: -128.535
flat angles P-C4'-P energy: -66.906
tors. eta vs tors. theta energy: -89.684
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1054.998062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.998062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.998062 (E_RNA)
where:
Base-Base interactions energy: -596.714
where: short stacking energy: -291.374
Base-Backbone interact. energy: -3.182
local terms energy: -455.101955
where:
bonds (distance) C4'-P energy: -114.510
bonds (distance) P-C4' energy: -116.117
flat angles C4'-P-C4' energy: -114.696
flat angles P-C4'-P energy: -72.210
tors. eta vs tors. theta energy: -37.568
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: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1049.740148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.740148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.740148 (E_RNA)
where:
Base-Base interactions energy: -621.073
where: short stacking energy: -304.771
Base-Backbone interact. energy: 4.077
local terms energy: -432.744220
where:
bonds (distance) C4'-P energy: -95.388
bonds (distance) P-C4' energy: -109.117
flat angles C4'-P-C4' energy: -117.533
flat angles P-C4'-P energy: -72.502
tors. eta vs tors. theta energy: -38.205
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: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2570.696191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.696191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.696191 (E_RNA)
where:
Base-Base interactions energy: -1788.186
where: short stacking energy: -785.148
Base-Backbone interact. energy: -2.308
local terms energy: -780.202312
where:
bonds (distance) C4'-P energy: -138.226
bonds (distance) P-C4' energy: -130.567
flat angles C4'-P-C4' energy: -166.674
flat angles P-C4'-P energy: -105.620
tors. eta vs tors. theta energy: -239.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2563.393218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.393218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.393218 (E_RNA)
where:
Base-Base interactions energy: -1761.622
where: short stacking energy: -718.257
Base-Backbone interact. energy: -1.831
local terms energy: -799.939695
where:
bonds (distance) C4'-P energy: -154.517
bonds (distance) P-C4' energy: -143.145
flat angles C4'-P-C4' energy: -169.745
flat angles P-C4'-P energy: -112.810
tors. eta vs tors. theta energy: -219.723
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: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2427.307475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.307475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.307475 (E_RNA)
where:
Base-Base interactions energy: -1691.139
where: short stacking energy: -711.357
Base-Backbone interact. energy: -0.636
local terms energy: -735.531842
where:
bonds (distance) C4'-P energy: -134.940
bonds (distance) P-C4' energy: -137.880
flat angles C4'-P-C4' energy: -155.788
flat angles P-C4'-P energy: -101.765
tors. eta vs tors. theta energy: -205.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2366.324846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.324846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.324846 (E_RNA)
where:
Base-Base interactions energy: -1625.220
where: short stacking energy: -688.861
Base-Backbone interact. energy: 0.036
local terms energy: -741.140477
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -146.283
flat angles C4'-P-C4' energy: -168.679
flat angles P-C4'-P energy: -104.101
tors. eta vs tors. theta energy: -191.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2171.472621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.472621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.472621 (E_RNA)
where:
Base-Base interactions energy: -1513.074
where: short stacking energy: -636.968
Base-Backbone interact. energy: -0.351
local terms energy: -658.047535
where:
bonds (distance) C4'-P energy: -113.004
bonds (distance) P-C4' energy: -122.519
flat angles C4'-P-C4' energy: -144.904
flat angles P-C4'-P energy: -96.744
tors. eta vs tors. theta energy: -180.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2010.423835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.423835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.423835 (E_RNA)
where:
Base-Base interactions energy: -1382.685
where: short stacking energy: -593.594
Base-Backbone interact. energy: -3.143
local terms energy: -624.596096
where:
bonds (distance) C4'-P energy: -100.019
bonds (distance) P-C4' energy: -124.952
flat angles C4'-P-C4' energy: -139.301
flat angles P-C4'-P energy: -91.730
tors. eta vs tors. theta energy: -168.595
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: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1722.315841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.315841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.315841 (E_RNA)
where:
Base-Base interactions energy: -1171.774
where: short stacking energy: -487.368
Base-Backbone interact. energy: 0.735
local terms energy: -551.277640
where:
bonds (distance) C4'-P energy: -110.607
bonds (distance) P-C4' energy: -132.215
flat angles C4'-P-C4' energy: -137.283
flat angles P-C4'-P energy: -68.889
tors. eta vs tors. theta energy: -102.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1386.817274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.817274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.817274 (E_RNA)
where:
Base-Base interactions energy: -874.644
where: short stacking energy: -422.207
Base-Backbone interact. energy: 2.300
local terms energy: -514.473760
where:
bonds (distance) C4'-P energy: -111.539
bonds (distance) P-C4' energy: -119.558
flat angles C4'-P-C4' energy: -116.841
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -100.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -994.919526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.919526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.919526 (E_RNA)
where:
Base-Base interactions energy: -567.242
where: short stacking energy: -297.744
Base-Backbone interact. energy: -3.572
local terms energy: -424.105641
where:
bonds (distance) C4'-P energy: -112.922
bonds (distance) P-C4' energy: -117.223
flat angles C4'-P-C4' energy: -95.046
flat angles P-C4'-P energy: -70.768
tors. eta vs tors. theta energy: -28.146
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: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1047.477152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.477152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.477152 (E_RNA)
where:
Base-Base interactions energy: -630.927
where: short stacking energy: -297.333
Base-Backbone interact. energy: 1.155
local terms energy: -417.704957
where:
bonds (distance) C4'-P energy: -117.977
bonds (distance) P-C4' energy: -106.469
flat angles C4'-P-C4' energy: -113.295
flat angles P-C4'-P energy: -51.536
tors. eta vs tors. theta energy: -28.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2602.345082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.345082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.345082 (E_RNA)
where:
Base-Base interactions energy: -1827.043
where: short stacking energy: -763.528
Base-Backbone interact. energy: -1.969
local terms energy: -773.333341
where:
bonds (distance) C4'-P energy: -140.429
bonds (distance) P-C4' energy: -157.052
flat angles C4'-P-C4' energy: -147.541
flat angles P-C4'-P energy: -112.274
tors. eta vs tors. theta energy: -216.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2546.965870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.965870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.965870 (E_RNA)
where:
Base-Base interactions energy: -1756.150
where: short stacking energy: -777.974
Base-Backbone interact. energy: -0.869
local terms energy: -789.947142
where:
bonds (distance) C4'-P energy: -140.606
bonds (distance) P-C4' energy: -138.237
flat angles C4'-P-C4' energy: -167.618
flat angles P-C4'-P energy: -102.501
tors. eta vs tors. theta energy: -240.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2427.938744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.938744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.938744 (E_RNA)
where:
Base-Base interactions energy: -1714.717
where: short stacking energy: -720.027
Base-Backbone interact. energy: -1.394
local terms energy: -711.827278
where:
bonds (distance) C4'-P energy: -127.184
bonds (distance) P-C4' energy: -132.994
flat angles C4'-P-C4' energy: -150.123
flat angles P-C4'-P energy: -91.608
tors. eta vs tors. theta energy: -209.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2338.433833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.433833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.433833 (E_RNA)
where:
Base-Base interactions energy: -1618.526
where: short stacking energy: -684.833
Base-Backbone interact. energy: -1.099
local terms energy: -718.808706
where:
bonds (distance) C4'-P energy: -129.817
bonds (distance) P-C4' energy: -135.319
flat angles C4'-P-C4' energy: -152.052
flat angles P-C4'-P energy: -97.560
tors. eta vs tors. theta energy: -204.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2170.705175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.705175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.705175 (E_RNA)
where:
Base-Base interactions energy: -1502.223
where: short stacking energy: -619.503
Base-Backbone interact. energy: -1.372
local terms energy: -667.110082
where:
bonds (distance) C4'-P energy: -127.044
bonds (distance) P-C4' energy: -122.028
flat angles C4'-P-C4' energy: -149.378
flat angles P-C4'-P energy: -96.082
tors. eta vs tors. theta energy: -172.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2023.512981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.512981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.512981 (E_RNA)
where:
Base-Base interactions energy: -1385.457
where: short stacking energy: -602.369
Base-Backbone interact. energy: -4.522
local terms energy: -633.533527
where:
bonds (distance) C4'-P energy: -107.344
bonds (distance) P-C4' energy: -132.139
flat angles C4'-P-C4' energy: -124.858
flat angles P-C4'-P energy: -90.746
tors. eta vs tors. theta energy: -178.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1712.983661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.983661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.983661 (E_RNA)
where:
Base-Base interactions energy: -1158.486
where: short stacking energy: -480.650
Base-Backbone interact. energy: -1.656
local terms energy: -552.840973
where:
bonds (distance) C4'-P energy: -120.396
bonds (distance) P-C4' energy: -120.778
flat angles C4'-P-C4' energy: -137.075
flat angles P-C4'-P energy: -68.587
tors. eta vs tors. theta energy: -106.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1398.618153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.618153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.618153 (E_RNA)
where:
Base-Base interactions energy: -885.967
where: short stacking energy: -405.347
Base-Backbone interact. energy: 1.923
local terms energy: -514.574751
where:
bonds (distance) C4'-P energy: -109.750
bonds (distance) P-C4' energy: -120.502
flat angles C4'-P-C4' energy: -127.130
flat angles P-C4'-P energy: -62.885
tors. eta vs tors. theta energy: -94.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1020.736093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.736093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.736093 (E_RNA)
where:
Base-Base interactions energy: -547.148
where: short stacking energy: -295.357
Base-Backbone interact. energy: -4.116
local terms energy: -469.472011
where:
bonds (distance) C4'-P energy: -120.994
bonds (distance) P-C4' energy: -130.281
flat angles C4'-P-C4' energy: -121.062
flat angles P-C4'-P energy: -71.546
tors. eta vs tors. theta energy: -25.588
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: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1074.901596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.901596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.901596 (E_RNA)
where:
Base-Base interactions energy: -664.412
where: short stacking energy: -300.484
Base-Backbone interact. energy: -1.833
local terms energy: -408.656560
where:
bonds (distance) C4'-P energy: -116.007
bonds (distance) P-C4' energy: -109.199
flat angles C4'-P-C4' energy: -108.255
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2596.071051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.071051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.071051 (E_RNA)
where:
Base-Base interactions energy: -1819.639
where: short stacking energy: -750.275
Base-Backbone interact. energy: -0.820
local terms energy: -775.612593
where:
bonds (distance) C4'-P energy: -145.890
bonds (distance) P-C4' energy: -151.800
flat angles C4'-P-C4' energy: -162.377
flat angles P-C4'-P energy: -106.074
tors. eta vs tors. theta energy: -209.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2517.581126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.581126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.581126 (E_RNA)
where:
Base-Base interactions energy: -1744.523
where: short stacking energy: -758.055
Base-Backbone interact. energy: -2.606
local terms energy: -770.452632
where:
bonds (distance) C4'-P energy: -130.093
bonds (distance) P-C4' energy: -139.352
flat angles C4'-P-C4' energy: -172.704
flat angles P-C4'-P energy: -101.055
tors. eta vs tors. theta energy: -227.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2426.120764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.120764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.120764 (E_RNA)
where:
Base-Base interactions energy: -1694.505
where: short stacking energy: -713.660
Base-Backbone interact. energy: -2.076
local terms energy: -729.539881
where:
bonds (distance) C4'-P energy: -129.777
bonds (distance) P-C4' energy: -133.761
flat angles C4'-P-C4' energy: -158.000
flat angles P-C4'-P energy: -95.958
tors. eta vs tors. theta energy: -212.044
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: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2326.738027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.738027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.738027 (E_RNA)
where:
Base-Base interactions energy: -1624.321
where: short stacking energy: -682.768
Base-Backbone interact. energy: -2.488
local terms energy: -699.928853
where:
bonds (distance) C4'-P energy: -132.050
bonds (distance) P-C4' energy: -119.218
flat angles C4'-P-C4' energy: -152.898
flat angles P-C4'-P energy: -88.818
tors. eta vs tors. theta energy: -206.945
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: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2148.761696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.761696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.761696 (E_RNA)
where:
Base-Base interactions energy: -1449.058
where: short stacking energy: -612.175
Base-Backbone interact. energy: -1.428
local terms energy: -698.275915
where:
bonds (distance) C4'-P energy: -122.945
bonds (distance) P-C4' energy: -143.875
flat angles C4'-P-C4' energy: -153.957
flat angles P-C4'-P energy: -97.010
tors. eta vs tors. theta energy: -180.489
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1984.812011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.812011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.812011 (E_RNA)
where:
Base-Base interactions energy: -1344.244
where: short stacking energy: -556.486
Base-Backbone interact. energy: -0.457
local terms energy: -640.110690
where:
bonds (distance) C4'-P energy: -112.201
bonds (distance) P-C4' energy: -137.362
flat angles C4'-P-C4' energy: -140.620
flat angles P-C4'-P energy: -88.022
tors. eta vs tors. theta energy: -161.905
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: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1735.995081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.995081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.995081 (E_RNA)
where:
Base-Base interactions energy: -1183.691
where: short stacking energy: -500.391
Base-Backbone interact. energy: 1.415
local terms energy: -553.719184
where:
bonds (distance) C4'-P energy: -103.672
bonds (distance) P-C4' energy: -134.180
flat angles C4'-P-C4' energy: -125.367
flat angles P-C4'-P energy: -81.167
tors. eta vs tors. theta energy: -109.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1471.800179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.800179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.800179 (E_RNA)
where:
Base-Base interactions energy: -964.216
where: short stacking energy: -436.417
Base-Backbone interact. energy: -0.698
local terms energy: -506.885657
where:
bonds (distance) C4'-P energy: -110.848
bonds (distance) P-C4' energy: -107.555
flat angles C4'-P-C4' energy: -122.592
flat angles P-C4'-P energy: -75.855
tors. eta vs tors. theta energy: -90.036
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: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -963.820095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.820095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.820095 (E_RNA)
where:
Base-Base interactions energy: -544.234
where: short stacking energy: -279.454
Base-Backbone interact. energy: 9.628
local terms energy: -429.213571
where:
bonds (distance) C4'-P energy: -122.831
bonds (distance) P-C4' energy: -120.051
flat angles C4'-P-C4' energy: -102.683
flat angles P-C4'-P energy: -71.915
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1100.575508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.575508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.575508 (E_RNA)
where:
Base-Base interactions energy: -650.189
where: short stacking energy: -328.819
Base-Backbone interact. energy: -3.458
local terms energy: -446.928879
where:
bonds (distance) C4'-P energy: -96.058
bonds (distance) P-C4' energy: -108.752
flat angles C4'-P-C4' energy: -114.341
flat angles P-C4'-P energy: -79.838
tors. eta vs tors. theta energy: -47.940
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: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2610.785588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.785588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.785588 (E_RNA)
where:
Base-Base interactions energy: -1828.368
where: short stacking energy: -778.079
Base-Backbone interact. energy: -4.027
local terms energy: -778.390010
where:
bonds (distance) C4'-P energy: -135.822
bonds (distance) P-C4' energy: -149.685
flat angles C4'-P-C4' energy: -165.536
flat angles P-C4'-P energy: -107.551
tors. eta vs tors. theta energy: -219.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2565.277034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.277034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.277034 (E_RNA)
where:
Base-Base interactions energy: -1753.779
where: short stacking energy: -770.317
Base-Backbone interact. energy: -1.062
local terms energy: -810.436596
where:
bonds (distance) C4'-P energy: -135.672
bonds (distance) P-C4' energy: -152.371
flat angles C4'-P-C4' energy: -167.794
flat angles P-C4'-P energy: -113.015
tors. eta vs tors. theta energy: -241.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2464.520090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.520090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.520090 (E_RNA)
where:
Base-Base interactions energy: -1713.180
where: short stacking energy: -732.989
Base-Backbone interact. energy: -2.308
local terms energy: -749.031442
where:
bonds (distance) C4'-P energy: -138.698
bonds (distance) P-C4' energy: -132.362
flat angles C4'-P-C4' energy: -169.406
flat angles P-C4'-P energy: -99.797
tors. eta vs tors. theta energy: -208.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2332.431436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.431436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.431436 (E_RNA)
where:
Base-Base interactions energy: -1630.204
where: short stacking energy: -670.367
Base-Backbone interact. energy: -3.304
local terms energy: -698.923360
where:
bonds (distance) C4'-P energy: -125.583
bonds (distance) P-C4' energy: -133.518
flat angles C4'-P-C4' energy: -153.061
flat angles P-C4'-P energy: -88.005
tors. eta vs tors. theta energy: -198.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2210.892762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.892762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.892762 (E_RNA)
where:
Base-Base interactions energy: -1544.719
where: short stacking energy: -651.847
Base-Backbone interact. energy: 0.703
local terms energy: -666.877124
where:
bonds (distance) C4'-P energy: -117.678
bonds (distance) P-C4' energy: -132.711
flat angles C4'-P-C4' energy: -145.249
flat angles P-C4'-P energy: -86.657
tors. eta vs tors. theta energy: -184.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2030.287830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.287830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.287830 (E_RNA)
where:
Base-Base interactions energy: -1391.256
where: short stacking energy: -597.860
Base-Backbone interact. energy: 5.774
local terms energy: -644.805855
where:
bonds (distance) C4'-P energy: -118.275
bonds (distance) P-C4' energy: -127.426
flat angles C4'-P-C4' energy: -148.776
flat angles P-C4'-P energy: -84.217
tors. eta vs tors. theta energy: -166.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1695.243896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.243896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.243896 (E_RNA)
where:
Base-Base interactions energy: -1160.536
where: short stacking energy: -467.494
Base-Backbone interact. energy: 1.088
local terms energy: -535.795710
where:
bonds (distance) C4'-P energy: -113.107
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -125.286
flat angles P-C4'-P energy: -75.616
tors. eta vs tors. theta energy: -88.250
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: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1483.536749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.536749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.536749 (E_RNA)
where:
Base-Base interactions energy: -944.622
where: short stacking energy: -411.380
Base-Backbone interact. energy: -4.953
local terms energy: -533.961846
where:
bonds (distance) C4'-P energy: -109.230
bonds (distance) P-C4' energy: -136.415
flat angles C4'-P-C4' energy: -129.261
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -83.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1134.536267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.536267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.536267 (E_RNA)
where:
Base-Base interactions energy: -661.720
where: short stacking energy: -331.357
Base-Backbone interact. energy: -3.844
local terms energy: -468.972592
where:
bonds (distance) C4'-P energy: -123.128
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -102.904
flat angles P-C4'-P energy: -70.443
tors. eta vs tors. theta energy: -52.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -924.668985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.668985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.668985 (E_RNA)
where:
Base-Base interactions energy: -523.776
where: short stacking energy: -260.830
Base-Backbone interact. energy: 0.021
local terms energy: -400.913805
where:
bonds (distance) C4'-P energy: -113.572
bonds (distance) P-C4' energy: -109.805
flat angles C4'-P-C4' energy: -103.427
flat angles P-C4'-P energy: -60.987
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2636.495821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.495821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.495821 (E_RNA)
where:
Base-Base interactions energy: -1873.919
where: short stacking energy: -784.460
Base-Backbone interact. energy: -5.018
local terms energy: -757.558440
where:
bonds (distance) C4'-P energy: -126.392
bonds (distance) P-C4' energy: -148.533
flat angles C4'-P-C4' energy: -164.318
flat angles P-C4'-P energy: -102.883
tors. eta vs tors. theta energy: -215.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2549.482156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.482156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.482156 (E_RNA)
where:
Base-Base interactions energy: -1761.280
where: short stacking energy: -778.200
Base-Backbone interact. energy: 2.217
local terms energy: -790.419311
where:
bonds (distance) C4'-P energy: -134.434
bonds (distance) P-C4' energy: -130.806
flat angles C4'-P-C4' energy: -176.675
flat angles P-C4'-P energy: -111.237
tors. eta vs tors. theta energy: -237.267
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: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2411.221377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.221377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.221377 (E_RNA)
where:
Base-Base interactions energy: -1667.120
where: short stacking energy: -696.577
Base-Backbone interact. energy: 1.818
local terms energy: -745.919504
where:
bonds (distance) C4'-P energy: -146.685
bonds (distance) P-C4' energy: -134.732
flat angles C4'-P-C4' energy: -163.128
flat angles P-C4'-P energy: -93.159
tors. eta vs tors. theta energy: -208.215
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: 483
Temperature: 1.050000
Total energy: -2338.696421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.696421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.696421 (E_RNA)
where:
Base-Base interactions energy: -1635.071
where: short stacking energy: -710.846
Base-Backbone interact. energy: 0.398
local terms energy: -704.023173
where:
bonds (distance) C4'-P energy: -125.133
bonds (distance) P-C4' energy: -131.421
flat angles C4'-P-C4' energy: -164.098
flat angles P-C4'-P energy: -86.190
tors. eta vs tors. theta energy: -197.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2176.713644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.713644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.713644 (E_RNA)
where:
Base-Base interactions energy: -1499.863
where: short stacking energy: -631.849
Base-Backbone interact. energy: -2.553
local terms energy: -674.297557
where:
bonds (distance) C4'-P energy: -132.141
bonds (distance) P-C4' energy: -110.568
flat angles C4'-P-C4' energy: -150.804
flat angles P-C4'-P energy: -99.251
tors. eta vs tors. theta energy: -181.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1995.703152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.703152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.703152 (E_RNA)
where:
Base-Base interactions energy: -1355.164
where: short stacking energy: -583.326
Base-Backbone interact. energy: 2.311
local terms energy: -642.850364
where:
bonds (distance) C4'-P energy: -105.190
bonds (distance) P-C4' energy: -131.811
flat angles C4'-P-C4' energy: -143.242
flat angles P-C4'-P energy: -100.518
tors. eta vs tors. theta energy: -162.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1747.866990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.866990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.866990 (E_RNA)
where:
Base-Base interactions energy: -1183.860
where: short stacking energy: -490.627
Base-Backbone interact. energy: -0.682
local terms energy: -563.324605
where:
bonds (distance) C4'-P energy: -94.233
bonds (distance) P-C4' energy: -132.501
flat angles C4'-P-C4' energy: -128.238
flat angles P-C4'-P energy: -78.930
tors. eta vs tors. theta energy: -129.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1344.437501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.437501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.437501 (E_RNA)
where:
Base-Base interactions energy: -844.102
where: short stacking energy: -420.794
Base-Backbone interact. energy: -2.479
local terms energy: -497.856704
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -128.603
flat angles C4'-P-C4' energy: -117.956
flat angles P-C4'-P energy: -70.936
tors. eta vs tors. theta energy: -82.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1147.542415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.542415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.542415 (E_RNA)
where:
Base-Base interactions energy: -699.649
where: short stacking energy: -300.511
Base-Backbone interact. energy: 0.139
local terms energy: -448.032193
where:
bonds (distance) C4'-P energy: -129.934
bonds (distance) P-C4' energy: -116.727
flat angles C4'-P-C4' energy: -97.117
flat angles P-C4'-P energy: -58.841
tors. eta vs tors. theta energy: -45.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -850.087299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.087299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.087299 (E_RNA)
where:
Base-Base interactions energy: -456.186
where: short stacking energy: -241.994
Base-Backbone interact. energy: 1.997
local terms energy: -395.898106
where:
bonds (distance) C4'-P energy: -125.083
bonds (distance) P-C4' energy: -108.081
flat angles C4'-P-C4' energy: -100.623
flat angles P-C4'-P energy: -57.598
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2614.190105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.190105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.190105 (E_RNA)
where:
Base-Base interactions energy: -1855.617
where: short stacking energy: -767.354
Base-Backbone interact. energy: -4.795
local terms energy: -753.778161
where:
bonds (distance) C4'-P energy: -136.853
bonds (distance) P-C4' energy: -132.506
flat angles C4'-P-C4' energy: -154.988
flat angles P-C4'-P energy: -110.471
tors. eta vs tors. theta energy: -218.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2526.788366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.788366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.788366 (E_RNA)
where:
Base-Base interactions energy: -1756.447
where: short stacking energy: -771.738
Base-Backbone interact. energy: -2.418
local terms energy: -767.923324
where:
bonds (distance) C4'-P energy: -147.044
bonds (distance) P-C4' energy: -132.380
flat angles C4'-P-C4' energy: -162.925
flat angles P-C4'-P energy: -115.416
tors. eta vs tors. theta energy: -210.158
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: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2438.854976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.854976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.854976 (E_RNA)
where:
Base-Base interactions energy: -1702.888
where: short stacking energy: -733.103
Base-Backbone interact. energy: -3.258
local terms energy: -732.708486
where:
bonds (distance) C4'-P energy: -122.844
bonds (distance) P-C4' energy: -132.405
flat angles C4'-P-C4' energy: -158.778
flat angles P-C4'-P energy: -105.064
tors. eta vs tors. theta energy: -213.618
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: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2350.351592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.351592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.351592 (E_RNA)
where:
Base-Base interactions energy: -1644.756
where: short stacking energy: -721.647
Base-Backbone interact. energy: -3.656
local terms energy: -701.938864
where:
bonds (distance) C4'-P energy: -117.449
bonds (distance) P-C4' energy: -119.314
flat angles C4'-P-C4' energy: -150.241
flat angles P-C4'-P energy: -109.953
tors. eta vs tors. theta energy: -204.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2174.263307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.263307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.263307 (E_RNA)
where:
Base-Base interactions energy: -1507.490
where: short stacking energy: -662.581
Base-Backbone interact. energy: 0.692
local terms energy: -667.465395
where:
bonds (distance) C4'-P energy: -110.205
bonds (distance) P-C4' energy: -133.356
flat angles C4'-P-C4' energy: -153.957
flat angles P-C4'-P energy: -90.217
tors. eta vs tors. theta energy: -179.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2013.334193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.334193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.334193 (E_RNA)
where:
Base-Base interactions energy: -1360.634
where: short stacking energy: -622.257
Base-Backbone interact. energy: -1.269
local terms energy: -651.431912
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -120.565
flat angles C4'-P-C4' energy: -135.264
flat angles P-C4'-P energy: -92.076
tors. eta vs tors. theta energy: -176.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1754.829481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.829481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.829481 (E_RNA)
where:
Base-Base interactions energy: -1199.018
where: short stacking energy: -489.869
Base-Backbone interact. energy: 0.743
local terms energy: -556.554454
where:
bonds (distance) C4'-P energy: -104.826
bonds (distance) P-C4' energy: -129.107
flat angles C4'-P-C4' energy: -137.841
flat angles P-C4'-P energy: -79.881
tors. eta vs tors. theta energy: -104.900
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: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1382.216302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.216302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.216302 (E_RNA)
where:
Base-Base interactions energy: -887.210
where: short stacking energy: -422.164
Base-Backbone interact. energy: -3.389
local terms energy: -491.617637
where:
bonds (distance) C4'-P energy: -103.535
bonds (distance) P-C4' energy: -122.884
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -74.387
tors. eta vs tors. theta energy: -72.173
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: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1178.530803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.530803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.530803 (E_RNA)
where:
Base-Base interactions energy: -706.767
where: short stacking energy: -323.819
Base-Backbone interact. energy: 0.361
local terms energy: -472.125103
where:
bonds (distance) C4'-P energy: -116.273
bonds (distance) P-C4' energy: -131.022
flat angles C4'-P-C4' energy: -108.013
flat angles P-C4'-P energy: -74.042
tors. eta vs tors. theta energy: -42.776
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: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -848.595502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.595502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.595502 (E_RNA)
where:
Base-Base interactions energy: -450.143
where: short stacking energy: -234.800
Base-Backbone interact. energy: -2.672
local terms energy: -395.780298
where:
bonds (distance) C4'-P energy: -112.806
bonds (distance) P-C4' energy: -104.030
flat angles C4'-P-C4' energy: -110.003
flat angles P-C4'-P energy: -51.475
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2593.245819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.245819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.245819 (E_RNA)
where:
Base-Base interactions energy: -1836.601
where: short stacking energy: -777.519
Base-Backbone interact. energy: -3.367
local terms energy: -753.278326
where:
bonds (distance) C4'-P energy: -135.365
bonds (distance) P-C4' energy: -127.773
flat angles C4'-P-C4' energy: -160.048
flat angles P-C4'-P energy: -113.855
tors. eta vs tors. theta energy: -216.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2528.802434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.802434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.802434 (E_RNA)
where:
Base-Base interactions energy: -1735.108
where: short stacking energy: -751.357
Base-Backbone interact. energy: -1.657
local terms energy: -792.037364
where:
bonds (distance) C4'-P energy: -143.873
bonds (distance) P-C4' energy: -152.847
flat angles C4'-P-C4' energy: -162.966
flat angles P-C4'-P energy: -104.591
tors. eta vs tors. theta energy: -227.760
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: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2402.943081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.943081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.943081 (E_RNA)
where:
Base-Base interactions energy: -1670.696
where: short stacking energy: -707.952
Base-Backbone interact. energy: -1.971
local terms energy: -730.276464
where:
bonds (distance) C4'-P energy: -122.018
bonds (distance) P-C4' energy: -136.136
flat angles C4'-P-C4' energy: -164.639
flat angles P-C4'-P energy: -101.128
tors. eta vs tors. theta energy: -206.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2375.495454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.495454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.495454 (E_RNA)
where:
Base-Base interactions energy: -1640.313
where: short stacking energy: -697.043
Base-Backbone interact. energy: -4.544
local terms energy: -730.638775
where:
bonds (distance) C4'-P energy: -117.465
bonds (distance) P-C4' energy: -132.322
flat angles C4'-P-C4' energy: -159.979
flat angles P-C4'-P energy: -114.889
tors. eta vs tors. theta energy: -205.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2145.735328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.735328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.735328 (E_RNA)
where:
Base-Base interactions energy: -1468.135
where: short stacking energy: -648.790
Base-Backbone interact. energy: -1.026
local terms energy: -676.574021
where:
bonds (distance) C4'-P energy: -137.303
bonds (distance) P-C4' energy: -122.060
flat angles C4'-P-C4' energy: -147.131
flat angles P-C4'-P energy: -86.255
tors. eta vs tors. theta energy: -183.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1961.754686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.754686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.754686 (E_RNA)
where:
Base-Base interactions energy: -1355.836
where: short stacking energy: -597.385
Base-Backbone interact. energy: -3.410
local terms energy: -602.508506
where:
bonds (distance) C4'-P energy: -101.272
bonds (distance) P-C4' energy: -121.237
flat angles C4'-P-C4' energy: -132.706
flat angles P-C4'-P energy: -84.988
tors. eta vs tors. theta energy: -162.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1833.359800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.359800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.359800 (E_RNA)
where:
Base-Base interactions energy: -1256.819
where: short stacking energy: -531.625
Base-Backbone interact. energy: -3.981
local terms energy: -572.559706
where:
bonds (distance) C4'-P energy: -121.114
bonds (distance) P-C4' energy: -124.095
flat angles C4'-P-C4' energy: -125.990
flat angles P-C4'-P energy: -84.308
tors. eta vs tors. theta energy: -117.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1368.168825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.168825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.168825 (E_RNA)
where:
Base-Base interactions energy: -833.116
where: short stacking energy: -397.822
Base-Backbone interact. energy: -2.111
local terms energy: -532.942380
where:
bonds (distance) C4'-P energy: -128.406
bonds (distance) P-C4' energy: -121.671
flat angles C4'-P-C4' energy: -133.186
flat angles P-C4'-P energy: -70.834
tors. eta vs tors. theta energy: -78.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1188.874010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.874010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.874010 (E_RNA)
where:
Base-Base interactions energy: -741.994
where: short stacking energy: -351.894
Base-Backbone interact. energy: 0.630
local terms energy: -447.509863
where:
bonds (distance) C4'-P energy: -103.087
bonds (distance) P-C4' energy: -119.657
flat angles C4'-P-C4' energy: -121.059
flat angles P-C4'-P energy: -63.811
tors. eta vs tors. theta energy: -39.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -865.440998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.440998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.440998 (E_RNA)
where:
Base-Base interactions energy: -451.728
where: short stacking energy: -238.624
Base-Backbone interact. energy: 3.590
local terms energy: -417.303262
where:
bonds (distance) C4'-P energy: -108.229
bonds (distance) P-C4' energy: -127.759
flat angles C4'-P-C4' energy: -115.078
flat angles P-C4'-P energy: -57.914
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2590.020294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.020294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.020294 (E_RNA)
where:
Base-Base interactions energy: -1816.245
where: short stacking energy: -794.962
Base-Backbone interact. energy: -1.852
local terms energy: -771.923756
where:
bonds (distance) C4'-P energy: -137.903
bonds (distance) P-C4' energy: -141.286
flat angles C4'-P-C4' energy: -156.873
flat angles P-C4'-P energy: -111.096
tors. eta vs tors. theta energy: -224.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2536.966211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.966211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.966211 (E_RNA)
where:
Base-Base interactions energy: -1757.183
where: short stacking energy: -763.786
Base-Backbone interact. energy: -0.205
local terms energy: -779.579071
where:
bonds (distance) C4'-P energy: -134.480
bonds (distance) P-C4' energy: -137.837
flat angles C4'-P-C4' energy: -165.269
flat angles P-C4'-P energy: -116.751
tors. eta vs tors. theta energy: -225.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2422.123488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.123488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.123488 (E_RNA)
where:
Base-Base interactions energy: -1705.865
where: short stacking energy: -701.917
Base-Backbone interact. energy: -3.802
local terms energy: -712.456727
where:
bonds (distance) C4'-P energy: -121.256
bonds (distance) P-C4' energy: -132.888
flat angles C4'-P-C4' energy: -157.654
flat angles P-C4'-P energy: -100.095
tors. eta vs tors. theta energy: -200.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2337.185206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.185206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.185206 (E_RNA)
where:
Base-Base interactions energy: -1608.277
where: short stacking energy: -673.199
Base-Backbone interact. energy: -1.931
local terms energy: -726.976824
where:
bonds (distance) C4'-P energy: -138.092
bonds (distance) P-C4' energy: -138.034
flat angles C4'-P-C4' energy: -144.218
flat angles P-C4'-P energy: -110.528
tors. eta vs tors. theta energy: -196.105
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: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2156.169194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.169194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.169194 (E_RNA)
where:
Base-Base interactions energy: -1494.076
where: short stacking energy: -628.329
Base-Backbone interact. energy: -2.763
local terms energy: -659.329610
where:
bonds (distance) C4'-P energy: -135.710
bonds (distance) P-C4' energy: -122.630
flat angles C4'-P-C4' energy: -149.898
flat angles P-C4'-P energy: -85.570
tors. eta vs tors. theta energy: -165.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1938.794738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.794738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.794738 (E_RNA)
where:
Base-Base interactions energy: -1340.588
where: short stacking energy: -580.598
Base-Backbone interact. energy: 1.452
local terms energy: -599.658468
where:
bonds (distance) C4'-P energy: -125.034
bonds (distance) P-C4' energy: -132.667
flat angles C4'-P-C4' energy: -116.199
flat angles P-C4'-P energy: -77.131
tors. eta vs tors. theta energy: -148.628
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: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1800.949064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.949064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.949064 (E_RNA)
where:
Base-Base interactions energy: -1208.769
where: short stacking energy: -489.702
Base-Backbone interact. energy: 0.507
local terms energy: -592.687421
where:
bonds (distance) C4'-P energy: -125.381
bonds (distance) P-C4' energy: -121.608
flat angles C4'-P-C4' energy: -131.393
flat angles P-C4'-P energy: -92.331
tors. eta vs tors. theta energy: -121.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1501.029194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.029194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.029194 (E_RNA)
where:
Base-Base interactions energy: -944.641
where: short stacking energy: -446.246
Base-Backbone interact. energy: -1.312
local terms energy: -555.076702
where:
bonds (distance) C4'-P energy: -115.852
bonds (distance) P-C4' energy: -129.114
flat angles C4'-P-C4' energy: -131.333
flat angles P-C4'-P energy: -82.303
tors. eta vs tors. theta energy: -96.475
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: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1218.175169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.175169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.175169 (E_RNA)
where:
Base-Base interactions energy: -766.355
where: short stacking energy: -336.521
Base-Backbone interact. energy: 2.678
local terms energy: -454.498402
where:
bonds (distance) C4'-P energy: -101.770
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -128.981
flat angles P-C4'-P energy: -59.022
tors. eta vs tors. theta energy: -46.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -880.364151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.364151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.364151 (E_RNA)
where:
Base-Base interactions energy: -465.864
where: short stacking energy: -232.948
Base-Backbone interact. energy: -1.024
local terms energy: -413.475505
where:
bonds (distance) C4'-P energy: -106.287
bonds (distance) P-C4' energy: -110.683
flat angles C4'-P-C4' energy: -121.672
flat angles P-C4'-P energy: -61.919
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2604.466973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.466973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.466973 (E_RNA)
where:
Base-Base interactions energy: -1817.823
where: short stacking energy: -746.692
Base-Backbone interact. energy: -2.621
local terms energy: -784.022490
where:
bonds (distance) C4'-P energy: -150.824
bonds (distance) P-C4' energy: -139.240
flat angles C4'-P-C4' energy: -163.371
flat angles P-C4'-P energy: -116.541
tors. eta vs tors. theta energy: -214.047
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: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2538.791292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.791292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.791292 (E_RNA)
where:
Base-Base interactions energy: -1767.180
where: short stacking energy: -752.097
Base-Backbone interact. energy: -0.921
local terms energy: -770.690573
where:
bonds (distance) C4'-P energy: -136.900
bonds (distance) P-C4' energy: -131.305
flat angles C4'-P-C4' energy: -163.511
flat angles P-C4'-P energy: -106.725
tors. eta vs tors. theta energy: -232.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2426.288723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.288723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.288723 (E_RNA)
where:
Base-Base interactions energy: -1694.921
where: short stacking energy: -703.426
Base-Backbone interact. energy: -4.564
local terms energy: -726.803537
where:
bonds (distance) C4'-P energy: -137.599
bonds (distance) P-C4' energy: -127.491
flat angles C4'-P-C4' energy: -154.793
flat angles P-C4'-P energy: -100.865
tors. eta vs tors. theta energy: -206.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2341.350735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.350735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.350735 (E_RNA)
where:
Base-Base interactions energy: -1607.803
where: short stacking energy: -703.304
Base-Backbone interact. energy: 0.040
local terms energy: -733.588234
where:
bonds (distance) C4'-P energy: -122.529
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -152.497
flat angles P-C4'-P energy: -101.032
tors. eta vs tors. theta energy: -214.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2140.823863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.823863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.823863 (E_RNA)
where:
Base-Base interactions energy: -1457.159
where: short stacking energy: -619.720
Base-Backbone interact. energy: -1.978
local terms energy: -681.686796
where:
bonds (distance) C4'-P energy: -134.001
bonds (distance) P-C4' energy: -115.049
flat angles C4'-P-C4' energy: -153.664
flat angles P-C4'-P energy: -102.274
tors. eta vs tors. theta energy: -176.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1945.467320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.467320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.467320 (E_RNA)
where:
Base-Base interactions energy: -1336.222
where: short stacking energy: -603.655
Base-Backbone interact. energy: -2.562
local terms energy: -606.683293
where:
bonds (distance) C4'-P energy: -108.497
bonds (distance) P-C4' energy: -112.250
flat angles C4'-P-C4' energy: -129.352
flat angles P-C4'-P energy: -97.524
tors. eta vs tors. theta energy: -159.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1814.281974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.281974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.281974 (E_RNA)
where:
Base-Base interactions energy: -1250.773
where: short stacking energy: -523.124
Base-Backbone interact. energy: -1.256
local terms energy: -562.252805
where:
bonds (distance) C4'-P energy: -112.493
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -132.815
flat angles P-C4'-P energy: -83.735
tors. eta vs tors. theta energy: -130.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1348.842945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.842945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.842945 (E_RNA)
where:
Base-Base interactions energy: -833.332
where: short stacking energy: -409.011
Base-Backbone interact. energy: -0.504
local terms energy: -515.007635
where:
bonds (distance) C4'-P energy: -132.798
bonds (distance) P-C4' energy: -123.864
flat angles C4'-P-C4' energy: -100.093
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -77.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1208.815064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.815064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.815064 (E_RNA)
where:
Base-Base interactions energy: -762.467
where: short stacking energy: -348.793
Base-Backbone interact. energy: 2.377
local terms energy: -448.725676
where:
bonds (distance) C4'-P energy: -112.077
bonds (distance) P-C4' energy: -103.469
flat angles C4'-P-C4' energy: -113.283
flat angles P-C4'-P energy: -69.333
tors. eta vs tors. theta energy: -50.563
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: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -939.254218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.254218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.254218 (E_RNA)
where:
Base-Base interactions energy: -541.399
where: short stacking energy: -255.416
Base-Backbone interact. energy: 0.594
local terms energy: -398.449008
where:
bonds (distance) C4'-P energy: -121.542
bonds (distance) P-C4' energy: -124.398
flat angles C4'-P-C4' energy: -89.920
flat angles P-C4'-P energy: -48.761
tors. eta vs tors. theta energy: -13.829
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: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2592.253349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.253349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.253349 (E_RNA)
where:
Base-Base interactions energy: -1812.967
where: short stacking energy: -768.631
Base-Backbone interact. energy: -1.864
local terms energy: -777.422358
where:
bonds (distance) C4'-P energy: -130.160
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -163.261
flat angles P-C4'-P energy: -122.531
tors. eta vs tors. theta energy: -231.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2568.957478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.957478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.957478 (E_RNA)
where:
Base-Base interactions energy: -1812.395
where: short stacking energy: -749.989
Base-Backbone interact. energy: -2.615
local terms energy: -753.948029
where:
bonds (distance) C4'-P energy: -139.571
bonds (distance) P-C4' energy: -125.688
flat angles C4'-P-C4' energy: -166.535
flat angles P-C4'-P energy: -104.649
tors. eta vs tors. theta energy: -217.505
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2444.884578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.884578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.884578 (E_RNA)
where:
Base-Base interactions energy: -1703.245
where: short stacking energy: -704.751
Base-Backbone interact. energy: -1.629
local terms energy: -740.010236
where:
bonds (distance) C4'-P energy: -131.813
bonds (distance) P-C4' energy: -135.061
flat angles C4'-P-C4' energy: -156.909
flat angles P-C4'-P energy: -110.503
tors. eta vs tors. theta energy: -205.724
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: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2327.822685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.822685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.822685 (E_RNA)
where:
Base-Base interactions energy: -1610.915
where: short stacking energy: -693.766
Base-Backbone interact. energy: -0.589
local terms energy: -716.319097
where:
bonds (distance) C4'-P energy: -127.070
bonds (distance) P-C4' energy: -136.018
flat angles C4'-P-C4' energy: -148.738
flat angles P-C4'-P energy: -101.507
tors. eta vs tors. theta energy: -202.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2143.087751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.087751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.087751 (E_RNA)
where:
Base-Base interactions energy: -1462.613
where: short stacking energy: -632.677
Base-Backbone interact. energy: -2.448
local terms energy: -678.026233
where:
bonds (distance) C4'-P energy: -110.788
bonds (distance) P-C4' energy: -124.001
flat angles C4'-P-C4' energy: -160.931
flat angles P-C4'-P energy: -98.695
tors. eta vs tors. theta energy: -183.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1978.119676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.119676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.119676 (E_RNA)
where:
Base-Base interactions energy: -1339.420
where: short stacking energy: -598.043
Base-Backbone interact. energy: -2.680
local terms energy: -636.019661
where:
bonds (distance) C4'-P energy: -120.748
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -150.271
flat angles P-C4'-P energy: -96.872
tors. eta vs tors. theta energy: -165.473
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: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1763.501169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.501169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.501169 (E_RNA)
where:
Base-Base interactions energy: -1186.693
where: short stacking energy: -511.023
Base-Backbone interact. energy: -5.113
local terms energy: -571.694973
where:
bonds (distance) C4'-P energy: -116.442
bonds (distance) P-C4' energy: -106.185
flat angles C4'-P-C4' energy: -139.470
flat angles P-C4'-P energy: -91.236
tors. eta vs tors. theta energy: -118.363
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: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1352.577060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.577060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.577060 (E_RNA)
where:
Base-Base interactions energy: -897.169
where: short stacking energy: -427.110
Base-Backbone interact. energy: 1.657
local terms energy: -457.064709
where:
bonds (distance) C4'-P energy: -106.476
bonds (distance) P-C4' energy: -105.218
flat angles C4'-P-C4' energy: -114.406
flat angles P-C4'-P energy: -54.440
tors. eta vs tors. theta energy: -76.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1214.034872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.034872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.034872 (E_RNA)
where:
Base-Base interactions energy: -768.639
where: short stacking energy: -337.494
Base-Backbone interact. energy: 1.734
local terms energy: -447.130654
where:
bonds (distance) C4'-P energy: -102.278
bonds (distance) P-C4' energy: -108.028
flat angles C4'-P-C4' energy: -113.192
flat angles P-C4'-P energy: -72.781
tors. eta vs tors. theta energy: -50.851
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: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -932.958576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.958576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.958576 (E_RNA)
where:
Base-Base interactions energy: -500.476
where: short stacking energy: -255.165
Base-Backbone interact. energy: 4.623
local terms energy: -437.105331
where:
bonds (distance) C4'-P energy: -110.240
bonds (distance) P-C4' energy: -123.898
flat angles C4'-P-C4' energy: -113.715
flat angles P-C4'-P energy: -65.629
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2573.032121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.032121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.032121 (E_RNA)
where:
Base-Base interactions energy: -1764.657
where: short stacking energy: -746.959
Base-Backbone interact. energy: -0.084
local terms energy: -808.290986
where:
bonds (distance) C4'-P energy: -149.995
bonds (distance) P-C4' energy: -139.752
flat angles C4'-P-C4' energy: -172.523
flat angles P-C4'-P energy: -114.173
tors. eta vs tors. theta energy: -231.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2545.500296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.500296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.500296 (E_RNA)
where:
Base-Base interactions energy: -1770.817
where: short stacking energy: -739.908
Base-Backbone interact. energy: -7.161
local terms energy: -767.522858
where:
bonds (distance) C4'-P energy: -135.458
bonds (distance) P-C4' energy: -149.254
flat angles C4'-P-C4' energy: -167.185
flat angles P-C4'-P energy: -113.339
tors. eta vs tors. theta energy: -202.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2427.490926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.490926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.490926 (E_RNA)
where:
Base-Base interactions energy: -1701.674
where: short stacking energy: -712.087
Base-Backbone interact. energy: -2.260
local terms energy: -723.556144
where:
bonds (distance) C4'-P energy: -130.183
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -155.537
flat angles P-C4'-P energy: -109.408
tors. eta vs tors. theta energy: -209.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2342.139495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.139495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.139495 (E_RNA)
where:
Base-Base interactions energy: -1614.188
where: short stacking energy: -707.443
Base-Backbone interact. energy: -2.034
local terms energy: -725.917760
where:
bonds (distance) C4'-P energy: -118.782
bonds (distance) P-C4' energy: -131.316
flat angles C4'-P-C4' energy: -167.525
flat angles P-C4'-P energy: -95.224
tors. eta vs tors. theta energy: -213.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2084.243002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.243002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.243002 (E_RNA)
where:
Base-Base interactions energy: -1463.856
where: short stacking energy: -618.567
Base-Backbone interact. energy: -1.911
local terms energy: -618.475387
where:
bonds (distance) C4'-P energy: -125.735
bonds (distance) P-C4' energy: -121.631
flat angles C4'-P-C4' energy: -129.140
flat angles P-C4'-P energy: -82.712
tors. eta vs tors. theta energy: -159.257
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: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2010.143398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.143398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.143398 (E_RNA)
where:
Base-Base interactions energy: -1377.579
where: short stacking energy: -627.504
Base-Backbone interact. energy: 0.123
local terms energy: -632.687068
where:
bonds (distance) C4'-P energy: -109.535
bonds (distance) P-C4' energy: -135.388
flat angles C4'-P-C4' energy: -142.610
flat angles P-C4'-P energy: -78.724
tors. eta vs tors. theta energy: -166.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1812.021024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.021024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.021024 (E_RNA)
where:
Base-Base interactions energy: -1232.994
where: short stacking energy: -522.325
Base-Backbone interact. energy: -1.944
local terms energy: -577.083036
where:
bonds (distance) C4'-P energy: -112.000
bonds (distance) P-C4' energy: -109.477
flat angles C4'-P-C4' energy: -139.294
flat angles P-C4'-P energy: -87.442
tors. eta vs tors. theta energy: -128.870
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: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1330.508739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.508739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.508739 (E_RNA)
where:
Base-Base interactions energy: -845.431
where: short stacking energy: -415.517
Base-Backbone interact. energy: -2.187
local terms energy: -482.890500
where:
bonds (distance) C4'-P energy: -114.856
bonds (distance) P-C4' energy: -119.915
flat angles C4'-P-C4' energy: -117.183
flat angles P-C4'-P energy: -69.273
tors. eta vs tors. theta energy: -61.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1230.325801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.325801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.325801 (E_RNA)
where:
Base-Base interactions energy: -795.648
where: short stacking energy: -335.042
Base-Backbone interact. energy: -2.400
local terms energy: -432.277696
where:
bonds (distance) C4'-P energy: -99.396
bonds (distance) P-C4' energy: -111.367
flat angles C4'-P-C4' energy: -131.456
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -42.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -902.522243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.522243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.522243 (E_RNA)
where:
Base-Base interactions energy: -486.247
where: short stacking energy: -259.938
Base-Backbone interact. energy: -1.125
local terms energy: -415.150069
where:
bonds (distance) C4'-P energy: -92.184
bonds (distance) P-C4' energy: -126.627
flat angles C4'-P-C4' energy: -105.582
flat angles P-C4'-P energy: -58.923
tors. eta vs tors. theta energy: -31.835
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: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2559.294835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.294835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.294835 (E_RNA)
where:
Base-Base interactions energy: -1779.816
where: short stacking energy: -744.239
Base-Backbone interact. energy: -0.979
local terms energy: -778.499829
where:
bonds (distance) C4'-P energy: -127.287
bonds (distance) P-C4' energy: -155.531
flat angles C4'-P-C4' energy: -167.008
flat angles P-C4'-P energy: -109.354
tors. eta vs tors. theta energy: -219.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2499.255777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.255777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.255777 (E_RNA)
where:
Base-Base interactions energy: -1730.223
where: short stacking energy: -760.504
Base-Backbone interact. energy: -2.903
local terms energy: -766.129612
where:
bonds (distance) C4'-P energy: -147.925
bonds (distance) P-C4' energy: -131.160
flat angles C4'-P-C4' energy: -159.620
flat angles P-C4'-P energy: -103.338
tors. eta vs tors. theta energy: -224.086
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: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2404.255478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.255478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.255478 (E_RNA)
where:
Base-Base interactions energy: -1681.285
where: short stacking energy: -728.382
Base-Backbone interact. energy: 0.514
local terms energy: -723.484657
where:
bonds (distance) C4'-P energy: -148.591
bonds (distance) P-C4' energy: -128.820
flat angles C4'-P-C4' energy: -152.934
flat angles P-C4'-P energy: -94.831
tors. eta vs tors. theta energy: -198.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2316.789023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.789023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.789023 (E_RNA)
where:
Base-Base interactions energy: -1595.212
where: short stacking energy: -702.105
Base-Backbone interact. energy: 0.012
local terms energy: -721.589242
where:
bonds (distance) C4'-P energy: -124.733
bonds (distance) P-C4' energy: -141.141
flat angles C4'-P-C4' energy: -152.959
flat angles P-C4'-P energy: -98.043
tors. eta vs tors. theta energy: -204.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2079.286207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.286207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.286207 (E_RNA)
where:
Base-Base interactions energy: -1427.004
where: short stacking energy: -608.135
Base-Backbone interact. energy: -0.784
local terms energy: -651.498257
where:
bonds (distance) C4'-P energy: -127.002
bonds (distance) P-C4' energy: -119.442
flat angles C4'-P-C4' energy: -144.643
flat angles P-C4'-P energy: -87.653
tors. eta vs tors. theta energy: -172.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1985.943496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.943496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.943496 (E_RNA)
where:
Base-Base interactions energy: -1339.411
where: short stacking energy: -606.321
Base-Backbone interact. energy: -0.189
local terms energy: -646.342595
where:
bonds (distance) C4'-P energy: -119.674
bonds (distance) P-C4' energy: -120.418
flat angles C4'-P-C4' energy: -144.020
flat angles P-C4'-P energy: -98.851
tors. eta vs tors. theta energy: -163.380
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: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1857.805468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.805468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.805468 (E_RNA)
where:
Base-Base interactions energy: -1256.229
where: short stacking energy: -520.320
Base-Backbone interact. energy: -1.287
local terms energy: -600.289428
where:
bonds (distance) C4'-P energy: -136.492
bonds (distance) P-C4' energy: -110.441
flat angles C4'-P-C4' energy: -141.488
flat angles P-C4'-P energy: -80.674
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: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1366.532740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.532740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.532740 (E_RNA)
where:
Base-Base interactions energy: -869.232
where: short stacking energy: -396.925
Base-Backbone interact. energy: -3.463
local terms energy: -493.838084
where:
bonds (distance) C4'-P energy: -110.963
bonds (distance) P-C4' energy: -120.445
flat angles C4'-P-C4' energy: -117.640
flat angles P-C4'-P energy: -69.336
tors. eta vs tors. theta energy: -75.454
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: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1226.526878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.526878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.526878 (E_RNA)
where:
Base-Base interactions energy: -776.126
where: short stacking energy: -330.974
Base-Backbone interact. energy: -0.455
local terms energy: -449.945868
where:
bonds (distance) C4'-P energy: -109.000
bonds (distance) P-C4' energy: -122.381
flat angles C4'-P-C4' energy: -93.735
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -54.830
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: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -860.251345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.251345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.251345 (E_RNA)
where:
Base-Base interactions energy: -457.924
where: short stacking energy: -245.913
Base-Backbone interact. energy: 0.360
local terms energy: -402.687111
where:
bonds (distance) C4'-P energy: -117.734
bonds (distance) P-C4' energy: -134.562
flat angles C4'-P-C4' energy: -99.711
flat angles P-C4'-P energy: -48.358
tors. eta vs tors. theta energy: -2.323
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: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2583.986051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.986051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.986051 (E_RNA)
where:
Base-Base interactions energy: -1808.828
where: short stacking energy: -744.951
Base-Backbone interact. energy: -1.087
local terms energy: -774.070853
where:
bonds (distance) C4'-P energy: -149.691
bonds (distance) P-C4' energy: -138.383
flat angles C4'-P-C4' energy: -163.805
flat angles P-C4'-P energy: -98.331
tors. eta vs tors. theta energy: -223.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2521.969559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.969559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.969559 (E_RNA)
where:
Base-Base interactions energy: -1752.384
where: short stacking energy: -780.545
Base-Backbone interact. energy: -1.320
local terms energy: -768.265541
where:
bonds (distance) C4'-P energy: -128.970
bonds (distance) P-C4' energy: -130.718
flat angles C4'-P-C4' energy: -167.402
flat angles P-C4'-P energy: -102.540
tors. eta vs tors. theta energy: -238.636
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: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2392.792442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.792442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.792442 (E_RNA)
where:
Base-Base interactions energy: -1693.183
where: short stacking energy: -711.838
Base-Backbone interact. energy: -4.965
local terms energy: -694.645007
where:
bonds (distance) C4'-P energy: -127.560
bonds (distance) P-C4' energy: -119.503
flat angles C4'-P-C4' energy: -145.147
flat angles P-C4'-P energy: -89.631
tors. eta vs tors. theta energy: -212.803
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: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2313.025024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.025024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.025024 (E_RNA)
where:
Base-Base interactions energy: -1612.693
where: short stacking energy: -697.539
Base-Backbone interact. energy: -5.375
local terms energy: -694.956725
where:
bonds (distance) C4'-P energy: -115.040
bonds (distance) P-C4' energy: -129.953
flat angles C4'-P-C4' energy: -150.554
flat angles P-C4'-P energy: -87.222
tors. eta vs tors. theta energy: -212.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2075.054930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.054930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.054930 (E_RNA)
where:
Base-Base interactions energy: -1434.390
where: short stacking energy: -597.392
Base-Backbone interact. energy: -1.246
local terms energy: -639.419007
where:
bonds (distance) C4'-P energy: -125.972
bonds (distance) P-C4' energy: -116.675
flat angles C4'-P-C4' energy: -144.420
flat angles P-C4'-P energy: -82.652
tors. eta vs tors. theta energy: -169.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1977.489890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.489890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.489890 (E_RNA)
where:
Base-Base interactions energy: -1339.466
where: short stacking energy: -592.606
Base-Backbone interact. energy: -1.917
local terms energy: -636.106575
where:
bonds (distance) C4'-P energy: -112.940
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -152.322
flat angles P-C4'-P energy: -86.079
tors. eta vs tors. theta energy: -166.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1769.944302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.944302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.944302 (E_RNA)
where:
Base-Base interactions energy: -1184.582
where: short stacking energy: -512.163
Base-Backbone interact. energy: 0.287
local terms energy: -585.649164
where:
bonds (distance) C4'-P energy: -113.000
bonds (distance) P-C4' energy: -132.191
flat angles C4'-P-C4' energy: -138.962
flat angles P-C4'-P energy: -82.907
tors. eta vs tors. theta energy: -118.589
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: 491
Temperature: 1.250000
Total energy: -1372.543013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.543013 (E_RNA)
where:
Base-Base interactions energy: -843.124
where: short stacking energy: -427.662
Base-Backbone interact. energy: -0.033
local terms energy: -529.386158
where:
bonds (distance) C4'-P energy: -121.693
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -122.502
flat angles P-C4'-P energy: -80.147
tors. eta vs tors. theta energy: -87.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1279.182408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.182408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.182408 (E_RNA)
where:
Base-Base interactions energy: -770.842
where: short stacking energy: -353.052
Base-Backbone interact. energy: -2.024
local terms energy: -506.316646
where:
bonds (distance) C4'-P energy: -108.852
bonds (distance) P-C4' energy: -119.539
flat angles C4'-P-C4' energy: -128.373
flat angles P-C4'-P energy: -78.659
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -859.584732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.584732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.584732 (E_RNA)
where:
Base-Base interactions energy: -474.356
where: short stacking energy: -244.461
Base-Backbone interact. energy: -0.058
local terms energy: -385.170633
where:
bonds (distance) C4'-P energy: -111.671
bonds (distance) P-C4' energy: -114.741
flat angles C4'-P-C4' energy: -116.252
flat angles P-C4'-P energy: -46.531
tors. eta vs tors. theta energy: 4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2608.708827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.708827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.708827 (E_RNA)
where:
Base-Base interactions energy: -1816.364
where: short stacking energy: -749.077
Base-Backbone interact. energy: -1.033
local terms energy: -791.312020
where:
bonds (distance) C4'-P energy: -151.012
bonds (distance) P-C4' energy: -146.671
flat angles C4'-P-C4' energy: -158.281
flat angles P-C4'-P energy: -113.697
tors. eta vs tors. theta energy: -221.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2499.896427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.896427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.896427 (E_RNA)
where:
Base-Base interactions energy: -1729.748
where: short stacking energy: -721.461
Base-Backbone interact. energy: -2.266
local terms energy: -767.882394
where:
bonds (distance) C4'-P energy: -132.747
bonds (distance) P-C4' energy: -144.329
flat angles C4'-P-C4' energy: -168.567
flat angles P-C4'-P energy: -101.736
tors. eta vs tors. theta energy: -220.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2403.282538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.282538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.282538 (E_RNA)
where:
Base-Base interactions energy: -1655.304
where: short stacking energy: -712.080
Base-Backbone interact. energy: -3.372
local terms energy: -744.606878
where:
bonds (distance) C4'-P energy: -126.291
bonds (distance) P-C4' energy: -145.879
flat angles C4'-P-C4' energy: -155.269
flat angles P-C4'-P energy: -102.644
tors. eta vs tors. theta energy: -214.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2282.325069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.325069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.325069 (E_RNA)
where:
Base-Base interactions energy: -1565.489
where: short stacking energy: -671.996
Base-Backbone interact. energy: -3.379
local terms energy: -713.457130
where:
bonds (distance) C4'-P energy: -138.792
bonds (distance) P-C4' energy: -132.630
flat angles C4'-P-C4' energy: -150.685
flat angles P-C4'-P energy: -95.216
tors. eta vs tors. theta energy: -196.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2116.925529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.925529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.925529 (E_RNA)
where:
Base-Base interactions energy: -1439.651
where: short stacking energy: -603.641
Base-Backbone interact. energy: -1.859
local terms energy: -675.416155
where:
bonds (distance) C4'-P energy: -126.293
bonds (distance) P-C4' energy: -116.265
flat angles C4'-P-C4' energy: -135.269
flat angles P-C4'-P energy: -113.932
tors. eta vs tors. theta energy: -183.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1966.393174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.393174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.393174 (E_RNA)
where:
Base-Base interactions energy: -1343.484
where: short stacking energy: -583.668
Base-Backbone interact. energy: -3.442
local terms energy: -619.467994
where:
bonds (distance) C4'-P energy: -131.725
bonds (distance) P-C4' energy: -102.610
flat angles C4'-P-C4' energy: -144.130
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -161.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1858.114751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.114751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.114751 (E_RNA)
where:
Base-Base interactions energy: -1291.387
where: short stacking energy: -565.650
Base-Backbone interact. energy: 7.226
local terms energy: -573.954034
where:
bonds (distance) C4'-P energy: -126.939
bonds (distance) P-C4' energy: -99.743
flat angles C4'-P-C4' energy: -123.708
flat angles P-C4'-P energy: -91.870
tors. eta vs tors. theta energy: -131.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1367.732810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.732810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.732810 (E_RNA)
where:
Base-Base interactions energy: -840.812
where: short stacking energy: -396.142
Base-Backbone interact. energy: 2.681
local terms energy: -529.601338
where:
bonds (distance) C4'-P energy: -126.226
bonds (distance) P-C4' energy: -128.622
flat angles C4'-P-C4' energy: -125.950
flat angles P-C4'-P energy: -75.421
tors. eta vs tors. theta energy: -73.382
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: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1309.062344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.062344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.062344 (E_RNA)
where:
Base-Base interactions energy: -842.084
where: short stacking energy: -367.461
Base-Backbone interact. energy: -2.149
local terms energy: -464.829417
where:
bonds (distance) C4'-P energy: -123.220
bonds (distance) P-C4' energy: -107.294
flat angles C4'-P-C4' energy: -113.001
flat angles P-C4'-P energy: -57.260
tors. eta vs tors. theta energy: -64.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -897.158552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.158552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.158552 (E_RNA)
where:
Base-Base interactions energy: -478.177
where: short stacking energy: -265.594
Base-Backbone interact. energy: -1.117
local terms energy: -417.864616
where:
bonds (distance) C4'-P energy: -111.931
bonds (distance) P-C4' energy: -130.488
flat angles C4'-P-C4' energy: -93.517
flat angles P-C4'-P energy: -61.847
tors. eta vs tors. theta energy: -20.081
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: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2600.773442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.773442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.773442 (E_RNA)
where:
Base-Base interactions energy: -1824.201
where: short stacking energy: -761.260
Base-Backbone interact. energy: -3.821
local terms energy: -772.751551
where:
bonds (distance) C4'-P energy: -141.010
bonds (distance) P-C4' energy: -152.067
flat angles C4'-P-C4' energy: -170.134
flat angles P-C4'-P energy: -98.596
tors. eta vs tors. theta energy: -210.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2520.403153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.403153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.403153 (E_RNA)
where:
Base-Base interactions energy: -1738.906
where: short stacking energy: -720.697
Base-Backbone interact. energy: -2.004
local terms energy: -779.492852
where:
bonds (distance) C4'-P energy: -138.851
bonds (distance) P-C4' energy: -147.897
flat angles C4'-P-C4' energy: -158.555
flat angles P-C4'-P energy: -115.460
tors. eta vs tors. theta energy: -218.729
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: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2420.125702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.125702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.125702 (E_RNA)
where:
Base-Base interactions energy: -1657.716
where: short stacking energy: -720.302
Base-Backbone interact. energy: -3.648
local terms energy: -758.761755
where:
bonds (distance) C4'-P energy: -132.681
bonds (distance) P-C4' energy: -133.733
flat angles C4'-P-C4' energy: -162.540
flat angles P-C4'-P energy: -103.518
tors. eta vs tors. theta energy: -226.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2321.031560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.031560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.031560 (E_RNA)
where:
Base-Base interactions energy: -1591.635
where: short stacking energy: -689.223
Base-Backbone interact. energy: -0.901
local terms energy: -728.495188
where:
bonds (distance) C4'-P energy: -136.638
bonds (distance) P-C4' energy: -127.862
flat angles C4'-P-C4' energy: -154.339
flat angles P-C4'-P energy: -109.169
tors. eta vs tors. theta energy: -200.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2209.507815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.507815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.507815 (E_RNA)
where:
Base-Base interactions energy: -1541.258
where: short stacking energy: -640.104
Base-Backbone interact. energy: 1.998
local terms energy: -670.248406
where:
bonds (distance) C4'-P energy: -113.407
bonds (distance) P-C4' energy: -129.679
flat angles C4'-P-C4' energy: -155.606
flat angles P-C4'-P energy: -89.688
tors. eta vs tors. theta energy: -181.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1885.750878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.750878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.750878 (E_RNA)
where:
Base-Base interactions energy: -1258.817
where: short stacking energy: -552.674
Base-Backbone interact. energy: -4.075
local terms energy: -622.858562
where:
bonds (distance) C4'-P energy: -118.920
bonds (distance) P-C4' energy: -122.839
flat angles C4'-P-C4' energy: -142.594
flat angles P-C4'-P energy: -88.459
tors. eta vs tors. theta energy: -150.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1814.630971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.630971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.630971 (E_RNA)
where:
Base-Base interactions energy: -1240.142
where: short stacking energy: -517.253
Base-Backbone interact. energy: -1.991
local terms energy: -572.498221
where:
bonds (distance) C4'-P energy: -105.375
bonds (distance) P-C4' energy: -126.299
flat angles C4'-P-C4' energy: -133.956
flat angles P-C4'-P energy: -88.822
tors. eta vs tors. theta energy: -118.046
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: 493
Temperature: 1.250000
Total energy: -1414.242528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.242528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.242528 (E_RNA)
where:
Base-Base interactions energy: -862.136
where: short stacking energy: -392.775
Base-Backbone interact. energy: -3.644
local terms energy: -548.462662
where:
bonds (distance) C4'-P energy: -129.879
bonds (distance) P-C4' energy: -131.880
flat angles C4'-P-C4' energy: -124.325
flat angles P-C4'-P energy: -74.639
tors. eta vs tors. theta energy: -87.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1274.655291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.655291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.655291 (E_RNA)
where:
Base-Base interactions energy: -799.647
where: short stacking energy: -352.386
Base-Backbone interact. energy: 3.236
local terms energy: -478.245067
where:
bonds (distance) C4'-P energy: -107.596
bonds (distance) P-C4' energy: -131.523
flat angles C4'-P-C4' energy: -116.769
flat angles P-C4'-P energy: -57.844
tors. eta vs tors. theta energy: -64.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -928.961587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.961587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.961587 (E_RNA)
where:
Base-Base interactions energy: -491.449
where: short stacking energy: -268.384
Base-Backbone interact. energy: -0.281
local terms energy: -437.231700
where:
bonds (distance) C4'-P energy: -107.802
bonds (distance) P-C4' energy: -118.084
flat angles C4'-P-C4' energy: -120.187
flat angles P-C4'-P energy: -68.961
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: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2603.876110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.876110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.876110 (E_RNA)
where:
Base-Base interactions energy: -1848.322
where: short stacking energy: -755.318
Base-Backbone interact. energy: 2.777
local terms energy: -758.331231
where:
bonds (distance) C4'-P energy: -141.291
bonds (distance) P-C4' energy: -130.693
flat angles C4'-P-C4' energy: -157.247
flat angles P-C4'-P energy: -103.473
tors. eta vs tors. theta energy: -225.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2512.775341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.775341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.775341 (E_RNA)
where:
Base-Base interactions energy: -1760.173
where: short stacking energy: -748.240
Base-Backbone interact. energy: -0.474
local terms energy: -752.128084
where:
bonds (distance) C4'-P energy: -127.556
bonds (distance) P-C4' energy: -138.087
flat angles C4'-P-C4' energy: -166.390
flat angles P-C4'-P energy: -103.667
tors. eta vs tors. theta energy: -216.428
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: 3, replica: 3
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2449.271559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.271559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.271559 (E_RNA)
where:
Base-Base interactions energy: -1695.881
where: short stacking energy: -727.494
Base-Backbone interact. energy: -0.303
local terms energy: -753.088062
where:
bonds (distance) C4'-P energy: -140.344
bonds (distance) P-C4' energy: -134.473
flat angles C4'-P-C4' energy: -160.075
flat angles P-C4'-P energy: -101.316
tors. eta vs tors. theta energy: -216.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2320.973275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.973275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.973275 (E_RNA)
where:
Base-Base interactions energy: -1617.816
where: short stacking energy: -693.406
Base-Backbone interact. energy: -1.243
local terms energy: -701.914851
where:
bonds (distance) C4'-P energy: -109.552
bonds (distance) P-C4' energy: -133.429
flat angles C4'-P-C4' energy: -147.295
flat angles P-C4'-P energy: -104.806
tors. eta vs tors. theta energy: -206.832
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: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2177.785289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.785289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.785289 (E_RNA)
where:
Base-Base interactions energy: -1511.882
where: short stacking energy: -649.078
Base-Backbone interact. energy: -1.805
local terms energy: -664.098707
where:
bonds (distance) C4'-P energy: -120.943
bonds (distance) P-C4' energy: -129.996
flat angles C4'-P-C4' energy: -140.680
flat angles P-C4'-P energy: -90.760
tors. eta vs tors. theta energy: -181.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1966.454070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.454070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.454070 (E_RNA)
where:
Base-Base interactions energy: -1329.863
where: short stacking energy: -568.405
Base-Backbone interact. energy: -1.658
local terms energy: -634.933049
where:
bonds (distance) C4'-P energy: -121.218
bonds (distance) P-C4' energy: -135.190
flat angles C4'-P-C4' energy: -129.004
flat angles P-C4'-P energy: -97.089
tors. eta vs tors. theta energy: -152.433
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: 494
Temperature: 1.200000
Total energy: -1823.932828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.932828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.932828 (E_RNA)
where:
Base-Base interactions energy: -1229.787
where: short stacking energy: -510.170
Base-Backbone interact. energy: -4.101
local terms energy: -590.044818
where:
bonds (distance) C4'-P energy: -116.446
bonds (distance) P-C4' energy: -122.511
flat angles C4'-P-C4' energy: -143.181
flat angles P-C4'-P energy: -83.676
tors. eta vs tors. theta energy: -124.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1481.914805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.914805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.914805 (E_RNA)
where:
Base-Base interactions energy: -937.504
where: short stacking energy: -425.358
Base-Backbone interact. energy: -1.480
local terms energy: -542.930131
where:
bonds (distance) C4'-P energy: -121.542
bonds (distance) P-C4' energy: -109.989
flat angles C4'-P-C4' energy: -113.472
flat angles P-C4'-P energy: -94.789
tors. eta vs tors. theta energy: -103.138
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: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1293.155258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.155258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.155258 (E_RNA)
where:
Base-Base interactions energy: -848.703
where: short stacking energy: -356.658
Base-Backbone interact. energy: -0.134
local terms energy: -444.318649
where:
bonds (distance) C4'-P energy: -108.336
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -114.532
flat angles P-C4'-P energy: -48.330
tors. eta vs tors. theta energy: -61.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -912.722589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.722589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.722589 (E_RNA)
where:
Base-Base interactions energy: -524.461
where: short stacking energy: -243.235
Base-Backbone interact. energy: -1.773
local terms energy: -386.487858
where:
bonds (distance) C4'-P energy: -119.809
bonds (distance) P-C4' energy: -131.289
flat angles C4'-P-C4' energy: -97.984
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: 5.402
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: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2610.933964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.933964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.933964 (E_RNA)
where:
Base-Base interactions energy: -1832.339
where: short stacking energy: -739.750
Base-Backbone interact. energy: -1.460
local terms energy: -777.135851
where:
bonds (distance) C4'-P energy: -126.160
bonds (distance) P-C4' energy: -148.965
flat angles C4'-P-C4' energy: -166.298
flat angles P-C4'-P energy: -125.828
tors. eta vs tors. theta energy: -209.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2511.960945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.960945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.960945 (E_RNA)
where:
Base-Base interactions energy: -1752.797
where: short stacking energy: -737.621
Base-Backbone interact. energy: 2.227
local terms energy: -761.390606
where:
bonds (distance) C4'-P energy: -131.147
bonds (distance) P-C4' energy: -150.561
flat angles C4'-P-C4' energy: -162.881
flat angles P-C4'-P energy: -103.869
tors. eta vs tors. theta energy: -212.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2450.253027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.253027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.253027 (E_RNA)
where:
Base-Base interactions energy: -1686.468
where: short stacking energy: -734.737
Base-Backbone interact. energy: -2.490
local terms energy: -761.294684
where:
bonds (distance) C4'-P energy: -116.805
bonds (distance) P-C4' energy: -135.699
flat angles C4'-P-C4' energy: -166.616
flat angles P-C4'-P energy: -114.231
tors. eta vs tors. theta energy: -227.943
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: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2349.024463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.024463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.024463 (E_RNA)
where:
Base-Base interactions energy: -1659.119
where: short stacking energy: -702.684
Base-Backbone interact. energy: 3.144
local terms energy: -693.049393
where:
bonds (distance) C4'-P energy: -117.602
bonds (distance) P-C4' energy: -120.201
flat angles C4'-P-C4' energy: -140.298
flat angles P-C4'-P energy: -106.254
tors. eta vs tors. theta energy: -208.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2226.645295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.645295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.645295 (E_RNA)
where:
Base-Base interactions energy: -1540.226
where: short stacking energy: -653.182
Base-Backbone interact. energy: -3.409
local terms energy: -683.010740
where:
bonds (distance) C4'-P energy: -124.553
bonds (distance) P-C4' energy: -133.851
flat angles C4'-P-C4' energy: -138.625
flat angles P-C4'-P energy: -90.883
tors. eta vs tors. theta energy: -195.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2005.223969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.223969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.223969 (E_RNA)
where:
Base-Base interactions energy: -1383.218
where: short stacking energy: -609.600
Base-Backbone interact. energy: -1.727
local terms energy: -620.278348
where:
bonds (distance) C4'-P energy: -110.296
bonds (distance) P-C4' energy: -117.603
flat angles C4'-P-C4' energy: -130.941
flat angles P-C4'-P energy: -95.129
tors. eta vs tors. theta energy: -166.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1846.848451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.848451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.848451 (E_RNA)
where:
Base-Base interactions energy: -1271.053
where: short stacking energy: -527.460
Base-Backbone interact. energy: 0.763
local terms energy: -576.558858
where:
bonds (distance) C4'-P energy: -117.334
bonds (distance) P-C4' energy: -123.649
flat angles C4'-P-C4' energy: -130.901
flat angles P-C4'-P energy: -83.973
tors. eta vs tors. theta energy: -120.702
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: 6
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1424.798918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.798918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.798918 (E_RNA)
where:
Base-Base interactions energy: -933.663
where: short stacking energy: -419.618
Base-Backbone interact. energy: -1.127
local terms energy: -490.009315
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -127.578
flat angles C4'-P-C4' energy: -109.682
flat angles P-C4'-P energy: -63.780
tors. eta vs tors. theta energy: -85.334
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: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1312.263777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.263777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.263777 (E_RNA)
where:
Base-Base interactions energy: -855.009
where: short stacking energy: -369.334
Base-Backbone interact. energy: 5.649
local terms energy: -462.904361
where:
bonds (distance) C4'-P energy: -89.762
bonds (distance) P-C4' energy: -128.772
flat angles C4'-P-C4' energy: -97.498
flat angles P-C4'-P energy: -79.031
tors. eta vs tors. theta energy: -67.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -934.953601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.953601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.953601 (E_RNA)
where:
Base-Base interactions energy: -484.941
where: short stacking energy: -274.857
Base-Backbone interact. energy: -0.102
local terms energy: -449.909983
where:
bonds (distance) C4'-P energy: -132.333
bonds (distance) P-C4' energy: -113.177
flat angles C4'-P-C4' energy: -112.320
flat angles P-C4'-P energy: -75.526
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2623.985940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.985940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.985940 (E_RNA)
where:
Base-Base interactions energy: -1865.969
where: short stacking energy: -775.187
Base-Backbone interact. energy: -0.924
local terms energy: -757.093122
where:
bonds (distance) C4'-P energy: -137.080
bonds (distance) P-C4' energy: -137.978
flat angles C4'-P-C4' energy: -164.415
flat angles P-C4'-P energy: -99.032
tors. eta vs tors. theta energy: -218.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2512.128768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.128768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.128768 (E_RNA)
where:
Base-Base interactions energy: -1741.213
where: short stacking energy: -720.012
Base-Backbone interact. energy: -4.355
local terms energy: -766.560059
where:
bonds (distance) C4'-P energy: -140.245
bonds (distance) P-C4' energy: -147.031
flat angles C4'-P-C4' energy: -163.058
flat angles P-C4'-P energy: -105.881
tors. eta vs tors. theta energy: -210.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2416.438771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.438771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.438771 (E_RNA)
where:
Base-Base interactions energy: -1626.253
where: short stacking energy: -715.993
Base-Backbone interact. energy: -0.752
local terms energy: -789.434163
where:
bonds (distance) C4'-P energy: -158.525
bonds (distance) P-C4' energy: -147.964
flat angles C4'-P-C4' energy: -157.342
flat angles P-C4'-P energy: -102.719
tors. eta vs tors. theta energy: -222.884
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: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2391.940189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.940189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.940189 (E_RNA)
where:
Base-Base interactions energy: -1659.756
where: short stacking energy: -727.493
Base-Backbone interact. energy: -2.277
local terms energy: -729.906654
where:
bonds (distance) C4'-P energy: -116.109
bonds (distance) P-C4' energy: -134.392
flat angles C4'-P-C4' energy: -153.296
flat angles P-C4'-P energy: -93.266
tors. eta vs tors. theta energy: -232.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2263.945579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.945579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.945579 (E_RNA)
where:
Base-Base interactions energy: -1565.795
where: short stacking energy: -647.685
Base-Backbone interact. energy: -1.802
local terms energy: -696.347593
where:
bonds (distance) C4'-P energy: -133.124
bonds (distance) P-C4' energy: -129.880
flat angles C4'-P-C4' energy: -153.982
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -188.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1990.651595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.651595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.651595 (E_RNA)
where:
Base-Base interactions energy: -1358.871
where: short stacking energy: -575.651
Base-Backbone interact. energy: 1.516
local terms energy: -633.296858
where:
bonds (distance) C4'-P energy: -128.997
bonds (distance) P-C4' energy: -120.716
flat angles C4'-P-C4' energy: -133.882
flat angles P-C4'-P energy: -95.209
tors. eta vs tors. theta energy: -154.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1867.853536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.853536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.853536 (E_RNA)
where:
Base-Base interactions energy: -1259.626
where: short stacking energy: -544.222
Base-Backbone interact. energy: 5.868
local terms energy: -614.095162
where:
bonds (distance) C4'-P energy: -123.986
bonds (distance) P-C4' energy: -126.339
flat angles C4'-P-C4' energy: -144.287
flat angles P-C4'-P energy: -78.891
tors. eta vs tors. theta energy: -140.593
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: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1454.419974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.419974 (E_RNA)
where:
Base-Base interactions energy: -913.674
where: short stacking energy: -427.783
Base-Backbone interact. energy: 0.244
local terms energy: -540.990241
where:
bonds (distance) C4'-P energy: -117.079
bonds (distance) P-C4' energy: -114.215
flat angles C4'-P-C4' energy: -140.100
flat angles P-C4'-P energy: -64.167
tors. eta vs tors. theta energy: -105.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1280.949641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.949641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.949641 (E_RNA)
where:
Base-Base interactions energy: -830.314
where: short stacking energy: -342.058
Base-Backbone interact. energy: -2.180
local terms energy: -448.455622
where:
bonds (distance) C4'-P energy: -85.982
bonds (distance) P-C4' energy: -133.599
flat angles C4'-P-C4' energy: -109.917
flat angles P-C4'-P energy: -63.242
tors. eta vs tors. theta energy: -55.717
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: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -891.828211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.828211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.828211 (E_RNA)
where:
Base-Base interactions energy: -504.096
where: short stacking energy: -244.191
Base-Backbone interact. energy: 0.767
local terms energy: -388.499803
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -107.305
flat angles C4'-P-C4' energy: -102.009
flat angles P-C4'-P energy: -63.910
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2597.158199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.158199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.158199 (E_RNA)
where:
Base-Base interactions energy: -1820.178
where: short stacking energy: -749.604
Base-Backbone interact. energy: -1.005
local terms energy: -775.974863
where:
bonds (distance) C4'-P energy: -136.780
bonds (distance) P-C4' energy: -145.419
flat angles C4'-P-C4' energy: -163.563
flat angles P-C4'-P energy: -109.167
tors. eta vs tors. theta energy: -221.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2510.876312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.876312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.876312 (E_RNA)
where:
Base-Base interactions energy: -1742.376
where: short stacking energy: -743.421
Base-Backbone interact. energy: -4.671
local terms energy: -763.829710
where:
bonds (distance) C4'-P energy: -134.579
bonds (distance) P-C4' energy: -154.277
flat angles C4'-P-C4' energy: -162.201
flat angles P-C4'-P energy: -98.975
tors. eta vs tors. theta energy: -213.798
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: 497
Temperature: 1.000000
Total energy: -2389.880691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.880691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.880691 (E_RNA)
where:
Base-Base interactions energy: -1646.393
where: short stacking energy: -697.763
Base-Backbone interact. energy: -0.474
local terms energy: -743.013899
where:
bonds (distance) C4'-P energy: -111.560
bonds (distance) P-C4' energy: -150.918
flat angles C4'-P-C4' energy: -169.775
flat angles P-C4'-P energy: -97.614
tors. eta vs tors. theta energy: -213.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2393.644967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.644967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.644967 (E_RNA)
where:
Base-Base interactions energy: -1659.910
where: short stacking energy: -699.658
Base-Backbone interact. energy: 2.608
local terms energy: -736.343626
where:
bonds (distance) C4'-P energy: -107.614
bonds (distance) P-C4' energy: -142.971
flat angles C4'-P-C4' energy: -157.912
flat angles P-C4'-P energy: -103.031
tors. eta vs tors. theta energy: -224.816
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: 497
Temperature: 1.100000
Total energy: -2191.571384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.571384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.571384 (E_RNA)
where:
Base-Base interactions energy: -1483.702
where: short stacking energy: -636.105
Base-Backbone interact. energy: 0.976
local terms energy: -708.845593
where:
bonds (distance) C4'-P energy: -142.538
bonds (distance) P-C4' energy: -125.111
flat angles C4'-P-C4' energy: -148.447
flat angles P-C4'-P energy: -97.496
tors. eta vs tors. theta energy: -195.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1938.230045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.230045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.230045 (E_RNA)
where:
Base-Base interactions energy: -1318.289
where: short stacking energy: -577.229
Base-Backbone interact. energy: -1.596
local terms energy: -618.344372
where:
bonds (distance) C4'-P energy: -105.539
bonds (distance) P-C4' energy: -121.489
flat angles C4'-P-C4' energy: -153.385
flat angles P-C4'-P energy: -81.722
tors. eta vs tors. theta energy: -156.210
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: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1822.533970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.533970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.533970 (E_RNA)
where:
Base-Base interactions energy: -1267.225
where: short stacking energy: -521.155
Base-Backbone interact. energy: -2.261
local terms energy: -553.048727
where:
bonds (distance) C4'-P energy: -114.339
bonds (distance) P-C4' energy: -106.915
flat angles C4'-P-C4' energy: -139.455
flat angles P-C4'-P energy: -72.968
tors. eta vs tors. theta energy: -119.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1392.439876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.439876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.439876 (E_RNA)
where:
Base-Base interactions energy: -863.316
where: short stacking energy: -411.563
Base-Backbone interact. energy: -0.333
local terms energy: -528.790961
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -108.435
flat angles C4'-P-C4' energy: -136.455
flat angles P-C4'-P energy: -76.888
tors. eta vs tors. theta energy: -92.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1273.065876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.065876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.065876 (E_RNA)
where:
Base-Base interactions energy: -800.738
where: short stacking energy: -353.303
Base-Backbone interact. energy: -1.873
local terms energy: -470.454972
where:
bonds (distance) C4'-P energy: -111.812
bonds (distance) P-C4' energy: -107.833
flat angles C4'-P-C4' energy: -121.399
flat angles P-C4'-P energy: -78.326
tors. eta vs tors. theta energy: -51.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -922.241024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.241024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.241024 (E_RNA)
where:
Base-Base interactions energy: -495.013
where: short stacking energy: -247.432
Base-Backbone interact. energy: -4.262
local terms energy: -422.966182
where:
bonds (distance) C4'-P energy: -96.994
bonds (distance) P-C4' energy: -124.781
flat angles C4'-P-C4' energy: -108.315
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)